#DEFINITION	Reference Metabolome for Oryza sativa
#IDENTTFIER	RefMeta-Oryza sativa.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Oryza sativa
#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 Oryza sativa 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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
51.02380	1.0
53.03953	4.0
57.03426	0.3
58.06593	0.1
59.06120	2.8
60.04530	2.0
61.02924	0.3
61.04043	0.6
62.03257	0.3
71.02972	0.5
72.04506	0.1
77.03922	2.1
78.88741	0.1
80.03513	0.2
81.03420	0.6
85.02899	0.7
85.05921	0.1
85.07661	0.2
86.03236	0.2
86.06059	0.7
95.04958	21.7
100.02458	0.2
102.04685	2.1
103.05462	100.0
105.04506	7.2
122.89243	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	104.1072
Annotation	Choline
Peak:m/z	Relative Intensity
50.57174	0.1
55.45161	0.1
58.06590	1.4
59.07367	0.5
60.08157	15.2
62.59694	0.1
68.98449	0.1
69.03408	0.3
69.95217	0.1
86.06060	0.3
87.04460	0.8
90.29051	0.1
104.10726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.2
51.02378	1.1
51.27732	0.1
53.03947	11.5
55.01868	0.9
59.89836	0.1
77.03915	10.2
79.05476	0.2
81.03402	2.2
81.04129	0.1
95.04948	89.6
103.05480	0.2
105.03379	100.0
105.04459	36.3
105.06949	1.9
105.11055	2.0
106.04147	0.1
118.06530	0.5
118.24214	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02377	0.6
53.03943	1.3
53.44936	0.1
56.96564	0.5
60.76577	0.1
65.03930	0.2
75.69905	0.1
77.03918	0.9
79.05478	100.0
84.01538	0.9
91.05450	1.5
93.02055	0.2
95.04941	7.5
105.04485	2.2
105.06992	0.5
107.04932	22.5
107.06105	0.7
107.08564	1.8
109.06480	0.5
119.06044	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	110.0602
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
53.03935	0.1
54.04284	0.2
55.05497	0.2
56.05010	0.2
65.03927	0.5
67.04224	0.5
67.05479	0.4
68.05010	0.2
68.05806	0.5
69.03412	0.1
69.04534	0.5
78.71074	0.1
80.05001	1.5
81.04507	0.1
82.01160	0.2
82.03716	0.4
82.06561	2.7
82.07337	0.2
83.06084	2.0
87.00465	3.6
87.04234	0.1
89.52319	0.2
90.00060	0.1
92.04984	0.7
93.04494	1.4
93.05751	1.0
96.00803	0.5
98.51183	0.1
100.50503	0.4
110.06010	100.0
110.07069	4.8
110.09631	0.9
110.10432	0.5
112.03915	0.2
113.96378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0716
Annotation	4-Pyrimidine Methanamine (hydrochloride)
Peak:m/z	Relative Intensity
55.78275	0.6
56.05028	4.1
79.94469	0.8
81.04518	3.2
82.02389	0.6
82.05290	1.3
83.06100	40.6
86.50611	1.7
87.00401	2.1
87.04274	1.2
93.04517	25.7
109.91704	5.5
110.07156	100.0
128.12236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69968	0.6
54.03474	16.6
55.01881	0.9
55.05515	1.5
56.05034	3.2
58.06587	4.1
59.06116	1.2
59.64517	0.6
60.04522	10.3
67.05503	4.1
68.05019	4.6
69.03413	0.9
69.04532	1.5
69.99319	0.6
70.02961	1.6
70.06590	24.4
71.01363	0.7
71.04991	1.3
71.06104	5.6
71.06919	1.4
72.04519	7.8
72.08141	4.4
83.06100	89.7
85.07662	6.8
86.06063	3.6
89.70051	0.6
90.00139	0.8
92.17445	0.9
95.04967	0.9
95.06085	15.6
95.08605	3.2
96.04467	1.5
96.06470	0.8
96.08116	18.5
99.00640	1.2
113.00010	100.0
113.02360	43.5
113.03475	11.6
113.04568	2.7
113.05994	6.2
113.07123	29.6
113.08369	1.9
113.09016	9.6
113.09563	1.2
113.09755	1.3
113.10751	23.0
113.11545	0.8
125.02825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0346
Annotation	Uracil
Peak:m/z	Relative Intensity
53.00291	0.2
54.03456	0.2
55.01852	0.6
57.03420	0.9
58.06592	0.2
67.01857	1.1
67.05496	2.2
68.01361	0.2
68.05013	0.6
70.02936	25.1
70.06573	0.3
71.01314	0.1
71.04983	1.7
71.06895	0.2
71.94091	1.3
71.94419	0.1
79.02180	0.2
81.01847	0.2
81.04511	0.4
82.00739	0.2
82.01214	1.1
82.51196	2.7
83.01000	0.8
85.02876	0.2
85.06515	0.6
85.07650	0.2
89.52312	2.7
89.95089	0.2
90.02360	9.6
90.52168	3.1
91.01694	0.3
91.51734	1.1
92.01534	0.3
95.02422	1.8
95.04939	1.6
95.06058	0.2
95.08587	0.6
96.00826	16.3
96.04459	0.2
96.08095	0.6
98.52798	0.3
99.00620	0.7
99.02837	1.4
99.52679	0.4
112.02170	0.3
113.00014	2.4
113.02337	23.6
113.03456	100.0
113.06005	1.7
113.07080	1.8
113.10725	2.4
114.05462	0.2
128.63234	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	114.0915
Annotation	DMPO
Peak:m/z	Relative Intensity
54.84121	0.1
54.99281	0.1
55.01855	0.2
55.05489	0.3
55.57367	0.1
56.13957	0.1
56.32507	0.1
62.82649	0.1
63.71089	0.1
67.05499	0.4
68.05006	0.6
69.06699	0.2
69.07056	3.5
70.06590	0.1
71.02972	3.3
71.04973	0.2
71.08617	0.4
72.08147	0.4
72.93773	0.2
79.05032	0.2
79.05480	5.0
80.03497	2.4
80.14258	0.1
82.53748	0.6
84.08144	0.1
86.09688	0.4
89.03967	0.1
91.00165	0.1
91.54269	0.2
96.08112	4.0
97.06509	1.3
114.09145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.96554	1.8
57.03436	20.1
58.02951	6.8
59.04992	9.0
59.06115	1.5
61.02900	1.3
64.28259	0.9
66.27798	1.1
69.03423	13.8
71.01315	1.0
71.04989	13.7
71.06907	5.7
71.08635	1.0
72.04510	90.6
73.02917	2.1
74.06089	1.1
74.09706	7.0
75.05592	29.3
76.03996	100.0
81.07052	4.3
85.18800	1.0
86.56300	1.1
89.03909	1.8
91.05461	1.1
98.97586	4.4
98.98416	1.2
99.04465	4.4
99.08115	2.2
100.07612	5.7
116.42741	1.3
116.98615	2.6
117.05522	6.1
117.06950	10.1
117.10253	8.3
134.99631	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63042	0.1
53.03942	0.7
54.05619	0.1
55.05504	0.3
58.06326	0.3
58.06601	6.9
59.07099	0.3
59.07381	6.4
60.05331	0.2
72.04497	0.3
72.08150	7.2
74.02424	0.2
76.03998	0.3
76.07694	0.1
94.94416	0.2
95.04961	3.7
100.07587	0.3
105.04513	0.9
118.06532	9.0
118.08647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
56.96560	0.6
58.06578	3.0
58.96141	0.5
58.99837	0.4
59.07357	2.0
66.78473	0.4
72.08142	6.6
76.03987	0.6
76.93338	0.4
79.02173	0.9
82.01427	2.5
83.52375	0.5
86.00412	5.6
87.49752	0.5
91.05466	6.9
95.00934	8.7
100.02467	12.4
106.51707	1.9
109.39516	0.5
118.03516	3.7
118.06522	100.0
118.08628	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	118.0862
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03956	0.2
55.05507	8.6
55.05776	0.3
57.05818	0.3
57.19732	0.2
58.06588	4.4
59.07374	5.2
59.07656	0.3
72.08141	100.0
96.64147	0.2
103.43253	0.2
109.69968	0.2
118.08627	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	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.26941	0.4
55.62371	0.5
56.05013	0.6
59.06116	6.9
59.06899	0.4
72.08140	0.4
74.05695	0.5
74.06049	7.0
75.05544	0.4
76.03989	0.4
77.03515	6.8
79.05453	2.2
87.05524	1.7
91.05460	35.1
93.07000	0.6
95.04910	0.6
103.05418	2.8
104.06194	2.7
117.07004	7.1
119.04916	7.9
119.05982	1.8
119.08516	100.0
137.84239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70197	0.4
62.46215	0.4
62.82718	0.3
79.02175	3.0
85.49281	0.4
91.05437	2.6
93.07005	6.7
95.04946	0.8
98.72362	0.4
103.04726	0.6
103.05437	22.9
120.08060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28074	0.5
65.03938	15.7
67.05495	0.6
79.05483	0.8
80.05000	1.1
81.04527	5.5
82.98741	0.6
85.43729	0.5
91.05485	0.5
93.03384	6.1
93.07012	3.9
95.04927	0.7
111.04410	5.2
120.05567	2.8
121.02840	100.0
121.03921	9.3
121.06422	5.6
121.07601	5.3
121.10138	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	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
57.30607	0.8
61.01146	0.7
63.99853	2.1
65.00631	1.4
65.03947	14.3
67.05493	1.5
76.24690	0.8
79.02188	21.6
79.05479	11.5
80.02109	5.8
80.02523	16.0
84.81764	0.9
86.00369	1.0
89.00227	1.0
89.16696	0.8
91.05481	12.0
93.03411	1.5
93.07026	34.3
95.04940	6.6
98.00726	1.9
103.05466	6.4
104.05792	4.5
105.04522	1.2
105.07021	2.1
111.04437	13.3
114.72697	1.0
116.02161	0.9
121.02859	100.0
121.03965	22.3
121.04794	2.8
121.06506	38.0
121.07484	1.6
121.07654	1.7
121.08411	21.2
121.10112	18.6
121.64048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
53.29298	0.8
53.48940	0.9
55.05515	1.5
58.33670	1.0
63.99833	1.3
64.73383	1.0
65.03939	12.9
67.05493	1.0
76.94626	0.9
79.02186	16.8
79.05479	11.9
80.02113	5.5
80.02516	11.9
87.04742	1.1
89.00232	1.8
91.05454	16.7
93.03408	1.2
93.07029	53.4
93.07622	2.1
94.93568	1.1
95.04964	8.6
98.00741	2.5
103.05447	4.3
105.04509	2.6
105.07025	8.7
107.95770	1.1
111.04433	13.5
116.82926	1.1
118.93020	1.1
119.08659	1.2
121.02850	100.0
121.03963	17.6
121.06490	35.9
121.07587	2.1
121.10123	22.5
123.08024	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	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46080	0.2
53.89583	0.2
55.01855	0.5
56.13789	0.2
62.43605	0.2
63.99851	0.3
65.03936	14.5
67.05480	0.2
79.02177	1.7
79.05486	2.1
80.02105	0.5
80.02522	1.6
91.05473	1.5
93.03393	6.0
93.07025	5.8
95.04932	1.0
98.03664	0.3
100.27594	0.2
103.05450	0.8
105.04465	0.4
105.07020	1.2
111.04427	5.2
116.08915	0.2
121.02849	100.0
121.03931	10.7
121.06466	5.7
121.08408	0.3
121.10110	3.8
121.20982	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	121.0647
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03922	0.6
55.93479	0.4
67.05460	0.4
79.05488	0.5
80.05018	0.5
86.55307	0.4
91.05453	5.9
92.17445	0.4
93.07024	5.3
95.04939	3.7
100.62748	0.4
103.05458	0.8
105.04493	0.7
105.06977	0.5
121.06476	100.0
121.10062	1.7
135.71263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
53.03944	2.1
55.01863	0.6
55.05494	0.3
57.03416	0.6
57.23847	0.3
61.01158	0.4
62.01484	0.3
63.99841	1.9
64.99795	0.3
65.03928	1.1
67.05488	0.6
74.06073	0.3
75.06402	0.4
77.03906	1.4
79.01717	0.6
79.02173	12.2
79.05478	2.9
80.02097	3.3
80.02509	10.0
86.00405	2.6
87.00172	0.4
88.65404	0.3
91.05459	20.4
93.07019	36.4
95.00924	1.2
95.04945	12.1
95.51026	0.3
98.01311	0.5
102.04631	0.3
103.05447	25.8
104.01418	0.3
105.04501	3.6
105.07059	0.3
118.53878	0.2
121.02834	3.1
121.04106	2.7
121.06474	100.0
121.10062	2.7
121.59246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	3.1
56.05018	0.8
57.03414	0.4
65.42251	0.3
67.65322	0.3
77.48828	0.3
80.04999	7.0
81.01756	3.0
81.04523	72.4
91.51482	0.3
92.05811	0.8
92.75947	0.4
94.07347	1.7
95.04904	0.4
95.06065	0.7
96.05283	0.5
99.02586	0.4
104.05785	1.4
104.07073	1.6
105.03745	0.3
122.07122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33429	0.4
51.46577	0.3
58.99855	2.2
59.80530	0.4
60.27931	0.4
82.01434	51.4
89.50074	0.5
96.70865	0.4
100.02464	100.0
118.03490	26.2
123.04047	0.5
131.87643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02381	0.2
53.03948	2.1
53.48384	0.2
55.05519	0.2
56.96585	0.2
59.50193	0.1
63.19991	0.1
65.03941	0.2
67.05500	2.0
71.15178	0.1
77.03932	1.4
79.01869	0.1
79.05487	0.2
81.03452	0.2
81.07049	2.1
88.02362	0.3
89.97070	0.1
95.04956	100.0
95.08601	0.6
100.02473	0.1
105.04503	3.4
123.04415	46.8
123.07999	1.3
123.11703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.71917	0.3
53.03958	2.8
56.91059	0.3
56.96571	3.2
58.88155	0.3
67.05499	2.8
67.51049	0.5
74.76425	0.3
77.03909	0.7
79.01820	2.9
79.05465	0.5
79.52033	2.1
80.04983	0.7
81.07055	8.9
88.02351	2.4
88.52531	2.2
95.04959	100.0
95.08595	3.2
96.04469	0.6
100.02473	1.7
103.37724	0.3
105.03387	0.5
105.04502	4.0
111.05567	0.4
118.03521	0.4
121.02861	0.4
123.04426	65.1
123.05527	14.4
123.08064	10.1
123.09104	1.5
123.11686	3.9
124.03962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03943	2.5
56.01474	0.2
57.62463	0.3
60.21334	0.2
61.80235	0.3
67.05489	0.7
77.03915	1.9
95.04955	100.0
100.02498	0.4
105.04510	3.8
123.04410	48.9
123.05442	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0553
Annotation	Picolinamide
Peak:m/z	Relative Intensity
53.03930	0.2
56.96557	5.0
57.52410	0.1
58.50515	0.2
60.17828	0.1
67.05484	0.5
67.51043	1.6
68.01215	0.2
70.01308	0.2
70.24574	0.1
70.51511	0.1
76.51579	0.8
77.01719	0.1
78.03429	0.1
79.01836	5.6
79.02268	0.2
79.05468	0.3
79.52032	3.2
80.05004	9.2
81.07028	0.7
81.32799	0.1
82.00980	0.2
82.01428	3.5
85.52060	0.2
88.00028	0.1
88.02357	8.8
88.52552	4.8
95.04944	3.7
95.06056	0.2
95.08567	0.1
96.04474	3.2
97.02864	0.8
97.53085	0.8
99.53156	0.2
100.02459	12.6
104.02388	0.1
106.02886	0.8
109.00462	0.1
111.53593	0.7
117.05744	0.1
118.00998	0.1
118.03493	4.3
121.75660	0.1
123.05524	100.0
124.03944	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	124.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46802	2.3
68.14121	2.5
70.22189	2.4
74.82947	2.5
82.01426	12.1
83.01492	42.3
89.40633	2.9
100.02454	31.6
101.00881	25.2
101.02531	100.0
118.03488	4.6
119.01883	58.1
119.03584	27.1
124.04093	2.9
137.02951	11.5
142.00523	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	124.0393
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
58.55228	0.2
59.58813	0.2
65.53468	0.2
67.62812	0.2
69.44173	0.2
78.03432	1.0
78.05246	0.2
80.05006	4.6
96.04472	2.8
96.05267	1.8
99.89191	0.2
102.20651	0.2
121.24590	0.2
124.03926	100.0
124.07556	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	124.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76359	2.6
55.01851	3.5
55.05518	4.3
55.91954	3.0
56.05017	15.0
57.05360	4.0
67.02959	3.7
67.64627	3.4
69.03401	4.0
75.30308	3.1
79.05476	6.5
81.05336	4.5
82.04845	4.5
82.06567	4.7
83.04950	7.6
83.06084	34.2
84.04506	26.7
84.05674	33.5
84.06413	21.8
85.07623	4.7
96.52185	3.0
96.94338	2.9
97.02865	35.0
97.06508	3.5
97.07618	21.1
98.07978	7.3
98.98439	53.4
107.08570	7.6
108.06369	13.1
115.26408	3.1
124.99968	76.4
125.00827	4.7
125.02339	34.6
125.03393	3.7
125.04301	29.4
125.05978	24.5
125.07097	44.7
125.08205	100.0
125.09023	23.9
125.09709	12.1
125.10738	23.1
139.98500	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	125.0597
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
54.56276	0.4
55.01865	0.8
55.05495	2.5
56.05025	0.5
58.42359	0.4
65.03931	47.2
69.03412	2.1
69.07063	0.8
79.05483	3.0
81.03403	0.4
81.07032	1.6
82.06585	0.8
83.04961	2.8
83.06071	0.7
84.04479	2.2
86.82092	0.4
93.03383	39.3
95.04950	0.5
97.02868	9.2
97.06512	3.7
102.02246	0.5
107.04951	0.8
107.08589	2.7
110.03652	1.5
111.04419	100.0
125.02332	8.7
125.03384	0.9
125.04276	12.7
125.05965	44.1
125.07048	4.4
125.08170	2.6
125.09603	7.3
125.10587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12317	3.2
59.95078	2.8
60.79654	2.9
60.99629	2.8
79.17594	3.4
84.01180	15.1
85.01498	14.6
89.34038	3.2
98.82610	3.9
102.02204	33.4
103.00624	35.7
103.02568	23.7
110.86893	3.2
120.03249	5.1
121.01631	100.0
121.02405	5.9
121.03566	4.9
139.02670	16.2
140.29225	3.4
144.56284	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	126.0551
Annotation	3-Hydroxyaminophenol
Peak:m/z	Relative Intensity
52.02308	0.1
53.52644	0.1
55.05513	0.2
55.80902	0.1
56.05036	0.2
59.06118	0.5
68.05021	0.6
70.06581	0.6
76.42519	0.1
80.05003	0.6
81.03423	0.1
82.06571	0.2
83.03723	2.3
83.06111	0.1
84.04500	1.1
84.05614	0.1
85.02915	0.1
85.05946	0.2
85.07663	0.2
86.08449	0.2
98.06051	1.4
103.53299	0.1
108.04471	0.9
109.07617	0.4
111.03175	4.2
124.64348	0.1
126.05508	100.0
126.09135	1.0
126.10114	1.2
141.59308	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	127.0154
Annotation	Ethyl dihydrogen phosphate
Peak:m/z	Relative Intensity
53.00306	0.4
53.03936	1.8
53.65597	0.3
55.01865	1.3
57.03415	0.5
57.07072	0.4
59.16046	0.2
66.52729	0.2
67.05481	0.4
68.05025	0.3
69.03392	0.3
71.04979	1.8
79.05513	0.3
81.03410	6.8
81.07059	2.3
83.04967	0.4
85.02875	0.6
85.06495	1.0
86.06031	0.4
98.98453	100.0
99.04435	2.3
109.02865	15.2
109.06490	0.6
109.07628	0.4
109.10133	0.7
111.54144	0.3
116.99479	2.1
119.48159	0.3
127.03900	22.1
127.04899	1.0
127.07547	1.2
127.08646	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	129.0548
Annotation	5-Hydroxymethylfurfuryl alcohol
Peak:m/z	Relative Intensity
51.07293	0.1
55.01869	0.3
55.05507	1.6
55.93523	0.2
56.05034	0.2
56.17911	0.1
57.03451	0.2
57.07077	0.2
58.06611	0.1
59.05005	0.1
63.08625	0.1
63.86318	0.1
65.76096	0.1
67.05522	0.1
68.02648	0.1
68.99797	0.1
69.03429	18.7
69.07070	1.3
71.04977	0.2
71.60892	0.1
72.04516	0.1
73.06554	0.2
73.86451	0.1
79.01852	3.2
83.04984	1.9
83.05450	0.1
83.05692	0.1
83.06099	1.3
83.08629	0.9
84.04508	0.5
84.08141	7.2
85.80399	0.1
86.06078	0.2
87.05587	0.2
87.06394	0.2
97.02889	100.0
101.06023	0.5
101.07104	0.1
105.99871	0.1
111.03358	0.1
111.04426	1.0
111.05612	0.1
111.08080	0.3
114.97142	0.1
115.03952	0.5
128.95078	0.2
129.01846	2.8
129.05476	26.5
129.10233	2.5
129.11108	0.1
138.05568	0.1
146.96138	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	130.0499
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
56.05034	2.7
64.82406	0.2
67.05484	0.2
70.06588	15.4
71.04989	1.0
74.02435	0.4
83.06094	0.4
84.04501	100.0
84.06441	1.1
84.08138	59.6
85.02883	1.5
101.50358	0.4
102.05551	1.3
109.01546	2.1
109.64472	0.2
112.07597	0.3
112.08712	2.1
112.11266	0.3
126.17576	0.2
130.04996	21.8
130.08633	28.0
130.09653	1.3
130.12276	5.3
143.98047	0.3
145.48167	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	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
52.84677	0.2
56.09657	0.2
56.96543	0.2
57.07062	0.4
67.05493	0.3
68.45312	0.4
68.95275	1.7
70.06558	0.3
72.08123	0.3
74.09697	1.0
74.30148	0.2
84.04491	1.6
85.06524	0.3
85.07655	0.3
87.00447	1.5
88.54919	0.3
89.68945	0.3
95.04933	0.4
98.47086	0.3
98.51233	0.4
103.05447	1.5
105.02665	0.4
106.97641	0.3
107.47615	0.5
112.07536	0.4
113.96393	0.3
115.98151	0.5
116.48117	0.4
130.06503	100.0
130.15877	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	130.0863
Annotation	D-Pipecolic acid
Peak:m/z	Relative Intensity
52.76683	0.5
56.05022	3.2
60.05632	1.0
70.06575	2.7
71.04981	1.5
80.63424	0.6
84.04497	77.0
84.08134	100.0
85.02872	0.8
86.50590	2.8
86.91138	0.6
87.70995	0.6
95.56464	0.6
107.05249	0.7
112.96752	0.8
125.42620	0.7
130.04977	13.7
130.08623	49.1
130.09628	3.1
137.96259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80290	0.2
51.97351	0.2
54.67398	0.2
56.41544	0.2
58.07413	0.2
67.05495	0.3
68.96529	0.2
71.06972	0.2
71.21961	0.2
71.94101	0.3
74.09707	0.6
75.10034	0.4
76.51571	0.4
77.03896	0.2
78.99925	0.3
79.01830	0.3
84.04488	0.2
85.02882	0.5
85.04826	1.3
86.06043	0.3
86.09639	0.4
87.00429	2.6
87.04462	0.6
87.50568	1.4
88.00461	11.6
88.02345	0.6
88.07650	0.3
91.05459	1.3
95.04957	2.7
96.00944	0.4
96.51032	0.3
97.00976	13.0
97.02866	0.5
99.01337	0.3
99.51246	5.8
101.62315	0.3
103.05442	100.0
105.04501	0.3
106.01491	1.8
108.51759	1.4
111.02000	0.3
113.02328	0.4
113.96387	1.1
115.96416	2.4
116.97213	1.2
128.88600	0.2
129.06969	0.5
131.04893	32.5
131.06947	2.2
131.08521	8.7
131.11754	0.4
131.16205	5.4
131.97437	0.4
133.97444	1.8
138.97984	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	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92943	0.2
51.02344	0.2
51.03718	0.2
51.79797	0.2
51.91407	0.2
53.03952	0.2
57.03446	0.2
57.07687	0.2
67.05489	0.2
72.04519	0.3
78.99918	0.2
85.04817	0.3
85.06519	0.4
86.06049	0.9
86.09694	4.7
87.00447	6.3
87.04449	0.3
87.50613	3.8
88.00469	23.5
88.02327	0.4
88.07618	0.3
90.50706	0.3
91.05474	1.3
95.04951	2.1
96.00967	0.5
96.51109	0.3
97.00986	22.2
98.51223	0.9
99.01343	1.0
99.51255	10.5
102.04636	0.3
103.05453	100.0
105.04503	0.5
106.01538	2.1
108.51775	3.2
111.02042	0.3
113.02355	0.4
113.96372	2.0
114.96557	0.4
115.96415	4.7
116.97211	1.2
129.06931	0.2
131.04906	32.3
131.06905	0.9
131.08557	3.4
131.11781	5.3
131.16278	1.0
131.97423	0.9
133.97435	3.1
138.97955	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	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02388	0.2
53.03952	0.3
54.70151	0.2
56.05048	0.2
57.03434	1.7
58.02947	0.4
58.06599	0.2
68.05013	0.3
69.07040	0.9
70.06568	0.2
72.04491	0.8
72.08139	1.3
72.93777	3.8
73.06539	0.2
77.03880	0.3
79.05506	0.2
84.04494	0.7
86.06045	1.2
86.09695	17.1
87.04440	0.4
88.00482	1.8
88.50645	0.4
89.00240	2.6
90.05537	0.8
90.94811	1.8
91.05466	0.5
95.04945	0.9
95.19435	0.2
96.04485	0.3
97.00969	1.3
97.51141	0.8
98.00751	2.1
100.01405	0.4
100.51031	1.4
104.04981	16.3
109.01980	0.2
113.96379	1.7
114.05496	1.2
114.09155	0.7
115.96419	0.3
117.05759	0.2
117.95959	0.3
131.97414	1.0
132.04434	100.0
132.06490	7.3
132.08038	4.5
132.10181	1.3
135.97026	0.2
153.76830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
50.41488	0.4
52.45159	0.4
54.17777	0.4
56.05033	0.6
57.03435	1.0
63.31113	0.4
65.45549	0.4
65.55033	0.4
72.93779	6.3
76.20182	0.4
79.74104	0.4
86.09695	9.3
88.00474	0.9
89.00254	3.2
90.94814	2.2
91.05449	0.6
97.00977	1.9
97.51160	1.0
98.00776	4.0
100.51018	2.1
105.07011	2.2
113.96375	3.7
114.09184	0.5
115.05428	4.0
117.05751	13.7
117.95949	0.6
125.11912	0.5
130.06531	0.9
131.07321	0.9
131.97427	0.7
132.04474	3.8
132.06654	4.2
132.08076	100.0
135.97011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1018
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.74981	0.1
56.67386	0.1
69.07054	3.9
73.83830	0.1
86.09688	100.0
101.91415	0.1
132.10181	2.4
134.76062	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	133.0607
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
50.09473	0.3
53.53738	0.3
57.03433	0.4
60.04536	0.5
60.51815	0.3
61.01137	3.9
64.23366	0.3
69.07067	0.5
70.02946	5.2
70.06587	0.4
70.07396	1.9
74.02430	100.0
85.02889	1.4
86.09694	3.3
87.02676	6.4
87.05578	56.2
87.09478	0.9
87.10021	19.0
88.03980	13.7
89.52324	1.8
98.02412	0.5
99.00832	1.2
110.01350	0.4
116.03428	14.1
116.77770	0.3
133.03191	4.3
133.06068	13.0
133.07033	0.5
133.10506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	L-Aspartic Acid
Peak:m/z	Relative Intensity
56.96584	0.7
68.05014	1.4
70.02969	2.0
74.02434	100.0
75.02756	3.2
80.05029	0.7
88.03982	70.7
88.05882	0.7
90.48629	0.6
90.88087	0.5
98.06052	1.1
116.03407	6.9
117.03797	0.6
134.04482	6.5
134.08109	10.2
134.11862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.06
Annotation	Oxindole
Peak:m/z	Relative Intensity
56.95109	0.2
65.03930	0.3
68.38087	0.1
68.77503	0.1
74.02419	0.9
74.52959	0.1
74.93822	0.2
79.05495	2.0
79.22381	0.1
88.03966	0.8
96.95062	0.2
98.68945	0.1
105.03385	1.1
106.06550	8.5
106.07304	0.6
107.04941	0.3
108.74650	0.2
114.36880	0.2
115.96444	0.1
120.96076	0.1
128.84583	0.1
134.06001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03946	0.3
59.05000	0.2
59.27385	0.1
61.68135	0.1
67.68984	0.1
68.99783	0.2
73.06526	0.1
77.03929	0.2
79.05495	4.9
91.52122	0.1
93.07056	0.6
94.06555	0.8
95.04956	1.6
105.04523	0.3
107.04955	28.3
107.08620	0.2
112.27762	0.2
135.04414	100.0
154.14856	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
52.05263	0.2
53.01886	0.2
60.41013	0.3
64.25903	0.3
66.74854	0.4
68.05007	0.3
84.35851	0.3
89.94599	0.3
91.05466	1.1
92.78854	0.3
94.02895	0.3
95.04909	0.3
104.51120	0.3
105.25870	0.2
108.04495	0.5
108.05325	1.2
109.01101	0.4
118.06501	0.3
119.03519	1.7
136.02148	46.1
136.03897	2.5
136.04912	4.2
136.06165	100.0
136.07458	3.4
137.04555	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	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
51.58855	0.1
55.97375	0.1
68.09335	0.1
91.05452	3.2
94.04021	0.6
110.43684	0.1
118.06523	0.2
119.03525	1.5
119.04891	1.9
136.06152	100.0
137.04535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
51.91329	0.1
57.39597	0.1
58.03241	0.1
60.34990	0.1
60.53852	0.1
64.32096	0.1
65.03915	0.1
66.54569	0.1
67.02985	0.1
68.49790	0.1
91.05473	10.4
92.16869	0.1
94.04044	0.5
107.04948	0.3
109.05099	0.1
109.06513	0.1
118.05760	0.1
118.06534	0.4
119.03598	1.6
119.04926	6.1
136.02217	1.1
136.06181	100.0
136.07520	7.6
137.04582	0.9
139.45523	0.1
151.04790	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	136.0758
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
57.07054	0.3
76.93371	1.9
80.05029	0.4
81.85428	0.3
91.05473	18.1
93.19041	0.3
94.06549	0.5
94.94406	0.7
95.04956	0.6
95.06055	0.3
103.03372	0.3
108.04457	1.6
108.05186	0.5
108.05559	0.4
108.08173	0.6
108.08893	0.4
109.01099	0.7
109.06512	0.6
117.95958	2.1
118.06534	6.4
119.03597	0.4
119.04931	10.4
136.02162	100.0
136.03917	4.6
136.05081	5.8
136.06181	52.0
136.07562	23.7
136.08527	1.4
137.04564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.7
60.46448	0.1
62.98167	0.1
64.91107	0.1
67.05474	0.7
69.07027	0.1
71.02959	0.2
73.02701	0.5
77.00892	0.1
78.52963	0.2
79.05482	0.2
81.03419	0.2
81.07066	1.5
82.01426	0.1
82.99830	0.5
83.08609	0.2
84.53511	0.1
85.53743	0.2
91.05445	0.2
93.07028	0.7
93.54043	0.2
95.04955	0.2
95.08608	1.3
97.53697	0.1
99.05513	0.2
100.02473	1.6
100.04423	0.2
101.00871	12.4
101.02528	0.8
102.02269	0.1
104.05777	0.1
105.05471	0.1
105.07034	0.2
106.54219	0.2
108.55783	0.1
109.02895	0.2
109.06494	0.6
109.10211	0.2
111.52440	0.1
111.53569	0.1
114.02523	0.2
114.03283	0.3
114.05205	0.3
114.05996	4.9
114.54581	0.2
114.55875	0.1
117.03954	0.2
118.03522	0.7
119.01912	100.0
121.02313	0.5
123.05711	0.2
123.06480	0.8
124.02441	0.2
125.55006	0.3
125.56818	0.3
126.02052	0.3
127.03550	0.5
131.01872	0.1
133.03471	0.3
134.57367	0.2
137.02962	29.2
137.05934	0.7
137.09613	0.5
139.03426	0.1
142.03513	1.9
143.05586	0.2
151.04556	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0457
Annotation	Hypoxanthine
Peak:m/z	Relative Intensity
52.67746	0.1
55.05508	2.1
56.96550	1.1
57.07061	0.2
58.99536	0.1
58.99850	0.3
61.01147	1.7
67.05479	0.4
68.95276	1.9
70.69353	0.1
73.06529	0.7
73.22810	0.1
76.99847	0.3
77.00904	0.2
77.81574	0.2
78.01537	0.2
79.02170	1.1
79.02586	0.2
81.07038	2.6
82.04057	0.2
84.01539	0.7
86.00404	3.6
89.46539	0.2
91.05455	1.0
92.05797	0.2
93.07027	0.2
94.04049	1.6
95.00925	2.6
95.08583	2.0
98.47073	0.2
99.48846	0.9
105.00083	1.3
105.03849	5.7
107.00008	1.5
107.47620	1.7
108.49367	12.2
109.06492	1.0
109.10142	0.2
110.03511	2.1
111.87508	0.2
114.04352	2.4
116.00530	14.9
116.48104	1.0
116.54654	0.2
116.96425	0.2
117.49875	9.5
118.45746	0.2
119.00195	0.2
119.01888	1.1
119.03554	1.4
119.08511	0.2
120.00146	0.2
120.04439	0.3
122.03629	0.3
125.01042	5.7
125.48650	0.3
125.96975	0.9
126.50361	0.2
127.03947	0.3
127.46368	0.3
134.47507	0.2
134.97519	0.4
137.01147	3.6
137.02394	2.3
137.04561	100.0
137.05855	3.3
137.13165	0.3
137.29710	0.2
143.98033	0.2
155.02208	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.01857	0.3
55.05498	0.2
55.17088	0.2
66.04701	0.6
66.56896	0.2
67.05475	1.4
79.05466	2.0
79.93190	0.2
81.07037	4.8
91.05453	2.2
93.07011	0.9
94.04156	4.3
94.66252	0.2
95.04897	0.2
95.08579	2.7
107.04935	0.4
109.06500	2.6
109.10141	1.2
119.05002	0.3
122.03606	15.0
133.29175	0.3
137.02502	3.8
137.05937	100.0
137.09499	2.4
137.13155	0.3
153.31541	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.49104	0.3
50.83242	0.3
55.01867	0.5
67.05494	3.1
78.92380	0.4
79.05481	2.1
81.03384	0.4
81.07055	6.9
90.96767	0.5
91.05454	1.7
93.07040	1.7
94.04170	0.8
95.04962	2.0
95.08598	5.7
95.94063	0.4
109.06505	1.6
109.07616	0.4
109.10155	1.6
119.08575	0.7
121.10162	0.4
122.03652	4.1
137.02533	9.8
137.05972	100.0
137.09592	5.4
137.13255	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.01864	0.5
65.03926	0.3
67.05495	2.0
69.07059	0.7
79.05486	1.9
81.03413	0.5
81.07070	3.4
84.83456	0.3
91.05464	1.7
93.06940	0.3
94.04168	3.6
95.04954	0.5
95.08584	1.8
107.04986	0.4
109.06522	1.9
109.10159	1.3
116.09187	0.3
119.13760	0.4
122.03642	16.1
137.02548	3.4
137.05978	100.0
137.09573	3.1
137.13222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
54.49041	0.4
54.70446	0.4
57.22908	0.4
58.60591	0.5
63.48962	0.5
64.14848	0.5
81.07044	2.1
85.01635	0.5
91.05460	1.1
94.04181	4.1
94.67245	0.5
107.04915	0.5
121.76882	0.5
122.03633	16.1
124.28382	0.5
135.04378	0.6
137.05959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
65.03925	0.5
73.56943	0.2
79.05476	1.5
80.50850	0.2
81.07054	5.0
91.05464	3.6
94.04170	1.7
106.53199	0.3
107.04931	3.5
109.06506	4.5
119.06031	0.3
121.02853	5.1
122.03629	4.2
137.05960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02360	0.2
55.01851	0.2
56.06997	0.2
57.72456	0.2
65.03921	0.2
66.04707	0.4
67.05486	1.4
68.47211	0.2
74.29771	0.2
76.42921	0.2
79.05473	1.6
81.06601	0.2
81.07047	4.5
81.07490	0.4
91.05437	2.1
92.05822	0.2
93.06998	1.0
94.04168	3.9
95.04942	0.8
95.08585	2.2
100.33029	0.2
107.04934	0.4
109.02873	0.3
109.06495	2.5
109.10128	0.9
118.69181	0.2
119.04887	0.4
122.03614	15.8
137.02524	2.3
137.05948	100.0
137.09499	2.8
137.13200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08323	0.2
65.03938	0.2
69.03398	0.2
79.02189	1.8
86.00418	1.2
92.05008	0.2
94.06556	3.1
95.00942	0.8
96.04489	1.0
96.67401	0.2
97.02864	1.0
99.01161	0.9
100.00140	0.4
100.50519	7.1
108.01679	39.5
108.49376	0.9
108.51732	1.1
109.49149	2.2
109.51025	1.9
110.06037	3.3
112.01283	0.3
116.00520	1.2
117.00330	2.5
117.02209	1.7
117.49888	0.3
118.49667	1.6
119.52467	1.9
121.02905	0.2
121.06519	0.3
121.50076	0.6
125.01004	0.2
126.00864	0.4
130.50647	7.7
131.00748	0.3
136.47359	0.2
138.01855	4.1
138.05493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0547
Annotation	Trigonelline
Peak:m/z	Relative Intensity
56.85927	0.1
58.37378	0.1
78.03468	0.1
86.83600	0.2
91.95995	0.1
92.04970	0.7
94.06541	3.2
95.46456	0.2
95.68576	0.1
96.04466	0.8
100.50504	0.2
106.02807	0.3
108.01664	2.6
108.51733	0.2
110.06027	2.5
115.51312	0.2
130.50586	0.9
137.63541	0.1
138.05475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91286	0.0
56.96536	0.2
57.93560	0.0
62.96336	0.0
64.34252	0.0
64.34835	0.0
80.97393	0.0
94.06514	0.1
98.07160	0.0
98.98434	100.0
99.05528	0.1
112.03941	0.1
112.07592	0.1
116.97208	0.5
116.98636	0.1
116.99460	1.9
122.06039	0.1
122.07025	0.0
123.05525	0.0
125.02287	0.1
138.05455	0.1
140.01035	0.3
140.03392	0.4
140.04585	0.2
140.07011	0.2
140.08134	0.1
140.10657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	0.3
57.91825	0.3
59.13307	0.3
66.70756	0.3
72.09540	0.3
82.01438	1.4
82.99812	1.4
83.01497	4.2
100.02444	3.0
101.00861	31.1
101.02526	11.2
115.65839	0.3
118.03547	1.1
119.01894	100.0
119.03589	3.3
124.02418	6.9
124.04132	0.3
137.02936	20.7
138.29849	0.3
142.03473	52.8
160.04515	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	144.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.2
56.04136	0.2
58.27152	0.3
60.04531	0.3
60.95833	0.3
70.06596	0.6
83.01525	0.2
84.01203	0.4
84.04472	0.3
84.96024	0.3
84.99575	0.4
85.02884	1.4
96.67109	0.3
97.00767	0.4
98.02771	0.3
98.06049	1.6
100.02477	1.0
102.00958	0.4
102.02215	5.0
102.96861	2.4
103.00625	18.8
103.01229	0.7
103.02526	2.3
119.01865	1.8
120.01975	2.5
120.03233	1.6
120.96461	0.4
120.97855	2.0
121.01638	100.0
121.02293	4.3
123.02000	0.2
125.95359	0.3
126.02142	4.8
126.05444	0.6
138.03026	0.5
138.98880	0.5
139.01758	3.8
139.02676	27.6
142.03447	0.6
144.03204	59.7
144.06448	1.2
144.10088	0.3
150.83684	0.3
162.04253	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	144.0805
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.44535	0.3
56.02208	0.4
56.05012	0.5
57.07049	0.3
59.06110	0.3
60.04509	2.4
61.31868	0.4
70.03764	0.5
70.06558	1.7
71.04980	0.3
74.06048	0.6
80.01667	0.7
81.07001	0.4
84.04489	2.2
85.02882	7.1
85.06557	0.3
86.09671	0.7
88.07607	1.7
89.02224	0.7
97.00758	0.5
97.02936	0.4
98.03229	0.5
98.06032	8.1
98.06654	0.7
98.09667	0.7
100.53046	0.5
102.05489	1.6
102.06671	0.4
103.03928	1.4
103.05466	2.5
105.89771	0.3
111.07949	0.4
115.05401	0.3
117.06992	4.4
121.00774	2.6
126.02654	3.1
126.05466	1.7
139.01813	4.9
143.07262	2.0
144.03691	8.9
144.04715	2.9
144.06570	7.3
144.08047	100.0
144.10149	3.0
144.13779	5.6
144.17506	0.4
155.06026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0807
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
52.02983	0.1
55.05502	0.3
56.05020	0.2
60.04515	1.4
70.03746	0.1
70.06581	1.4
71.04979	0.2
81.07031	0.6
83.08604	0.2
84.04493	1.1
84.08141	0.2
85.02888	4.3
91.05480	0.2
91.63236	0.1
94.63861	0.1
97.02872	0.5
98.03197	0.6
98.06036	4.8
98.09701	0.2
99.04426	0.2
102.05514	0.6
102.06654	0.2
103.05472	0.2
113.02949	0.1
115.05422	0.8
117.05741	0.2
117.06997	4.7
120.96510	0.2
121.00688	0.2
126.02667	1.9
126.05486	2.1
126.09089	0.2
128.04903	0.1
129.74925	0.1
139.01804	0.2
143.07275	2.2
144.03696	4.3
144.04764	1.6
144.06609	5.3
144.08058	100.0
145.06447	0.9
153.82552	0.1
155.06026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0805
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
55.05494	1.3
56.05026	1.2
57.07051	1.2
58.05324	0.8
59.06113	7.2
60.04506	1.5
60.05610	0.6
60.08136	0.9
61.19358	0.6
70.06573	5.0
72.08112	0.9
74.06062	1.4
79.01867	1.1
80.01635	0.7
81.07027	1.6
84.04472	3.9
84.08158	0.9
85.02890	7.3
85.04005	0.7
85.07638	1.7
86.06046	1.2
86.09689	3.7
88.02348	0.8
88.07589	1.7
98.06033	15.6
98.09692	0.9
99.05555	3.0
101.07109	3.8
102.05513	2.8
102.06635	4.8
103.05435	3.3
109.07590	1.1
111.07909	2.7
117.06984	3.1
121.00707	1.1
122.18894	0.7
126.02678	3.9
126.05472	1.7
126.09134	1.4
127.08653	1.3
139.01813	2.8
143.07286	1.6
144.03676	9.3
144.04739	8.8
144.06564	12.2
144.08054	100.0
144.10129	4.5
144.13812	15.5
155.06029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1017
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
54.09870	0.2
54.82633	0.2
55.01879	0.3
55.05497	1.3
56.05031	1.6
57.03416	0.2
58.06597	0.4
60.04519	0.4
60.08148	0.3
65.70128	0.3
70.06577	10.3
70.06941	0.5
74.06074	0.3
79.02196	0.4
81.07032	0.5
82.06571	2.3
84.04492	2.1
84.08127	93.4
85.02898	2.4
85.06509	0.7
87.91000	0.2
88.14646	0.3
98.06033	10.8
98.09676	11.3
102.05537	1.5
113.02966	3.1
116.19513	0.3
126.02711	1.3
126.03716	3.2
126.05488	7.0
126.09142	0.4
144.03773	1.7
144.04756	46.9
144.06473	10.3
144.10168	100.0
144.13844	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	145.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03437	2.3
62.92991	11.8
63.02361	1.5
64.12866	0.8
66.52883	1.0
67.93581	1.0
69.03419	6.9
71.04984	4.8
71.27300	0.9
72.04494	1.1
79.32437	0.9
80.66156	1.0
81.01559	1.1
81.03399	4.4
81.07032	1.6
85.02915	13.4
85.94582	2.1
86.06016	1.3
89.03912	72.5
90.01971	1.4
97.02898	8.8
99.04451	21.9
100.07625	2.1
103.95625	4.3
105.07027	5.1
109.02794	1.5
117.03372	100.0
117.07034	5.4
121.96637	57.0
126.97202	2.2
127.03889	7.4
128.07065	1.5
130.07774	2.5
135.04379	1.7
139.66455	1.1
140.95171	1.5
144.98276	4.2
145.02843	6.7
145.04945	7.5
145.06499	5.2
145.10120	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	145.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.4
53.03932	3.4
55.01868	4.4
57.03429	81.0
59.66287	0.5
61.02906	1.1
62.92973	3.8
67.05467	1.2
69.03410	9.3
69.07066	0.8
71.01333	0.9
71.04976	100.0
73.02888	1.3
79.05427	0.7
81.03404	8.8
81.07035	3.3
85.02887	24.4
85.06508	2.6
86.06052	0.7
89.06008	57.7
97.02874	15.7
99.04430	61.1
100.42284	0.8
103.03919	3.0
103.95600	1.5
109.02841	3.2
115.03888	1.0
117.06984	2.4
118.06507	0.7
121.96609	19.9
125.83600	0.6
127.03888	24.4
127.07480	0.8
128.07021	0.8
139.31882	0.7
145.03816	3.2
145.04985	18.8
145.06664	1.8
145.07591	4.4
145.08571	66.0
145.09943	4.1
151.96745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
52.99679	0.4
55.05513	0.7
56.05029	0.7
57.03436	1.6
72.08137	0.5
80.70616	0.4
81.03403	0.8
82.06582	0.8
82.93548	0.6
86.06043	3.4
86.09688	2.8
86.99056	0.5
87.04460	2.4
93.54824	0.5
99.20329	0.5
99.46834	0.5
100.02168	0.6
100.04774	0.8
100.07605	3.3
104.07095	0.9
111.04446	0.6
118.06531	7.6
118.08611	0.7
120.05215	0.5
128.04970	7.9
128.07059	3.2
132.39621	0.5
146.02905	5.4
146.06003	100.0
146.08087	10.4
146.09238	3.1
146.11739	0.9
152.97549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0598
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
57.15275	0.4
87.51064	0.5
91.05445	5.5
116.47794	0.5
117.05724	2.1
118.06520	100.0
128.04933	5.3
146.05986	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
56.53455	0.1
57.03421	0.2
72.08157	0.1
72.23795	0.1
76.40876	0.1
82.06557	0.2
84.04495	0.1
86.06034	0.3
86.09692	2.4
87.04469	0.3
88.72665	0.1
91.05463	0.6
100.04773	0.3
100.07581	0.2
101.77705	0.1
104.04993	0.3
111.04433	0.1
118.06535	3.8
128.04973	0.3
128.07013	0.2
146.05989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
52.69772	0.1
57.03428	0.3
65.03925	0.3
69.85129	0.1
86.06052	0.3
91.05472	4.7
92.16832	0.2
117.05759	1.7
118.06525	100.0
121.96533	0.2
128.07100	0.3
137.48672	0.2
146.02914	0.7
146.05994	41.3
146.08025	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	146.0922
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
51.68585	0.3
51.89174	0.3
55.05508	0.4
60.05645	15.4
69.03423	0.8
69.86018	0.3
82.06569	5.1
83.06089	0.6
84.44146	0.4
86.06054	39.9
87.04453	70.6
100.07605	5.3
100.45270	0.3
101.06026	0.6
104.07090	18.0
104.07780	0.7
105.01561	0.3
111.05547	7.1
128.07059	2.5
128.08171	12.9
129.06586	3.5
146.08153	6.5
146.09213	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
57.23032	0.4
64.92809	0.5
65.03947	2.4
67.84412	0.4
74.61147	0.5
81.67910	0.4
84.08131	0.7
84.47880	0.4
87.17294	0.4
87.43742	0.5
91.05476	32.5
95.29740	0.4
98.55701	0.5
105.07032	3.0
106.49433	0.4
119.04932	99.9
119.08559	3.7
123.96439	3.8
147.04404	100.0
147.08023	2.0
147.11678	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	147.0439
Annotation	Coumarin
Peak:m/z	Relative Intensity
51.86493	0.1
52.38669	0.2
59.19573	0.2
64.92791	0.3
65.03928	0.8
84.04480	0.6
84.08131	0.2
91.05466	10.6
95.04982	0.6
103.05460	22.1
105.04478	0.2
105.07013	1.3
117.07029	0.3
119.04107	0.4
119.04926	7.5
119.05787	0.3
119.06771	0.2
119.08562	3.2
123.96432	1.7
129.06972	0.2
130.04962	0.3
137.16533	0.2
144.07985	0.2
147.04393	100.0
147.08025	8.3
147.11658	2.7
147.15717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.78239	0.6
56.05018	1.5
65.03935	0.9
70.58823	0.6
79.36837	0.5
83.04958	0.7
84.04492	92.2
84.08131	32.6
85.02872	0.9
86.06038	0.9
87.04472	1.5
87.06386	0.9
88.04779	3.5
89.15932	0.6
90.24957	0.6
91.05463	20.7
99.04428	1.3
101.01731	2.4
101.07124	5.0
102.05511	3.4
103.05448	4.6
118.98536	0.7
119.04918	100.0
121.09321	0.6
129.05460	0.8
130.04980	70.5
130.08612	13.5
147.04393	43.2
147.07628	2.8
147.09689	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.05093	0.3
63.39689	0.3
64.92812	0.3
65.03941	2.1
67.74963	0.3
83.54543	0.3
84.04475	0.6
84.08139	0.6
91.05470	33.4
105.07018	0.5
119.04923	100.0
119.08582	1.6
123.96430	1.4
130.05008	0.7
147.04393	92.8
147.08049	1.4
147.11656	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	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.52842	0.4
53.12963	0.4
55.05507	0.5
65.03926	2.7
74.61475	0.5
75.46019	0.4
80.63885	0.5
84.04474	0.8
84.08119	2.6
91.05462	38.6
92.01890	0.5
103.05447	2.2
105.07007	5.8
119.04914	94.8
119.08545	7.6
123.96474	6.3
129.06943	0.7
130.04976	2.5
130.08534	0.6
145.10129	0.6
147.04382	100.0
147.05374	3.7
147.08015	7.1
147.11658	10.1
159.39807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.74217	0.3
65.03934	2.1
65.20515	0.3
84.08165	0.4
85.22635	0.3
91.05465	33.3
105.07020	2.1
106.07240	0.3
119.04925	99.4
119.08570	2.0
123.96456	1.9
127.13822	0.3
132.52119	0.3
147.04391	100.0
147.11641	2.6
147.55392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.29807	0.5
55.01847	0.6
55.05504	0.8
56.61961	0.5
62.33407	0.5
64.92779	0.8
65.03916	3.2
69.03394	0.7
84.04485	5.5
84.08108	3.6
91.05457	41.5
105.07024	6.7
117.06987	1.3
118.06519	1.4
119.04915	94.0
119.06812	15.6
119.08549	9.6
123.96434	8.1
130.04962	5.1
130.08617	1.2
145.10110	0.8
147.04384	100.0
147.06369	9.1
147.07991	9.4
147.11644	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	147.1125
Annotation	L-Lysine
Peak:m/z	Relative Intensity
53.60715	0.1
56.05030	1.0
58.77804	0.1
58.97749	0.1
59.65116	0.1
67.05497	0.7
74.02415	0.1
76.15572	0.1
84.08128	100.0
85.06530	0.5
86.33372	0.1
101.10774	0.2
102.09170	0.4
112.07558	0.5
119.87300	0.1
129.10214	1.1
130.08612	35.2
137.35176	0.1
147.11263	3.5
154.86725	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	148.0603
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
56.05032	2.8
57.52219	0.1
74.00655	0.8
74.02068	0.1
74.02406	0.9
76.14109	0.1
84.04494	100.0
84.08149	1.0
85.02892	1.9
85.04815	1.2
85.08444	0.1
88.07633	0.3
102.05528	29.8
102.09160	0.7
120.01168	0.6
127.68866	0.1
130.04980	23.8
130.08626	0.6
131.03371	0.3
131.05345	0.9
148.04218	0.8
148.06021	5.7
148.07889	0.2
148.09634	0.9
167.49840	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	149.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37353	0.6
65.03942	4.8
66.74216	0.7
79.49564	0.7
85.63500	0.7
93.03403	1.3
111.04415	1.0
121.02851	15.7
121.03941	2.8
140.63991	0.8
145.31987	0.8
149.02333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0595
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.02349	0.4
53.03928	0.6
53.59965	0.3
53.86458	0.2
55.01854	0.3
61.20916	0.3
65.03939	0.5
69.03422	0.4
79.05481	47.8
84.04475	0.3
85.04826	1.7
89.94033	0.5
91.05465	2.7
93.07024	19.8
95.04946	3.6
103.05447	100.0
105.04492	1.3
105.07005	3.4
106.76408	0.3
107.04934	71.8
107.08572	0.4
107.95016	0.5
121.02850	2.3
121.03975	0.3
121.06476	16.4
121.10083	0.6
130.96608	0.4
131.04897	29.4
131.08493	0.4
148.97749	0.6
149.02327	8.9
149.03403	0.8
149.05954	13.4
149.06970	0.8
149.08211	1.5
149.09612	1.7
149.13284	0.6
167.49081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.14185	0.6
55.01856	1.5
58.73601	0.7
59.04982	3.7
69.26846	0.6
70.48793	0.7
73.06160	1.0
73.06545	20.8
78.04690	0.7
79.05476	0.7
84.53049	0.7
85.04783	0.6
85.26728	0.6
89.03903	21.9
91.05460	5.1
93.07043	5.5
95.04951	1.4
103.05448	2.7
105.07027	1.1
106.04153	3.0
107.04923	1.0
107.08597	1.5
111.35041	0.7
113.57812	0.6
117.02498	0.9
117.03355	28.9
121.02837	3.8
121.04034	0.6
121.06500	4.0
121.10131	1.3
124.05224	1.0
131.04863	1.0
131.08577	3.5
134.03612	8.4
135.04402	5.9
149.02344	19.6
149.05963	100.0
149.09570	9.5
149.13300	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	149.0597
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
52.45719	0.5
53.03941	0.6
55.01873	49.8
57.12811	0.5
64.07473	0.5
65.03929	1.3
71.33451	0.7
73.06519	0.7
77.03906	0.8
79.05473	2.6
81.07060	0.9
87.04445	4.1
91.05461	9.0
93.03368	0.7
93.07034	16.9
95.04941	3.9
95.39142	0.6
103.05458	42.3
104.62207	0.6
105.07037	0.7
105.49796	0.8
105.97642	0.9
107.04948	12.9
107.08572	5.9
108.04479	0.7
121.02850	7.7
121.03675	0.9
121.03961	0.8
121.06491	31.7
121.10098	4.5
126.05547	1.0
131.04913	93.8
131.08562	5.4
134.03581	0.8
134.40636	0.6
149.02328	46.0
149.05965	100.0
149.09566	13.6
149.13188	4.4
149.92867	0.6
162.50966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
55.01871	0.5
55.05516	0.7
67.02977	1.1
67.05473	0.7
69.03391	0.5
70.30922	0.5
79.05470	3.6
81.07037	2.1
83.23756	0.4
91.05443	3.1
93.07010	5.9
105.07015	1.1
107.06047	0.9
107.08593	3.3
108.05546	0.7
121.02871	1.8
121.06472	4.7
121.10110	2.4
122.07130	2.9
131.08549	8.7
141.98814	0.5
149.02304	9.4
149.08301	5.2
149.09587	100.0
149.13152	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.19556	1.6
55.01867	3.1
55.05507	2.5
65.03925	6.3
67.05502	27.2
69.07056	11.5
70.15644	1.2
72.76544	1.4
73.76759	1.3
73.85308	1.2
77.38552	1.5
79.05491	24.7
81.07054	56.2
83.08624	1.8
87.04440	2.7
89.15089	1.5
91.05471	6.6
93.07041	56.3
95.04951	1.8
95.08567	3.1
103.05461	2.9
107.04994	2.0
107.08595	47.2
108.05626	2.2
121.02834	18.0
121.03973	2.2
121.06504	7.4
121.10144	26.9
122.07147	3.7
131.04906	8.3
131.08585	7.5
149.02342	92.8
149.03387	5.1
149.05991	17.4
149.07071	2.4
149.08231	14.0
149.09621	26.8
149.13248	100.0
159.97220	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	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
55.05503	1.4
57.65416	0.6
59.49699	0.5
65.03922	1.1
67.05173	1.0
67.05503	22.2
67.82784	0.6
68.25259	0.6
69.07070	8.5
79.05488	16.3
81.07050	47.9
83.08604	4.2
85.35233	0.8
87.04443	0.8
91.05460	1.6
93.07036	38.3
93.77390	0.6
95.08575	5.1
103.05462	0.8
105.07027	1.0
105.49803	1.4
107.08588	39.6
109.06470	0.7
121.02849	5.0
121.06464	1.4
121.10125	15.1
122.07124	0.9
128.04463	0.7
129.66685	0.7
131.08516	0.9
140.41626	0.7
149.02356	20.2
149.03488	1.8
149.05986	4.4
149.08237	3.1
149.09616	4.6
149.13245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0583
Annotation	L-Methionine
Peak:m/z	Relative Intensity
55.38657	0.2
56.05035	86.6
59.23999	0.3
61.01149	34.3
62.06066	0.3
62.99083	0.3
68.05016	1.5
69.03436	0.4
74.02432	4.7
74.06073	6.8
75.02682	0.4
78.01408	1.4
84.04041	0.4
84.04500	5.5
85.02905	2.8
86.04884	0.6
86.06055	1.6
87.02682	9.7
87.04454	0.7
87.70558	0.3
88.07604	0.4
89.04237	0.3
99.55328	0.3
101.00561	2.1
102.05533	27.6
104.05322	100.0
104.07097	3.0
104.78559	0.3
105.03709	1.5
106.49806	0.4
108.01672	5.9
108.51723	14.0
109.01521	5.8
114.05499	0.5
116.97175	0.8
117.52235	0.8
119.30750	0.3
122.05978	0.6
130.50652	0.7
131.00717	7.7
131.50478	2.9
132.05392	0.7
132.06537	0.7
133.03175	60.6
138.51906	3.9
139.01651	0.7
139.98755	0.6
150.05798	11.3
150.07704	18.5
150.08948	1.0
150.11188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Piperonal
Peak:m/z	Relative Intensity
55.01863	2.1
65.03935	1.3
67.05501	6.4
68.95282	8.4
69.03421	0.5
79.05482	2.5
81.03413	2.0
81.06604	0.7
81.07041	5.3
87.00455	1.9
88.69717	0.5
89.06017	15.6
91.05473	5.0
93.07040	12.8
95.04948	7.7
95.08590	5.0
96.00948	0.7
98.47115	2.2
98.51224	1.1
105.04526	0.8
105.07024	7.1
107.08591	3.7
107.47622	8.1
108.02094	4.2
109.02782	0.6
109.06508	5.3
109.10147	2.8
111.04417	2.1
116.48131	16.3
118.98438	0.6
119.04942	3.1
123.04423	3.0
123.08050	5.8
125.48613	4.1
127.98899	1.0
133.06458	0.9
133.10101	6.5
136.01538	1.3
141.05444	15.1
151.03886	100.0
151.05020	23.9
151.07536	10.2
151.08618	1.8
151.09743	1.1
151.11153	9.2
154.90724	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	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.03960	0.9
53.14558	0.8
54.08591	0.8
54.66131	0.9
55.01882	1.2
57.07069	1.2
59.09812	0.9
63.38364	1.0
65.03943	2.2
67.05501	9.5
68.04977	1.5
68.95285	25.4
69.03432	1.1
72.73615	0.9
74.80533	0.9
79.05482	1.8
81.03406	6.0
81.07047	11.6
82.26933	0.9
87.00458	10.6
89.06024	7.8
89.46595	1.8
90.29550	1.1
91.05504	8.0
93.07028	13.5
94.04181	1.6
95.04950	10.8
95.08603	9.5
96.01003	1.1
98.47091	9.0
98.51231	5.0
105.07000	8.9
107.04949	1.4
107.08570	7.1
107.47625	32.0
108.02069	1.5
108.05695	1.5
109.06496	6.6
109.10144	4.5
110.06021	2.1
110.07138	4.8
111.07925	5.1
113.96397	1.5
116.48132	32.9
118.98412	6.0
119.04930	2.2
119.48613	1.0
123.04417	1.8
123.08049	13.7
123.11679	1.5
125.48682	7.1
127.98911	4.1
133.06880	0.9
133.10110	4.5
136.05191	5.6
141.05479	1.2
150.80667	1.0
151.03888	35.5
151.05023	13.7
151.06113	2.3
151.07526	26.3
151.08649	6.3
151.09857	4.7
151.11165	100.0
151.12189	3.6
154.90733	5.5
160.56859	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	152.0564
Annotation	Guanine
Peak:m/z	Relative Intensity
54.66293	0.2
67.02332	0.2
74.90308	0.2
82.04053	0.2
106.06496	0.2
109.05083	0.9
110.03501	3.3
110.06003	0.4
120.09727	0.2
124.07627	0.2
124.74586	0.2
128.04530	1.6
134.05962	2.1
135.02991	5.6
152.01602	1.5
152.05637	100.0
152.10612	0.8
153.04027	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	152.0703
Annotation	2-Amino-3-methylbenzoate
Peak:m/z	Relative Intensity
51.63509	0.1
52.18657	0.1
53.23128	0.2
53.51882	0.2
53.53245	0.1
55.02975	0.2
56.05027	2.1
59.99809	0.1
60.76794	0.2
62.27674	0.2
63.00712	0.8
75.36443	0.2
79.05481	0.7
82.04048	0.3
96.08123	0.3
99.51261	0.2
102.05520	0.4
106.04894	2.0
106.06555	1.8
107.04929	4.9
109.05119	0.3
110.03503	2.8
110.06017	0.7
110.07146	0.3
120.08061	0.3
123.06755	0.2
124.07597	2.0
124.08469	0.3
128.04523	1.6
134.05989	31.0
135.02953	4.0
135.04376	2.6
152.05664	100.0
152.07016	17.8
152.10556	1.5
153.04034	8.5
161.27884	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	152.1068
Annotation	D-Cathine
Peak:m/z	Relative Intensity
53.64448	0.1
59.03476	0.2
62.72432	0.1
65.03931	0.3
69.88651	0.1
78.99969	0.2
88.00463	4.2
90.50676	0.2
91.05463	100.0
97.00980	3.9
99.51256	5.5
99.51897	0.3
104.79297	0.1
105.07014	4.2
106.01488	0.2
108.51756	1.8
110.06012	0.2
110.79235	0.1
111.02053	0.1
112.87950	0.1
115.05528	0.2
115.96445	0.8
117.06995	50.7
120.02511	0.2
124.07562	0.8
124.11182	0.1
133.97449	0.3
134.05919	0.3
134.09618	1.4
138.97955	0.2
152.01634	0.9
152.04205	0.7
152.05623	0.7
152.07036	1.8
152.07944	0.2
152.10670	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	153.0405
Annotation	Xanthine
Peak:m/z	Relative Intensity
55.01843	1.5
55.05501	1.9
56.96561	0.6
57.03431	2.4
58.65628	0.4
59.04977	0.6
65.03932	19.4
67.05486	2.9
69.03419	5.0
69.07043	2.9
70.94246	2.0
70.95844	2.1
71.04977	1.1
79.05485	7.9
81.03406	1.8
81.07037	5.0
81.45288	0.4
83.01342	0.6
83.04961	7.2
83.08629	0.5
85.02872	0.6
88.95310	0.5
88.96869	0.6
89.00237	0.8
91.05434	1.9
93.03383	26.2
93.07027	11.2
95.04950	7.7
95.08590	3.2
97.02866	0.9
97.06501	9.3
98.00745	0.8
98.97567	0.6
99.04439	0.6
100.51003	1.0
107.04933	9.8
107.08569	9.7
109.06516	3.1
109.10150	3.9
109.51579	0.8
110.03518	22.7
111.04420	80.4
111.08052	5.0
111.96847	3.1
111.98453	0.6
112.03899	0.8
123.07966	0.8
125.02333	2.4
125.05965	50.6
125.09609	2.9
128.04561	5.6
129.97908	0.9
133.05948	3.0
134.99661	0.6
135.02953	0.8
135.04408	4.4
135.05423	0.9
135.08034	5.3
135.09021	0.8
135.11687	3.3
136.01389	17.1
136.03932	0.5
153.04056	100.0
153.05438	29.4
153.06503	3.7
153.07677	1.7
153.08980	8.0
153.10138	0.7
153.11394	1.0
153.12685	9.0
154.02429	32.5
172.91763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
55.07965	0.3
60.13609	0.3
65.03944	32.9
65.09325	0.3
70.94248	2.6
70.95864	1.8
86.28368	0.4
88.96913	0.6
89.00247	0.7
93.03401	71.9
98.00776	1.6
100.51032	2.2
107.08575	0.7
109.51530	0.8
110.03668	8.6
111.04441	100.0
111.96881	3.5
111.98465	0.5
125.05987	81.5
127.66219	0.4
129.97928	0.6
134.06091	1.2
142.14406	0.4
153.05466	32.6
153.09039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.127
Annotation	alpha-Pinene oxide
Peak:m/z	Relative Intensity
51.31555	0.5
52.59173	0.5
55.01883	0.8
55.05495	0.7
57.03423	0.9
65.03942	4.4
67.05487	5.0
69.03417	0.8
69.04570	0.6
69.07047	11.1
70.06586	0.9
70.94247	0.7
70.95864	0.6
70.99180	0.8
71.04921	0.6
77.49439	0.9
79.05478	5.1
79.99720	3.9
81.07043	7.4
82.26485	0.5
83.04969	1.5
83.06116	1.0
83.08608	3.2
88.96876	1.0
89.00233	49.4
89.50376	0.9
90.55656	0.6
91.05421	0.9
91.50496	4.0
93.03370	5.9
93.07028	11.5
95.04946	4.2
95.06039	1.1
95.08597	4.8
97.02876	0.8
97.06512	6.4
98.00755	41.4
98.50841	0.7
100.01394	0.6
100.51024	100.0
101.01152	6.4
107.01273	2.7
107.04942	2.6
107.08573	13.8
109.10141	7.2
109.51540	22.7
110.03652	0.7
110.07133	4.2
111.04418	19.4
111.08025	4.4
111.09177	0.7
111.96839	1.0
112.01802	14.7
112.08711	4.4
117.95962	7.8
118.96761	3.0
121.02287	1.2
125.05962	13.1
125.09637	0.8
129.63264	0.7
135.08051	3.0
135.11665	35.3
135.96983	4.7
136.03978	1.4
136.08698	0.9
140.97523	4.1
153.03732	0.6
153.04259	1.0
153.05460	13.6
153.06517	1.0
153.07523	3.1
153.09081	4.0
153.10184	1.4
153.11336	10.5
153.12714	56.7
158.98555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0467
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
54.69250	0.1
71.51044	0.1
77.50903	0.1
83.03314	0.2
95.09753	0.1
96.59462	0.1
96.88273	0.2
98.98463	100.0
100.89513	0.2
113.17813	0.1
113.96426	0.2
116.99522	1.4
127.01557	8.2
147.32742	0.1
148.52541	0.1
155.04686	0.3
155.94925	0.1
156.23924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0419
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
52.03862	0.5
54.86988	0.5
69.88148	0.5
70.70885	0.5
74.09713	15.1
75.73505	0.6
75.82032	0.5
85.51331	0.6
92.80836	0.8
96.55021	0.6
96.96897	1.3
110.07145	18.4
110.80351	0.7
112.05243	3.4
123.49819	0.7
130.06273	13.9
156.04190	100.0
156.07695	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	156.0765
Annotation	L-Histidine
Peak:m/z	Relative Intensity
52.82535	0.1
56.05037	0.4
66.33215	0.1
68.04999	0.1
81.04500	0.2
82.05316	0.9
83.06091	4.2
93.04514	2.3
95.06070	6.8
98.66906	0.1
110.07146	100.0
111.05555	0.4
114.61343	0.1
115.01163	0.2
125.90637	0.1
133.03448	0.4
133.04517	0.2
138.06604	0.1
152.01645	0.1
156.07652	18.0
157.64296	0.1
160.33516	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	157.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99622	0.3
61.01138	1.6
63.99857	4.9
65.53080	0.3
79.02178	100.0
88.03986	0.4
90.39519	0.3
111.07472	1.3
125.01034	0.3
156.24544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05852	0.1
56.44833	0.1
64.64954	0.1
65.83396	0.1
65.92979	0.1
69.07059	0.3
70.06564	0.2
70.29055	0.1
74.93813	0.1
84.04491	0.1
84.05262	0.1
86.06081	0.1
88.07600	0.1
91.05461	0.1
95.08567	1.2
97.06467	0.3
98.06010	0.5
98.06820	0.2
98.09669	0.1
98.97556	0.9
102.09200	0.3
112.07558	0.5
112.08354	0.1
113.06004	0.1
114.05489	0.1
115.05433	0.2
115.96358	0.2
116.07037	0.4
116.98573	1.1
128.07068	0.1
130.06487	0.9
134.99623	0.8
140.06967	0.3
140.10635	0.1
141.09042	0.2
143.07297	0.4
157.08766	0.2
158.09596	100.0
158.15344	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	158.1176
Annotation	Homostachydrine
Peak:m/z	Relative Intensity
55.05500	2.7
56.05004	1.5
56.96561	1.8
57.07071	9.8
58.06586	2.6
69.03407	1.1
69.07059	6.1
70.06589	26.1
71.04989	19.2
71.08655	1.3
72.04496	1.6
72.08153	10.4
74.09702	1.6
74.93816	2.0
81.07054	1.5
82.06571	1.5
83.60993	1.3
84.04489	2.3
84.08113	2.3
85.02905	1.6
86.06063	40.1
87.05585	3.1
87.06837	37.2
88.07613	11.8
94.07393	1.7
95.08600	6.7
96.08124	2.1
98.06055	15.1
98.06634	1.6
98.09689	68.7
98.97578	39.9
100.07587	2.5
102.09177	36.3
110.06025	1.5
112.07576	11.7
112.08275	1.8
112.11250	11.7
114.05504	1.9
115.96417	2.6
116.07067	7.9
116.98605	32.1
117.10207	3.4
122.09651	5.5
130.06520	51.3
130.08632	1.7
133.97409	1.4
134.99663	18.2
140.07054	7.4
140.10695	30.9
153.00711	1.4
158.06012	57.4
158.08109	16.5
158.09711	13.9
158.11729	87.2
158.15387	100.0
158.19020	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	159.1017
Annotation	3-Oxovalproic acid
Peak:m/z	Relative Intensity
55.05516	1.1
56.51499	1.1
57.03443	44.1
57.07082	100.0
61.02926	1.0
67.05504	4.4
68.19383	1.0
71.04999	8.5
73.47337	1.0
76.93372	18.5
81.07047	8.0
85.02904	2.0
85.06544	38.2
87.04473	1.1
91.05454	1.4
92.16900	1.3
94.94417	8.1
95.04968	4.6
95.08613	16.8
97.06508	2.7
98.97571	1.4
99.04444	4.5
99.08096	4.1
103.07587	40.8
113.02328	1.5
113.06004	6.8
113.09628	1.3
114.05521	1.3
114.09196	1.0
117.95979	41.5
123.08076	7.1
127.03851	1.5
129.07002	1.3
131.04932	1.4
131.08525	5.7
132.08122	1.2
135.97020	12.0
141.01839	14.2
141.05408	3.4
141.09081	6.4
159.03017	1.4
159.04393	1.6
159.06633	2.9
159.08028	4.1
159.10161	47.2
159.11682	9.6
159.15764	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
64.04390	0.5
67.05484	1.4
70.57445	0.5
72.04495	0.6
72.08134	0.9
76.93355	4.9
79.05477	4.2
81.07033	2.8
86.34605	0.7
88.07577	0.7
91.05466	8.1
91.25911	0.7
93.07049	1.1
94.94405	3.3
95.08594	1.3
97.06531	1.1
102.19429	0.7
105.07014	8.7
117.07007	30.0
117.95981	11.3
129.07024	1.1
130.07790	0.7
131.08557	39.3
131.11784	8.7
135.97011	5.3
144.09296	1.5
157.10127	3.1
159.11674	100.0
159.15721	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	160.0966
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
52.53255	0.4
53.89954	0.4
55.05507	13.9
56.05032	1.8
57.04559	0.5
60.08151	4.4
61.01146	0.4
68.05015	0.8
69.07060	8.6
70.06583	9.1
70.99848	0.5
72.08125	0.4
74.02404	0.5
79.05462	0.6
81.01666	0.4
82.06581	0.7
83.04966	0.8
84.81539	0.4
86.06038	2.7
87.04446	4.2
96.08112	100.0
97.06511	1.1
100.07608	2.3
101.05997	6.5
104.07074	2.6
114.03741	4.1
114.05501	2.7
114.09143	59.3
124.07532	0.4
125.07132	0.5
137.01131	2.0
142.08612	34.8
155.02162	0.6
160.09654	85.0
160.10805	8.1
160.13266	18.0
170.49989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61693	0.2
57.97802	0.2
82.99824	0.5
92.17495	0.2
101.00869	25.5
102.00928	5.9
108.64255	0.3
109.34618	0.3
119.01902	100.0
120.01978	21.8
120.03220	0.4
125.02564	5.1
137.02945	22.5
138.03032	4.8
142.03487	1.4
143.03612	43.8
161.02937	6.0
161.04666	9.6
166.05200	0.4
179.03978	6.9
179.05458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01867	4.7
61.08781	1.2
79.05484	7.6
81.07048	1.9
85.02934	1.4
85.37813	1.1
90.04688	1.3
91.05474	5.9
97.02872	1.7
103.05450	9.9
105.07027	100.0
113.02359	6.1
115.05457	16.7
118.04138	9.3
119.08578	10.0
119.95728	1.4
120.05592	1.6
121.06365	1.6
127.96456	1.0
131.04962	2.5
131.31946	1.1
133.06470	58.6
133.10109	7.4
137.96747	1.7
138.03427	2.4
143.06029	4.7
161.05962	19.4
161.06989	1.4
161.08197	5.8
161.09633	9.9
161.13246	21.0
176.05817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0593
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01863	3.7
58.35377	1.6
73.40696	1.7
79.05474	8.1
85.79156	1.7
91.05463	8.9
95.04922	2.3
103.05452	11.2
105.07013	100.0
113.02344	3.5
115.05419	18.2
115.08707	1.5
115.20630	1.5
118.04147	8.0
119.08566	21.6
119.87874	1.7
119.95731	2.0
120.05552	1.8
125.21699	1.9
125.77623	1.9
133.06464	56.3
133.10092	14.0
138.03387	1.9
143.06032	2.6
161.05930	29.1
161.08185	8.4
161.09586	36.0
161.13229	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	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
54.22947	1.2
54.50389	1.1
55.01871	3.5
60.95842	3.2
75.65591	1.2
78.93113	1.8
78.95273	16.5
79.05473	10.3
86.00403	1.8
91.05465	3.5
92.17197	1.8
96.96318	1.7
97.02885	2.4
97.51186	3.0
103.05472	11.1
105.07017	100.0
106.01595	1.5
113.02386	5.5
115.05450	16.7
115.99271	1.3
117.53276	1.3
118.04136	8.1
119.08591	4.7
119.95715	6.0
119.97881	10.7
120.05580	5.2
121.06340	2.9
131.04913	2.2
133.06473	61.0
133.10132	5.3
138.01392	2.7
138.03380	12.5
138.06580	1.6
143.05991	5.2
143.08609	2.1
146.03719	1.7
147.12997	1.4
156.02454	3.0
161.04774	2.5
161.05952	21.4
161.08215	9.1
161.09587	9.3
161.13167	10.9
165.57417	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	161.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05508	0.8
56.04237	0.6
60.95822	0.8
61.56588	0.6
64.77992	0.6
69.03372	0.6
78.93126	0.8
78.95236	4.1
79.05479	0.8
86.00367	1.2
91.05460	5.4
93.04508	0.8
93.07015	0.9
95.00939	1.2
95.19936	0.7
97.51178	6.6
105.07010	30.5
105.45345	0.6
106.51698	3.9
107.04911	2.4
117.06958	2.5
119.08569	6.5
119.95673	2.6
119.97890	2.7
120.05534	4.2
121.06419	7.2
128.06169	4.3
130.68115	0.7
131.08524	2.8
132.05681	0.7
133.06502	5.0
133.10103	32.5
134.07092	1.1
138.01390	0.7
138.06535	0.9
143.08536	7.7
146.07230	8.7
159.08008	0.7
161.05960	2.3
161.08287	5.1
161.09567	100.0
161.13196	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	162.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64507	0.6
50.77822	0.6
52.13145	0.6
53.85792	0.7
54.50515	0.7
55.01859	3.1
60.04539	0.6
60.60885	0.7
65.15512	0.7
68.05017	13.7
73.02879	4.2
74.00653	29.9
74.02424	22.7
74.99053	7.2
88.03955	1.7
92.01688	27.7
95.90561	0.8
102.98487	4.5
105.06998	1.2
106.07323	3.5
112.03867	1.4
116.01652	100.0
116.07105	0.8
117.06928	0.9
118.06494	3.4
120.01138	39.7
120.06557	0.8
120.99532	53.2
121.00790	3.3
134.05945	5.5
134.06862	1.6
139.01793	5.7
144.02319	1.9
144.04396	5.4
144.08052	43.8
162.02156	83.4
162.03270	4.3
162.05412	52.8
162.07547	1.3
162.09064	11.5
162.10217	1.3
162.13641	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	162.0549
Annotation	Jineol
Peak:m/z	Relative Intensity
54.13791	0.3
54.59769	0.3
55.05503	0.6
56.05022	1.7
60.08165	0.4
68.05020	3.3
70.06588	21.9
72.64927	0.4
73.06546	0.8
74.02449	3.9
74.06052	1.5
76.04014	0.4
80.57336	0.3
84.04043	0.6
84.04502	13.5
85.02901	0.5
85.06533	2.0
86.06090	0.6
90.05527	1.3
94.88703	0.4
98.06052	2.5
98.09676	3.0
98.83495	0.3
102.05546	3.6
102.09171	1.7
102.96816	0.7
106.06533	2.6
106.08667	0.4
107.04888	0.8
112.08714	4.0
116.05339	8.1
116.06143	0.5
116.06309	0.5
116.07082	9.5
116.10702	2.7
120.06506	0.7
120.97916	0.6
121.00796	1.4
121.01649	0.6
126.05506	5.6
130.04976	3.8
130.09737	0.9
134.05989	8.3
134.08183	0.4
139.01790	2.3
144.02283	0.6
144.04431	12.1
144.06522	6.4
144.10156	2.8
144.11302	1.6
145.04956	0.9
162.05486	100.0
162.07692	2.8
162.11214	5.8
162.14821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0547
Annotation	Jineol
Peak:m/z	Relative Intensity
51.21641	0.2
56.05015	0.3
57.35671	0.2
58.06574	0.3
60.69801	0.3
76.52673	0.4
80.32633	0.3
84.04491	1.4
85.28427	0.3
89.03928	0.4
98.06027	0.6
106.06518	2.1
107.04923	0.4
116.04961	1.3
116.07067	1.9
121.00758	0.5
130.04933	0.3
134.06012	5.6
144.04425	8.3
144.06523	0.6
162.05464	100.0
162.11229	1.9
164.07474	0.3
172.25693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0547
Annotation	Jineol
Peak:m/z	Relative Intensity
53.62385	0.3
55.14040	0.3
62.45093	0.3
67.46557	0.3
74.28870	0.3
76.33674	0.4
79.05476	0.3
89.03878	0.6
98.06065	0.3
106.06512	1.8
106.07213	0.3
107.04908	0.6
115.43332	0.3
116.04939	2.4
116.06998	0.4
123.24870	0.3
128.35365	0.3
130.21933	0.3
133.05333	0.3
134.05988	8.1
134.06920	0.6
139.01753	0.4
144.04422	12.8
162.05460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0758
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
55.05502	2.0
56.05033	11.6
58.06596	0.7
59.07382	0.4
60.08160	6.5
70.06573	2.0
72.04487	0.6
73.06540	3.3
73.06869	0.4
81.92634	0.3
82.24232	0.3
83.08593	0.7
84.04491	100.0
84.08125	2.0
85.02884	2.2
87.04462	0.8
90.05543	3.3
98.06039	7.8
98.09682	5.0
99.04430	0.8
102.05516	2.8
102.09174	8.1
103.03918	8.3
113.02341	0.4
116.07069	61.0
116.10697	3.2
126.05499	0.4
126.09128	1.9
130.04979	24.4
134.05971	0.5
138.83061	0.4
144.06522	2.9
144.10172	2.2
145.03867	0.6
145.04930	9.0
162.05472	2.3
162.07594	8.7
162.11215	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	162.1122
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
55.05504	4.2
56.05034	12.8
58.06599	1.9
59.07388	0.3
60.08160	9.9
61.02922	0.3
68.05002	0.4
69.03426	0.4
70.06574	3.8
72.04523	0.5
73.06548	5.7
74.06104	0.4
76.07648	0.4
83.08605	0.7
84.04496	100.0
84.08150	3.8
85.02906	4.9
87.04446	2.1
89.92358	0.3
90.05543	4.8
95.01224	0.4
98.06043	7.9
98.09684	5.3
102.05537	3.8
102.09165	17.6
103.03934	15.5
116.07075	62.6
116.10717	3.3
126.05479	0.8
126.09135	3.2
127.07567	0.4
130.04987	27.5
144.06554	3.4
144.10191	3.3
145.04953	10.0
162.05450	2.1
162.07620	8.5
162.11227	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	163.0389
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
50.91126	0.2
53.03939	0.3
55.01861	0.6
57.07077	1.1
60.64005	0.3
62.20544	0.3
67.61592	0.3
69.03414	1.6
73.06527	0.6
79.05473	1.7
81.07057	0.6
85.02888	2.3
89.06000	0.7
90.32826	0.3
91.05479	4.6
93.07044	1.4
95.04932	2.0
99.04462	0.5
103.03961	1.2
103.04803	0.7
103.05463	16.6
104.06129	0.3
105.03407	0.5
105.04490	0.4
105.07002	1.2
105.72771	0.3
107.04945	10.5
107.08595	2.9
117.03397	0.6
117.07027	1.2
119.04928	8.4
119.08551	0.4
121.06516	0.3
121.10107	1.4
121.95766	0.5
127.03868	0.7
130.79103	0.3
131.04916	40.7
132.08058	1.6
133.02864	2.6
135.04416	5.4
135.08054	0.7
135.11649	1.2
145.06441	0.7
145.10120	1.4
163.03877	100.0
163.07512	11.4
163.11078	3.1
163.12355	2.5
163.14780	0.7
181.02879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0749
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
57.03448	0.3
58.12918	0.2
60.89219	0.2
61.02914	0.2
62.54508	0.2
69.03413	0.8
70.74078	0.2
77.03898	0.3
79.05495	0.5
79.89065	0.2
80.93068	0.2
85.02899	1.1
89.03954	0.2
91.05453	0.4
93.07039	0.4
95.04942	0.5
99.04451	0.3
99.78017	0.2
103.05451	41.2
107.04933	1.1
107.08598	1.1
116.96645	0.3
117.06988	0.8
121.10131	0.9
121.95696	0.8
121.96573	0.2
127.03873	0.4
131.04906	100.0
132.08060	0.4
133.02826	0.3
135.04404	2.0
135.08054	1.0
135.11615	0.2
145.02859	0.2
145.04868	0.2
145.06470	0.9
145.10124	0.8
146.01434	0.2
154.52838	0.2
163.03864	7.4
163.05875	2.0
163.07494	19.4
163.09729	0.5
163.11124	1.8
163.12274	0.7
163.14722	0.4
181.02965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0963
Annotation	Oleandrose
Peak:m/z	Relative Intensity
50.22562	1.0
53.23156	1.3
55.01869	1.6
55.05502	6.0
57.03433	24.9
57.07069	1.8
59.04999	2.6
61.02938	1.6
69.03429	11.1
71.04969	10.2
71.08620	28.2
77.20709	1.2
79.05491	15.5
81.03437	1.9
81.07049	83.5
83.04959	2.4
85.02888	17.0
85.06513	10.3
89.03886	2.1
91.05463	2.8
93.07000	1.9
95.04951	1.9
97.02898	2.8
99.04441	24.5
99.08079	64.4
103.03937	27.1
103.05441	19.0
105.07011	2.4
107.04948	7.2
107.08574	3.3
109.02858	2.2
109.06507	100.0
117.03363	1.7
117.05437	2.7
117.07000	2.0
117.09110	66.1
118.06504	5.9
118.13182	1.4
119.08493	1.8
121.06483	20.7
121.10134	2.1
127.03901	21.1
127.06668	1.3
127.07532	51.4
131.04910	68.4
135.04388	15.7
135.08067	5.6
135.11609	2.1
145.02829	6.6
145.04869	2.6
145.06522	2.6
145.10132	1.7
163.03870	37.7
163.05849	16.6
163.07516	14.7
163.08630	1.8
163.11125	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	163.123
Annotation	(R)-Nicotine
Peak:m/z	Relative Intensity
51.63128	0.6
53.03934	2.8
55.01876	9.6
55.05508	0.7
57.03439	11.1
57.07055	1.0
57.39244	0.6
59.04987	0.6
61.01141	1.2
61.02927	16.3
65.52338	0.8
69.03424	42.0
71.04971	3.7
73.02911	8.5
73.06531	1.0
75.03207	4.2
79.05473	0.9
80.05031	2.3
81.03414	11.2
83.01331	1.4
83.04941	1.3
84.08147	4.9
85.02898	100.0
85.05939	1.1
86.09678	1.3
87.04459	3.9
89.06007	0.8
90.66703	0.7
91.03938	2.9
95.05000	0.9
97.02885	20.6
99.04453	11.4
101.02357	5.3
103.03953	1.3
103.05455	6.6
106.06548	19.8
107.04908	1.4
109.02901	5.4
115.03910	1.6
116.19365	0.7
117.05734	6.3
117.61540	0.7
119.52479	2.8
120.02557	0.7
120.08096	8.5
121.00809	1.4
121.06461	1.1
121.95771	1.4
121.96620	4.2
127.03898	13.0
130.06517	35.0
131.04916	18.7
132.08075	68.7
135.04366	1.7
135.08058	0.8
139.01813	1.5
145.04857	3.7
145.06537	1.7
163.01862	5.5
163.03879	15.5
163.05864	14.4
163.07538	7.0
163.12283	98.4
181.02869	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	164.0706
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
66.12513	0.2
78.95280	0.3
82.01450	2.0
82.07392	0.4
84.08864	0.2
91.05479	3.6
93.07030	0.5
95.04947	0.4
100.02480	6.9
104.05808	0.4
108.04469	1.0
108.89822	0.2
109.50580	0.2
110.06854	0.5
118.03503	2.3
119.04934	13.8
119.97874	0.3
121.06499	8.4
122.06041	4.7
123.04418	0.3
132.05267	1.2
136.07587	0.8
146.05991	0.3
147.04405	100.0
162.40749	0.2
164.03387	7.7
164.07051	25.0
164.10657	0.4
164.11992	0.3
172.51695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0931
Annotation	6-Dimethylaminopurine
Peak:m/z	Relative Intensity
54.45757	0.2
55.72246	0.2
62.92979	0.4
63.92932	0.2
68.67973	0.2
69.85241	0.2
78.95271	1.3
80.78432	0.2
82.01423	0.3
100.02480	3.6
108.04461	0.4
118.03537	1.7
119.97896	1.6
120.04280	0.2
121.05107	0.4
121.96585	0.9
122.94226	0.8
122.96950	0.8
123.06635	0.2
136.03831	0.3
136.07602	0.3
140.95239	0.8
141.01410	0.3
146.01936	0.2
146.05972	0.3
149.06947	0.8
158.96320	0.8
162.07727	0.3
163.96828	0.2
164.03369	7.0
164.09303	100.0
181.97826	0.4
182.03122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18982	0.2
65.44389	0.2
68.66866	0.3
82.01401	0.5
82.99842	1.5
83.01524	1.2
100.02440	1.9
101.00861	24.4
101.02563	2.7
101.20972	0.2
109.01765	0.2
118.03516	0.3
119.01894	77.3
119.95514	0.2
121.02307	0.3
124.02421	12.6
137.02933	14.8
142.03474	100.0
160.04518	18.1
165.05064	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	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19478	0.2
69.03396	0.2
71.03815	0.2
77.03900	0.4
77.82846	0.2
91.05448	1.7
93.07019	1.0
95.04959	18.7
100.77624	0.2
101.00857	0.4
103.05442	0.4
115.98126	0.3
119.01906	2.8
119.04919	3.7
121.06487	1.7
123.04415	100.0
123.49300	0.7
124.02486	0.2
137.02922	0.9
142.03477	4.5
147.03227	0.2
147.04396	5.8
160.04533	0.8
161.69435	0.2
165.05446	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	165.0543
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03931	0.3
55.01864	0.5
59.04963	0.3
65.03921	0.4
67.05492	3.0
67.20142	0.3
67.63779	0.3
69.03399	2.2
69.07050	0.4
71.05009	0.3
76.10387	0.3
79.05475	1.7
81.03410	0.4
81.07027	1.7
83.04955	0.8
85.02866	0.7
89.05997	0.6
91.05460	8.8
93.07005	2.0
95.04936	3.2
95.08585	3.7
101.00816	0.5
101.02535	1.8
103.05443	0.6
105.07011	2.8
107.04860	0.3
107.08616	0.5
109.02811	0.6
109.06487	2.1
109.10108	4.0
119.01892	5.6
119.04913	27.0
119.08546	7.5
121.10103	0.7
123.04412	4.2
123.08022	6.9
124.03919	3.6
129.05424	0.4
133.02785	1.8
137.02925	1.9
137.05966	2.1
137.09583	12.1
142.03470	6.6
147.04375	100.0
147.07980	5.5
147.11638	0.6
154.59335	0.3
155.10689	0.4
156.98436	0.3
160.04538	0.7
165.01811	0.6
165.03993	0.7
165.05394	6.1
165.07622	0.7
165.09012	8.0
165.10246	0.5
165.12648	1.2
182.97479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.01595	0.6
51.57974	0.6
54.91833	0.4
61.69718	0.5
62.30286	0.5
82.01426	3.3
83.01493	5.7
91.05460	18.2
93.07027	3.2
95.04934	10.9
100.02454	7.4
101.00858	11.2
101.02534	18.7
103.05452	87.8
104.48122	0.5
105.04451	0.6
118.03503	2.5
119.01897	45.4
119.03590	7.1
119.04895	2.1
121.06477	13.3
123.04402	100.0
123.95509	1.3
124.02416	5.6
136.25983	0.6
137.02917	8.4
142.03471	58.4
142.07321	0.6
147.04384	81.3
160.04515	12.1
165.05319	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	165.0543
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.68463	0.1
58.52182	0.1
65.03930	0.4
70.57545	0.2
78.39512	0.1
91.05458	4.9
95.04962	0.4
95.08598	0.2
101.02567	0.2
103.41495	0.2
105.07038	0.2
107.88641	0.2
119.01862	0.6
119.04915	19.1
119.08531	0.6
123.04395	1.3
124.03930	0.4
133.02780	0.3
137.05957	0.2
142.03450	1.0
147.04378	100.0
158.13779	0.2
165.05417	2.7
165.09085	0.9
165.12645	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	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
54.57192	0.1
59.54967	0.1
61.13409	0.1
70.78280	0.1
75.62637	0.1
77.03910	0.2
82.37396	0.1
91.05454	0.9
93.07019	0.7
95.04958	17.5
95.88429	0.1
101.00869	0.1
103.05472	0.8
105.04510	0.2
119.01912	0.8
119.04926	2.7
121.06465	1.5
123.04415	100.0
123.49297	0.7
137.02977	0.1
137.05919	0.1
142.03485	1.0
147.04399	5.3
160.04524	0.2
165.05420	0.7
179.67096	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	165.0543
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.03949	0.4
55.75724	0.2
56.44920	0.3
64.50883	0.3
77.03899	0.3
89.25539	0.3
90.91577	0.3
91.05461	4.0
93.07017	1.1
95.04949	24.1
101.00896	0.5
103.05467	1.6
105.04471	0.3
109.06494	1.3
119.01884	0.6
119.04916	19.9
121.06461	1.5
121.07232	0.3
123.04403	100.0
123.49292	0.4
125.71626	0.3
129.79469	0.3
137.06015	0.9
138.27666	0.3
142.03464	2.3
147.04395	12.3
147.05490	1.2
154.79680	0.3
163.74332	0.3
165.05453	2.1
165.06664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0723
Annotation	7-Methylguanine
Peak:m/z	Relative Intensity
56.05021	0.3
67.05535	0.3
70.06570	0.5
70.95354	0.2
74.02430	1.2
75.02703	0.2
80.94947	1.4
84.04526	0.2
85.86720	0.3
91.27817	0.2
95.04956	0.5
96.04475	0.3
96.05283	1.0
102.02254	0.3
106.90488	4.3
119.01938	0.5
120.01997	2.1
120.05260	0.4
120.08083	1.7
121.97558	1.0
122.06016	0.4
123.04403	2.1
123.96426	0.4
124.03890	1.0
124.04818	7.2
124.93864	0.4
124.96776	0.4
127.05787	0.2
136.99524	0.2
138.05498	0.5
142.06097	1.8
142.94925	0.3
142.96669	1.1
143.03592	3.2
147.93066	0.4
148.03847	0.4
148.07565	1.6
149.04570	5.5
153.04080	0.5
160.95952	1.3
161.04619	0.4
165.96533	0.5
166.04964	5.2
166.07233	100.0
166.08533	6.2
167.05620	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	166.0859
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
60.08109	0.1
63.26966	0.1
63.82904	0.1
65.67368	0.1
70.45885	0.1
71.75348	0.1
72.93967	0.1
79.05455	0.2
84.35072	0.1
85.98498	0.1
91.05476	0.2
93.07001	0.7
95.04913	0.1
103.05439	5.0
107.04916	2.1
108.44127	0.1
114.39207	0.1
120.08063	100.0
131.04874	3.2
135.17157	0.1
147.86070	0.2
149.05908	0.8
166.08543	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	167.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80190	0.4
60.81388	0.4
66.92378	0.5
66.92773	0.4
78.30515	0.4
84.99617	0.9
102.02235	1.8
103.00622	26.1
103.01212	1.3
119.01909	1.0
120.01959	4.5
121.01641	90.3
121.02306	4.4
122.97710	0.6
126.02144	8.5
139.02672	21.2
143.03581	3.1
144.03201	100.0
160.62306	0.5
160.78458	0.5
162.04239	18.1
163.06895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.07
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
51.46844	0.8
55.01857	1.8
55.05503	1.0
57.03422	0.8
65.15422	0.9
67.05482	2.2
69.07055	2.3
72.72948	0.9
79.05478	10.4
79.53989	0.9
81.03407	1.2
81.07044	6.7
83.04961	2.1
85.06510	1.2
93.07033	11.1
95.04963	1.6
95.08568	1.3
97.06510	2.0
101.60886	0.9
102.94832	1.1
105.07008	1.9
106.04185	1.0
107.04935	4.2
107.08577	28.5
109.06490	10.3
110.03645	4.5
111.04411	5.2
111.08077	1.4
118.19564	0.9
121.01640	1.8
121.02837	1.8
121.06489	5.2
121.10135	12.7
123.04404	1.9
123.08030	2.3
125.05964	22.8
125.08196	1.2
125.09605	3.5
125.96382	2.2
128.03528	0.9
131.08565	5.2
139.07498	4.7
144.03271	1.6
147.91496	1.1
149.02333	1.4
149.05972	4.6
149.09598	20.1
149.13255	1.2
167.07004	100.0
167.10619	15.1
167.15474	1.8
183.27629	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	167.0701
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
54.70539	0.1
55.01865	1.0
55.05504	0.5
57.03432	0.2
57.07071	0.2
59.04994	0.2
65.03930	1.2
67.05489	0.5
69.03413	0.6
69.07040	0.5
71.04945	0.1
73.02901	14.4
77.27106	0.1
79.05478	1.6
81.03390	0.2
81.07021	1.2
83.04966	2.7
83.08598	0.3
85.06536	0.7
91.05464	0.8
91.48174	0.2
93.07020	1.9
95.04941	2.9
95.08582	0.7
97.06525	1.3
97.10159	0.5
103.05476	0.3
105.07028	0.7
107.04932	0.8
107.08578	3.5
109.06471	2.3
111.04421	1.0
111.08035	0.2
119.04914	3.1
121.02835	100.0
121.06463	4.8
121.08344	0.5
121.10113	2.7
123.04392	0.2
123.08043	0.6
125.05955	0.6
125.09590	1.4
125.96410	0.2
131.08530	0.7
139.02638	0.2
139.07509	0.9
139.11157	0.7
144.03229	0.6
149.05945	38.4
149.09564	1.7
159.21107	0.1
161.94963	0.2
167.03297	0.2
167.06978	9.4
167.08138	0.4
167.10606	2.2
167.14273	0.2
167.82240	0.1
178.96025	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	167.1428
Annotation	Norecasantalol
Peak:m/z	Relative Intensity
51.04856	1.3
51.65719	1.2
52.54200	1.5
55.05515	16.2
57.03432	6.1
59.06120	1.7
67.05499	25.2
68.88456	1.6
69.07059	60.7
70.27431	1.6
71.04989	11.6
79.05482	18.8
81.07048	36.9
82.06534	2.1
83.04929	3.0
83.08120	2.2
83.08611	62.2
85.02849	1.5
85.06539	11.6
91.05489	2.0
93.07029	29.0
93.90137	1.5
95.08586	11.5
95.65038	1.5
97.06498	14.5
99.08074	3.6
107.04917	3.3
107.07932	2.5
107.08583	32.1
109.06474	8.7
109.07613	8.2
109.10129	7.9
111.08053	23.4
121.02849	2.5
121.06474	2.3
121.10135	20.6
122.07098	2.8
123.04379	3.9
123.11639	5.6
125.05953	2.6
125.08192	2.3
125.09642	6.2
125.96414	2.4
126.10246	2.6
131.08585	2.3
139.07471	2.9
139.08487	1.7
149.02332	2.5
149.05983	2.5
149.09563	8.3
149.13231	87.8
149.14435	3.0
150.10205	6.6
152.04691	1.7
167.06999	54.0
167.08275	4.3
167.10579	12.7
167.13010	4.5
167.14270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.9639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80256	0.7
67.70467	0.8
67.92501	11.3
71.97942	1.0
72.93774	1.0
77.43336	1.0
80.69965	1.0
82.94836	40.7
85.01575	0.9
85.93546	4.3
85.94609	1.0
88.10969	0.9
90.94810	3.9
100.95885	2.0
102.02213	2.2
103.00631	24.0
104.00977	6.9
120.01991	1.6
121.01645	100.0
122.01951	41.1
123.97433	34.1
126.02194	4.6
126.93756	26.3
126.97213	2.0
127.02523	5.8
139.02687	21.7
140.02997	10.6
144.03209	59.6
144.94795	22.5
144.98247	2.2
145.03577	99.4
149.96104	4.6
162.04219	14.6
162.95842	29.9
163.04605	22.2
167.04813	1.6
167.96317	11.2
168.05211	1.3
185.97450	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	168.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.4
56.72728	0.2
61.01138	0.8
62.99063	0.2
63.17970	0.2
69.00999	0.4
69.03406	0.3
70.32497	0.2
74.02417	2.1
76.00595	0.2
77.02265	0.3
79.02168	1.2
81.03411	0.3
90.00607	1.0
90.05538	0.9
91.49958	0.3
92.48914	0.2
94.06543	0.4
95.06055	1.8
96.04482	1.1
99.01122	3.6
100.00095	0.9
100.50503	9.1
102.05541	0.4
108.01665	100.0
108.51729	6.0
109.02882	0.9
109.51001	1.5
111.92671	0.2
112.01284	0.2
117.02191	3.2
119.52450	3.0
121.01730	0.2
121.50102	2.0
122.06018	0.7
124.03928	0.3
124.08711	0.2
125.04559	0.8
126.05470	1.3
126.06563	0.4
127.03893	0.9
129.01259	3.6
130.50627	58.6
131.00671	3.3
131.01752	0.2
131.98866	0.2
138.01793	41.5
138.05440	1.8
138.51862	2.4
142.01407	1.2
142.73296	0.2
149.52539	1.5
150.05464	5.8
151.02356	0.4
151.06064	0.3
165.35658	0.2
168.05112	8.3
168.06517	5.1
168.07652	0.9
168.10106	0.7
176.08778	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	170.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94674	0.4
67.77120	0.4
91.25446	0.4
92.04989	0.8
93.05783	1.0
96.74155	0.5
105.97626	0.6
110.06043	0.9
114.98130	0.6
115.04721	0.8
115.05454	13.9
118.04723	1.8
124.07553	2.1
125.48266	0.4
126.56012	0.8
127.05196	0.5
128.95036	4.8
131.55183	0.8
132.04411	1.1
136.33604	0.6
140.55782	4.6
142.06537	17.8
142.08607	0.4
146.96107	2.3
146.97321	0.5
149.05951	0.4
149.56299	12.9
152.07077	3.0
160.07594	0.6
170.05998	100.0
170.09561	9.3
170.15274	0.6
178.76381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0809
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
51.19133	0.5
55.05494	0.9
56.05034	1.2
58.06611	0.5
66.03467	0.6
67.05521	0.6
68.05018	2.4
70.06586	1.0
71.04970	0.8
72.04520	0.7
73.89802	0.6
79.02187	1.2
79.05497	1.3
81.07056	0.8
82.06578	4.6
83.04948	1.0
83.06100	2.5
84.04499	11.2
93.05785	0.9
95.06094	1.1
96.04471	1.0
96.06291	1.0
96.06868	16.0
96.08106	6.0
97.07644	5.2
97.76187	0.7
100.07619	1.0
108.01678	3.8
109.01505	1.3
109.07632	18.3
110.01345	2.7
110.06036	2.7
110.07170	0.8
111.04421	2.6
114.05518	12.8
116.97249	0.7
122.05949	0.8
124.03928	3.2
124.05033	1.0
124.07573	11.6
124.08690	5.9
124.11165	1.2
125.07128	1.0
126.05547	0.8
126.10249	8.2
128.03430	1.1
128.07068	3.8
128.95076	4.9
130.50607	1.5
133.03493	0.8
134.06007	28.3
134.07037	1.2
135.08025	1.4
138.01813	2.5
142.04980	17.9
142.08606	5.8
146.96126	4.0
146.97379	1.2
149.54865	0.7
152.07053	100.0
153.07455	2.2
155.03418	0.9
170.04420	2.8
170.05710	4.6
170.08099	42.2
170.09344	20.3
170.11569	7.3
170.15436	0.9
177.99979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1173
Annotation	Piperidione
Peak:m/z	Relative Intensity
50.84300	0.2
50.95704	0.2
54.70275	0.2
62.91535	0.2
65.61629	0.2
67.05491	0.5
69.07049	0.2
70.06598	0.3
81.07034	0.3
82.06559	0.4
83.04999	0.3
86.01167	0.2
88.96870	0.3
91.63261	0.2
93.05755	0.4
93.87677	0.2
96.04493	0.3
96.08067	0.2
100.07584	1.4
110.03192	0.4
110.06005	1.0
111.04342	0.3
112.04716	0.3
114.97144	0.3
124.07541	1.1
124.08348	0.2
124.11194	6.0
128.07031	0.4
128.94409	0.2
128.95084	3.6
141.05392	0.3
142.05789	2.6
142.08574	0.3
146.96115	2.7
152.07034	1.5
152.10641	1.6
152.64868	0.2
155.03323	0.3
170.05367	1.8
170.08006	2.7
170.09644	3.9
170.11710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.7
57.07066	22.1
64.61215	2.6
67.05495	5.5
69.07048	100.0
71.04982	3.8
71.08607	14.6
72.04502	3.6
72.08127	5.9
78.30299	2.6
79.05501	4.3
81.07043	27.2
83.04946	12.1
83.08597	21.7
86.06034	14.9
86.09660	3.2
92.04977	3.7
93.05778	5.0
93.07018	25.6
95.08585	15.1
97.06499	44.0
100.07580	44.6
107.08567	33.9
109.10146	12.7
110.07101	4.3
111.08053	19.2
111.11685	30.3
114.09134	43.7
124.07541	3.6
124.08436	3.4
125.14575	2.8
127.29806	2.7
128.10660	3.1
128.95052	14.5
135.11656	79.3
146.96049	4.6
148.82892	3.0
153.12703	72.5
154.15057	2.8
170.08157	7.7
170.09570	73.4
170.15315	84.1
179.34332	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	171.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
83.99920	53.9
85.82435	63.9
93.28225	60.0
131.54027	75.2
159.55240	100.0
166.84647	62.2
179.78828	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	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
54.98499	0.4
55.01860	1.1
55.05518	3.7
57.03436	0.5
65.03941	8.7
65.19405	0.4
67.05493	2.1
67.53548	0.4
68.45316	0.5
68.95289	1.8
68.99794	3.5
69.07049	3.9
71.04972	2.3
72.04506	5.8
72.08147	0.6
79.05471	2.9
81.03382	0.8
81.07041	0.9
83.04980	8.7
83.08629	3.8
83.09043	0.4
84.04502	1.1
85.02888	0.7
86.06051	0.5
86.09702	6.3
87.04454	0.6
88.95286	0.8
89.07151	8.0
93.03391	3.8
93.06993	2.1
95.04924	1.2
95.08627	0.6
96.02099	0.5
97.02884	0.6
97.06520	3.9
97.10165	0.8
99.04450	0.7
100.11245	0.6
107.04959	0.7
107.08595	2.5
107.47604	1.7
109.06476	0.5
111.04430	64.9
111.08076	3.2
115.98169	2.3
116.48121	2.8
121.02863	1.1
121.03976	5.0
124.98695	0.8
125.05950	4.5
125.09619	2.8
125.10689	0.9
127.03931	0.8
127.98918	0.6
135.04419	0.9
135.08069	0.7
135.11641	0.8
139.03893	100.0
139.77431	0.5
143.11803	0.5
147.96739	1.2
153.05469	1.2
153.06589	0.7
153.09073	1.9
156.03807	0.6
165.97818	0.6
169.32182	0.5
171.02779	0.7
171.06503	10.6
171.10007	3.0
171.11339	2.5
171.14905	8.5
174.74138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01876	7.5
55.05511	100.0
55.57137	0.9
56.05014	1.4
57.03415	1.0
57.04540	1.6
59.04987	1.6
59.06116	8.4
60.04512	1.0
60.05650	7.1
63.88255	0.7
67.05510	13.5
68.05037	1.3
69.03419	7.6
69.07060	16.7
70.04060	0.9
70.06576	8.8
71.04977	1.3
71.06086	2.3
71.07348	1.9
72.04511	37.9
72.08153	19.1
73.04039	0.9
79.05486	18.7
81.06663	1.2
81.07051	17.2
83.04961	4.5
83.06064	5.3
83.08613	63.0
84.04491	9.4
84.05624	0.9
84.08083	1.1
85.06521	1.2
85.07664	8.0
86.06057	1.6
86.07159	5.4
87.04430	1.4
87.05560	1.9
87.06691	0.8
89.07142	58.2
91.05436	1.9
93.07017	5.5
96.08112	1.1
97.06509	1.2
97.07625	1.9
97.10161	76.3
98.07149	1.0
99.05613	1.2
99.09170	1.0
100.05079	2.3
100.08711	1.8
101.09624	1.7
107.08588	20.9
109.07616	4.0
110.07160	13.8
111.05530	5.9
111.08031	2.2
111.09192	36.6
112.05077	16.1
112.07568	3.6
112.08752	6.7
112.09354	0.9
113.07057	1.0
113.10762	12.1
115.08649	1.0
124.05059	1.2
125.07108	0.9
125.09628	23.1
126.05454	1.1
126.06583	5.6
126.10240	6.0
127.08646	1.2
127.09791	1.0
127.12315	2.0
128.08150	6.2
128.11783	6.3
129.07722	3.1
130.02429	1.6
130.05008	8.5
130.09723	1.2
135.07991	3.5
137.07054	4.8
143.08510	1.3
144.11273	1.1
153.11279	1.3
154.06076	2.1
154.08585	1.9
154.09708	14.0
154.13365	7.9
171.09842	5.1
171.12552	15.5
171.14861	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0965
Annotation	N-Butyryl-L-homoserine lactone
Peak:m/z	Relative Intensity
50.28175	0.6
56.05024	0.7
67.05489	0.8
69.03407	0.7
72.08130	0.7
72.73521	0.6
75.36406	0.7
78.53458	0.7
82.06509	0.7
84.04492	11.4
84.08115	4.6
85.02893	15.5
86.06026	1.1
87.04441	1.7
89.94028	3.1
90.83102	0.8
95.01341	0.9
98.06025	1.2
102.05529	13.4
102.62678	0.8
112.03954	1.7
112.07571	4.7
126.05473	4.1
126.09129	4.8
127.03844	1.0
130.04980	100.0
130.08594	1.3
130.96619	4.2
131.05502	1.9
137.02324	1.3
144.10211	1.0
148.97676	6.9
153.24573	0.9
154.04947	1.2
154.08614	4.8
155.11787	1.4
172.04045	0.8
172.09645	68.5
172.13196	2.9
172.16884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.133
Annotation	Gabapentin
Peak:m/z	Relative Intensity
55.05495	3.7
55.66698	0.5
56.05033	44.0
56.26868	0.5
57.03437	0.5
57.07067	1.2
58.06572	0.8
59.06130	4.4
60.04507	1.5
60.05627	0.7
67.05498	17.1
68.05013	1.5
69.03394	0.9
69.07054	17.3
70.06567	4.1
71.04971	3.3
72.04502	2.9
72.08160	0.9
73.04043	0.7
74.04802	1.3
74.06036	0.7
74.94287	0.6
79.05473	0.8
81.07024	3.7
82.06551	1.2
83.08612	1.3
84.04482	1.5
84.08118	3.0
85.06515	0.6
85.07610	0.8
86.06046	0.7
87.05576	0.6
88.07575	0.6
89.29844	0.6
91.05473	6.5
93.07040	7.7
95.08591	15.3
96.15845	0.6
97.10101	0.6
100.07575	0.8
101.07127	6.3
107.08576	0.7
109.10139	39.4
110.09633	1.2
111.08063	2.9
111.11719	5.1
112.05041	0.7
112.07587	1.0
112.08694	2.4
112.11206	1.3
113.07104	1.3
114.09161	0.9
119.08560	9.8
125.09603	0.7
126.09114	0.9
126.12740	2.8
130.12268	0.7
136.11169	7.7
137.09604	12.5
154.12242	100.0
155.10620	2.3
155.11821	0.7
172.06042	1.2
172.07382	1.1
172.08536	0.9
172.10904	2.9
172.13275	32.6
172.16887	2.5
173.11707	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	173.1168
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
55.05496	7.1
57.03420	1.4
57.07054	3.5
59.04979	7.3
60.92959	0.5
67.05489	96.6
69.07048	1.1
71.04966	3.4
72.93757	1.1
76.33717	0.6
79.05466	1.1
81.07039	13.5
83.08606	10.5
85.06522	3.4
86.20179	0.6
87.11007	0.6
90.94801	2.6
91.05461	3.0
91.56726	0.6
93.07007	3.6
95.05004	0.6
95.08565	5.0
97.06503	1.2
100.07589	0.7
103.03264	0.7
109.10126	100.0
111.08031	3.8
117.06982	2.9
119.08549	5.9
130.06454	0.7
130.15868	3.5
131.08498	7.6
137.09575	1.3
145.07556	0.9
145.10088	5.3
155.10648	1.3
158.10828	0.7
173.05791	0.8
173.08002	2.5
173.09521	4.1
173.11678	9.9
173.13188	12.4
173.16454	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	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.81472	0.7
55.01873	1.0
59.04979	1.1
60.05640	1.2
61.06578	0.8
69.03409	1.0
69.07042	1.5
70.06570	3.5
72.12826	0.8
79.05489	1.3
81.07039	1.0
85.02886	1.2
87.04441	1.8
91.05466	25.3
93.07013	1.3
95.08572	1.0
96.28614	0.8
103.05457	1.4
104.06233	3.7
105.07010	3.4
107.04936	5.3
115.05455	17.0
116.07055	0.9
117.07002	10.8
119.04914	4.5
119.08563	41.6
125.43375	0.8
128.06198	5.5
129.06979	12.5
131.04916	1.2
131.08510	1.3
132.05699	25.8
133.10139	7.9
139.47878	0.9
143.04892	4.8
145.06487	2.0
147.04378	3.4
147.08035	39.8
147.11650	1.8
155.05995	1.3
157.04198	1.3
158.09250	0.9
160.05170	27.5
175.07509	100.0
175.10924	6.3
175.14745	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	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.84527	1.3
55.01869	1.7
55.05516	1.6
55.81677	1.3
60.05634	8.4
70.06594	14.2
70.48502	1.3
72.08128	1.5
75.04500	1.5
83.04966	3.0
83.08615	3.5
85.02882	7.5
87.04435	6.3
91.05481	30.0
93.07089	1.8
97.02863	2.0
104.06240	2.3
105.07027	7.7
107.04926	1.8
111.04392	2.8
115.03971	1.7
115.05438	14.3
116.07088	9.0
117.06992	12.1
119.04935	6.9
119.08579	37.6
128.06226	3.8
129.06998	12.6
130.09729	2.5
132.05714	21.0
133.10123	9.0
134.05991	10.3
135.47063	1.5
143.04953	2.7
145.06456	2.3
147.04390	3.4
147.08046	42.2
147.11749	2.7
157.10097	2.0
158.05959	3.0
158.09207	2.8
160.05206	30.9
173.30525	1.6
175.03889	7.3
175.07521	100.0
175.11169	11.7
175.14810	17.7
194.34518	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	175.0864
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
50.44817	0.3
50.66160	0.3
55.05513	0.4
57.03441	0.8
60.05641	10.9
67.05505	0.4
69.03426	0.4
70.06582	17.1
72.08137	0.8
78.28648	0.3
82.02931	2.5
83.08602	0.6
85.02884	2.8
92.16828	0.6
94.06538	5.3
97.02828	0.4
103.05383	0.6
104.04987	0.6
111.04436	0.9
112.08694	0.7
115.03876	0.7
115.05428	0.6
116.07067	9.6
121.00756	0.4
130.06505	63.7
130.09731	3.0
132.04430	77.5
133.10110	0.5
139.01828	0.5
147.06349	2.7
147.09196	1.0
157.06238	0.7
157.07582	37.7
158.05983	100.0
158.09250	2.4
175.05934	2.6
175.08629	25.7
175.11867	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	175.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76522	0.2
53.03930	0.5
55.05508	26.1
56.70597	0.3
57.03438	1.0
60.05647	3.0
66.28711	0.3
66.92838	0.3
67.05489	0.3
69.07054	1.2
70.06584	5.2
71.82742	0.3
72.08160	0.4
83.04968	100.0
83.08608	1.5
85.02897	3.2
87.04459	1.5
91.05457	2.6
92.17398	0.6
97.02888	0.4
97.06509	0.3
101.05965	2.6
105.06996	0.6
107.04980	0.3
112.08700	0.3
116.07063	3.1
119.04930	1.8
119.08547	3.5
126.41547	0.3
130.09721	0.7
132.04445	0.5
133.10072	2.7
147.04393	1.2
147.08052	0.5
147.11668	0.5
154.08675	0.3
157.07486	0.4
157.08667	2.1
157.09799	0.3
158.06055	0.6
158.09277	1.2
160.05205	0.5
175.03822	0.7
175.07507	1.3
175.12077	3.2
175.14807	4.9
186.75627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1114
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01878	1.0
56.34251	1.0
67.05482	1.1
79.30389	1.0
81.07029	2.7
87.04428	6.5
91.05439	4.8
91.49773	1.1
93.07001	4.5
95.08562	1.3
99.13944	1.0
105.07014	29.4
107.08579	2.4
116.07068	1.5
119.08567	24.2
121.06420	2.5
131.08522	5.1
133.06470	5.4
133.10094	27.2
142.07726	5.9
146.07162	1.4
147.08029	6.4
147.11670	34.5
157.10078	12.4
160.08771	6.3
175.04944	1.8
175.07475	4.1
175.09959	3.8
175.11122	100.0
175.14700	11.8
182.05836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05649	60.3
69.07987	0.4
70.06590	100.0
71.05006	0.6
72.08150	6.7
75.91807	0.4
84.08160	0.6
88.07649	0.5
112.08736	5.6
113.07163	0.6
114.10259	1.7
115.08698	1.8
116.07086	61.2
130.09761	23.7
130.10510	0.6
138.10252	0.4
157.10822	3.3
158.09233	18.6
175.11891	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	175.1477
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05495	2.5
60.05621	1.4
60.08324	0.9
69.07046	9.1
70.06573	1.2
79.05483	1.2
79.69656	0.9
81.07038	14.0
83.08614	1.7
87.04448	1.6
91.05450	7.5
92.26421	1.0
93.07025	4.5
95.08589	10.1
103.62965	1.0
105.07006	17.8
107.08574	9.0
109.04475	1.0
112.71119	0.9
115.05433	1.8
119.04880	1.1
119.08553	55.6
120.09290	1.1
121.10124	1.4
131.08533	4.0
133.10101	66.0
145.10077	1.4
147.07993	4.2
147.11676	13.2
157.10010	1.5
160.05164	1.9
160.12401	2.2
175.07446	12.3
175.08473	0.9
175.11224	2.3
175.14777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05636	4.9
60.96446	0.9
61.05968	1.1
70.06580	7.3
71.06900	6.8
74.19961	0.8
81.88111	0.8
88.86923	0.9
97.42652	0.9
101.53792	0.7
105.95213	0.8
116.07053	4.0
117.07382	5.3
125.52515	0.9
126.23691	0.8
131.10080	1.4
132.02086	100.0
163.42679	0.8
167.48003	0.8
168.38660	1.0
176.01054	21.5
176.12236	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	176.0704
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
51.14699	0.1
51.51277	0.1
57.14904	0.1
58.96161	0.2
61.66764	0.1
64.04111	0.1
65.95714	0.1
66.31212	0.1
70.37363	0.1
84.41803	0.1
88.32781	0.1
92.17179	0.9
95.68437	0.1
98.97581	0.1
103.05456	0.8
116.98538	0.1
130.06508	100.0
131.06804	0.4
176.07016	7.8
176.10632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0704
Annotation	3-Hydroxy-2-methyl-1H-quinolin-4-one
Peak:m/z	Relative Intensity
53.31994	0.4
57.03415	0.8
57.77735	0.5
57.93544	0.5
60.05600	0.5
62.00048	0.5
70.06570	1.2
71.06893	1.3
72.08136	1.1
75.94586	1.0
79.35391	0.6
79.99853	0.5
86.06042	3.7
87.04446	3.8
89.65634	0.5
94.06532	1.1
95.06119	3.8
95.08599	0.8
98.06033	1.2
98.97565	7.1
102.05486	0.5
103.05499	0.5
104.07075	2.5
112.07590	0.6
114.05506	2.1
116.07044	1.0
116.97211	19.1
116.98561	7.9
120.04447	0.6
120.08122	1.3
126.05537	0.7
130.06509	12.3
130.08704	0.7
131.04880	0.9
131.06924	0.8
131.99542	4.8
132.04422	1.1
133.04764	0.7
133.77084	0.6
134.95837	2.1
134.99629	5.8
135.04434	0.6
140.07079	0.7
141.09105	0.8
146.06021	0.7
148.03876	0.8
148.07593	4.9
150.64998	0.6
152.96906	6.6
157.97424	1.1
158.04781	0.9
158.05978	15.7
158.07985	1.2
159.06476	1.1
161.04681	0.7
168.44792	0.5
170.97932	0.8
175.98517	9.2
176.07033	100.0
176.11621	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	176.128
Annotation	L-2-amino-8-hydroxyoctanoate
Peak:m/z	Relative Intensity
50.89717	0.9
55.05507	14.6
56.05028	1.8
56.96554	4.6
58.06598	12.4
59.04991	3.9
60.04519	1.6
60.05630	6.4
60.08141	4.1
61.05958	1.4
67.05486	1.2
68.05016	0.9
69.07049	1.1
70.06581	12.2
71.04974	5.4
71.06902	4.8
72.08143	26.9
73.06542	2.3
73.08463	6.7
74.06068	0.9
74.64377	0.8
76.07624	6.3
79.02165	1.7
82.06570	4.2
83.04957	4.8
84.08125	5.5
85.06527	7.8
86.00386	2.2
86.06052	10.7
87.04452	21.8
88.07591	1.5
90.09165	4.1
94.06555	1.6
95.08574	1.4
97.06540	1.3
98.06042	18.7
98.97591	7.2
98.98179	1.1
99.04447	1.7
99.08060	1.2
101.06003	23.1
102.05521	1.3
102.09175	10.4
104.07091	4.6
107.00022	1.9
108.49383	10.5
112.07584	4.9
112.11228	56.0
113.06027	1.5
114.05512	1.9
114.09156	6.6
116.00544	43.2
116.07082	14.2
116.50716	1.2
116.97191	12.8
116.98577	5.0
117.05481	1.6
117.07426	2.3
117.49902	5.7
118.08638	1.6
119.09018	1.2
125.01060	10.3
130.05037	1.3
130.06499	1.9
130.08604	2.3
130.09673	1.5
130.12267	72.7
131.99527	2.1
132.10236	1.2
134.08110	5.3
134.95767	1.0
134.97890	1.5
134.99620	5.6
137.25255	1.0
140.07037	7.2
140.10693	47.2
141.05478	1.3
144.13806	17.0
146.20110	1.0
152.96883	5.4
152.98970	1.5
158.08112	15.9
158.11737	21.6
158.12901	2.0
159.06448	1.5
159.09616	1.2
170.99866	1.0
175.98433	7.8
176.07027	2.3
176.09248	8.2
176.12794	100.0
176.16391	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.18959	0.5
56.96546	2.5
57.06840	0.6
57.07070	10.1
66.88033	0.6
70.35278	0.6
85.06532	0.7
89.03895	11.6
89.93794	0.7
96.35136	0.7
98.97568	27.1
99.97905	1.5
116.98594	23.7
117.03351	47.1
117.98925	1.5
121.06485	1.3
131.01886	1.3
134.03632	3.9
134.99625	13.8
135.04404	3.4
135.99965	1.1
136.02150	0.7
145.02817	100.0
149.05943	18.4
149.75818	0.8
153.00763	0.9
159.10152	0.7
162.03099	0.9
163.03853	2.6
177.03178	1.0
177.05418	31.3
177.08945	0.9
186.05499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.07278	0.6
53.80719	0.5
54.44477	0.6
64.34001	0.6
77.93479	0.6
83.50932	0.7
89.03898	8.5
106.04140	1.2
110.24346	0.8
116.56412	0.7
117.03359	41.0
121.06517	0.8
134.03619	3.0
135.04387	2.6
138.65390	0.6
141.91086	0.7
145.02821	100.0
149.05951	19.5
162.80392	0.7
177.05432	30.3
177.06989	1.0
185.64996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
57.07065	2.2
63.02374	0.5
63.37678	0.3
74.10426	0.3
80.06573	0.4
85.06528	1.4
89.03896	9.3
91.05453	0.4
92.54909	0.4
106.04109	0.6
117.03354	41.5
134.03589	3.2
135.04375	2.5
145.02820	100.0
149.05952	20.3
163.03865	1.7
177.05424	36.3
186.05476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05563	0.3
56.71109	0.3
57.03436	6.9
57.07071	100.0
59.33758	0.3
61.02909	0.5
67.16081	0.3
75.04481	0.5
85.06529	65.8
86.40375	0.3
89.03911	3.7
93.07076	0.5
103.07561	10.1
103.08205	0.5
117.03358	11.9
120.61935	0.4
121.06486	0.5
127.00273	0.3
132.52852	0.4
134.03641	0.5
135.04396	1.3
137.48312	0.4
145.02818	29.8
149.05934	7.0
159.10143	13.7
159.11501	0.7
162.03085	0.7
177.05409	12.7
177.09038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
55.01854	1.9
55.05505	1.2
57.65161	0.8
65.57618	0.8
67.05216	0.7
67.05503	12.7
69.07043	4.3
79.05490	15.5
79.49126	0.8
81.03398	3.8
81.07056	23.3
83.04960	1.4
83.08614	1.8
89.03905	9.0
91.05473	17.8
93.07030	31.7
95.04969	6.4
95.08582	6.2
97.06526	6.2
99.08057	1.5
103.05437	1.1
105.07026	13.3
106.04196	1.6
107.04951	1.9
107.08582	12.8
109.06522	2.9
112.95270	1.1
117.03367	25.0
117.07011	16.1
119.08520	3.5
121.06479	5.8
121.10130	10.5
130.38399	0.8
131.08557	18.6
133.09157	1.4
133.10118	27.9
134.03598	1.5
135.04416	2.1
135.08035	6.0
135.11671	10.3
145.02829	57.3
149.02362	1.4
149.05962	18.0
149.09615	3.8
149.13251	14.5
159.11668	47.1
163.03914	1.2
165.18939	0.8
177.05440	40.1
177.06902	1.9
177.09128	6.9
177.12717	100.0
177.16139	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	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
54.03474	0.5
55.05503	0.7
55.32148	0.5
82.05303	0.8
83.04936	0.8
83.05627	1.2
90.13241	0.5
91.05459	4.7
93.07038	0.9
95.05007	0.8
95.06107	2.1
95.08559	0.8
97.07606	0.7
99.09190	0.5
105.07001	4.5
107.08572	2.5
109.07629	1.2
117.06965	1.2
119.08560	32.8
121.10134	3.4
122.07189	2.2
126.53184	0.5
131.08521	2.2
133.10106	9.4
134.07129	1.0
134.10889	3.3
135.06602	0.9
135.08054	11.8
136.02127	0.8
136.05078	1.1
136.08636	3.6
137.09598	35.7
144.09322	2.4
147.09148	4.1
149.09613	5.0
149.13225	12.6
150.10397	0.6
159.11694	2.5
161.09584	12.7
162.10371	0.7
177.05399	1.1
177.07674	1.2
177.11256	7.6
177.12706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.69815	0.1
55.01867	0.1
57.65212	0.1
57.65506	0.1
63.29390	0.1
68.99776	0.2
73.02914	0.2
73.06551	0.3
81.03403	0.6
89.06014	0.1
95.04992	0.1
105.03418	1.0
105.07008	0.1
107.01312	1.0
109.02861	0.5
119.08530	0.1
119.38473	0.1
123.04401	0.5
133.02834	0.9
135.20593	0.2
137.05956	0.2
147.04410	0.2
151.03900	2.5
155.65182	0.1
161.02321	6.6
161.05984	0.2
179.03377	100.0
186.29698	0.1
199.35234	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	179.0335
Annotation	5,7-Dihydroxychromone
Peak:m/z	Relative Intensity
50.45992	0.1
55.01864	1.0
60.37227	0.1
67.01823	0.1
68.99761	0.6
73.70279	0.1
79.05490	0.1
81.03423	0.1
81.07029	0.2
91.01840	0.2
91.05457	0.8
92.17471	0.1
93.07035	0.2
95.04939	0.5
95.08585	0.1
105.03387	0.2
105.07025	0.9
107.08567	0.2
109.10115	0.2
111.04402	0.5
119.04919	2.1
119.08570	0.2
120.05234	0.2
121.10056	0.2
123.04392	0.2
128.94917	0.1
133.02744	0.1
133.06464	0.8
133.10136	1.2
134.83095	0.1
137.02356	0.1
137.05963	0.5
137.08186	0.1
137.09592	0.2
146.03702	0.1
147.04388	3.6
151.03937	0.2
151.07492	0.2
151.11140	0.2
155.03339	0.3
161.05933	1.0
161.09575	0.6
161.13289	0.2
179.03351	100.0
179.10625	1.4
179.12558	0.8
196.91249	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	179.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58648	0.1
55.01864	0.1
58.99878	0.1
60.00623	0.1
61.01148	0.1
65.57635	0.1
73.02911	0.1
82.99770	0.7
85.42285	0.1
90.30588	0.1
91.05435	0.1
95.08582	0.1
99.52721	0.1
100.02457	0.3
101.00848	12.4
101.96178	0.1
115.01138	0.3
115.02393	0.5
119.01884	100.0
120.02137	0.1
121.02346	0.3
121.95759	0.2
133.01555	0.1
133.03430	2.3
133.04393	0.2
133.06462	0.1
137.02921	37.3
139.03357	0.2
142.03462	1.6
143.01836	0.9
143.03629	0.6
147.04340	0.8
151.04482	0.4
155.02155	0.1
156.04997	1.8
160.04556	0.4
161.02902	30.1
161.04373	1.8
163.99805	0.2
174.06099	0.2
179.02292	2.8
179.03944	46.2
181.04341	0.2
182.00978	0.1
184.04477	0.6
197.03238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0701
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
55.01875	31.4
68.27686	0.4
91.04914	0.9
91.05470	14.4
91.30643	0.6
95.04954	2.9
103.05438	1.3
105.07030	15.1
107.04937	0.9
108.05693	0.7
110.87580	0.6
115.05447	2.6
118.04156	2.3
118.65993	0.6
119.04926	40.6
123.04388	2.9
131.04909	0.6
133.06479	20.1
135.04384	0.8
136.05225	4.5
137.05988	1.3
139.32249	0.5
143.05986	0.7
146.03625	7.1
147.04395	100.0
151.07567	0.7
159.96805	0.6
161.05951	54.5
164.04660	2.2
179.07013	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	179.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55477	0.1
62.23409	0.1
63.70918	0.1
68.33105	0.1
74.31961	0.1
79.05473	0.2
81.07043	0.7
91.05469	0.8
94.04151	0.2
104.89378	0.1
105.07002	0.1
107.04939	0.8
109.06508	0.7
113.04911	0.1
119.04930	1.2
120.05695	0.1
121.02838	0.8
122.03630	0.3
133.06470	0.2
137.05960	100.0
147.04387	5.7
155.92551	0.1
179.03326	0.2
179.07030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.45177	0.3
51.50333	0.3
55.01877	4.6
57.40467	0.3
58.06586	2.1
64.52840	0.3
65.03945	0.4
66.59206	0.4
79.05466	0.5
81.07047	0.7
86.49501	0.4
91.05483	6.8
92.05795	0.4
93.06973	0.4
95.04954	1.3
95.08604	1.5
105.03387	0.4
105.07044	2.4
107.08597	0.6
109.10110	0.4
119.04937	26.2
119.08543	0.6
120.05267	3.6
121.10101	0.7
123.04427	1.2
123.08077	0.5
133.06470	3.3
133.10104	1.4
137.05991	3.0
146.03639	0.5
147.04404	100.0
151.03964	0.5
151.07504	1.4
161.05991	5.8
161.09528	0.3
161.13202	0.6
178.46408	0.3
179.03378	1.5
179.07135	10.5
179.08592	1.1
179.10701	1.7
179.12592	6.2
179.14174	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	179.1427
Annotation	Dictamnol
Peak:m/z	Relative Intensity
50.95632	0.5
54.80961	0.7
55.01856	3.2
55.05512	0.6
57.03422	3.6
57.24872	0.6
58.06586	2.9
67.05480	3.0
69.07039	1.4
73.02895	1.7
79.05479	5.3
81.07031	4.6
85.06525	3.4
89.73676	0.8
91.05457	5.5
93.07020	2.8
95.04972	0.7
95.06058	3.2
95.08563	8.0
97.06524	0.8
105.07000	10.6
107.08572	100.0
109.06514	1.5
109.10143	3.4
119.04944	6.6
119.08544	20.5
120.05243	8.3
121.10094	10.8
123.08033	27.4
127.07480	0.7
128.83565	0.7
133.06465	1.1
133.10123	6.3
135.11687	4.4
137.05989	1.5
137.08208	7.1
137.09578	3.6
137.13168	0.9
147.04375	8.5
157.72206	0.7
160.20988	0.7
161.05927	4.0
161.09584	1.0
161.13211	66.1
179.03387	0.9
179.07150	5.5
179.09212	1.1
179.10764	1.4
179.12611	13.7
179.14272	52.0
182.14571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01857	10.0
55.05505	22.5
57.03451	2.1
58.06588	7.8
62.34222	1.8
67.05497	68.9
69.07054	15.9
71.04968	2.2
79.05486	48.5
81.03401	8.5
81.07045	86.5
83.04971	25.9
83.08600	15.8
84.48473	1.8
85.58743	2.0
91.05460	37.1
92.64512	2.0
93.07031	29.2
95.04940	2.9
95.06071	11.4
95.08589	72.6
97.06517	33.9
97.10163	3.5
100.02797	1.9
104.89695	2.0
105.07023	24.6
106.07532	2.1
107.08577	8.7
109.06509	7.8
109.10149	11.7
111.08038	12.2
113.09627	10.5
119.04913	13.6
119.08549	36.3
120.05297	15.1
121.10101	7.3
133.10121	26.0
135.11676	10.2
137.08180	23.9
138.06505	2.4
138.10321	2.7
147.04417	8.0
158.70345	1.9
161.05927	2.3
161.13222	29.3
173.09145	2.0
179.09244	8.2
179.12619	39.3
179.14287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0606
Annotation	Makaluvic acid C
Peak:m/z	Relative Intensity
55.05506	0.2
56.96566	1.9
57.03838	0.1
57.93531	0.1
62.92981	1.6
65.03928	0.3
67.05485	0.3
79.05482	0.9
80.47990	0.1
80.93996	0.2
81.03386	0.2
85.02872	0.2
91.05464	0.3
92.04949	0.2
93.07026	1.0
95.04945	0.6
97.06494	0.2
98.97569	24.3
103.95584	0.8
107.08586	0.5
111.04425	0.2
116.97194	0.8
116.98599	21.6
121.02789	0.3
121.06468	1.0
121.10105	0.7
121.96619	15.0
122.06814	1.0
123.04429	0.2
123.08062	0.3
134.99640	12.5
135.04411	0.8
135.08000	0.9
135.11685	0.3
137.06015	0.3
138.05502	0.9
139.49048	0.1
139.98851	0.1
140.00162	1.0
144.98199	0.2
145.03995	0.3
145.10092	0.2
151.07469	0.2
153.00671	1.4
153.05521	0.2
158.01265	1.2
158.29208	0.1
163.01791	2.9
163.03836	0.6
163.04996	3.9
163.07469	0.3
163.11150	0.6
164.03421	0.2
176.02171	0.2
181.02782	3.2
181.06058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.43449	0.3
50.56507	0.3
55.05500	0.5
56.96521	0.6
57.07060	0.3
59.04981	0.9
63.04211	0.4
69.03409	0.7
69.07053	0.8
79.05503	1.2
80.02729	0.3
81.07068	2.6
83.08590	0.4
91.05457	0.5
93.07015	3.2
94.75242	0.4
95.08585	7.9
98.97559	6.6
107.08573	11.9
109.10128	1.4
111.08057	0.5
116.97218	2.6
116.98569	3.4
119.08540	1.7
121.06478	1.6
121.10115	9.1
123.08018	2.1
125.05940	1.6
134.58324	0.4
134.99646	0.7
135.11667	24.7
137.13216	0.8
139.07515	5.2
139.98778	0.6
145.10085	5.7
149.07408	0.3
153.12685	1.4
161.62788	0.4
163.09753	0.6
163.11142	20.9
181.12195	100.0
188.64774	0.4
203.95891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1586
Annotation	(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
53.97239	0.4
55.05510	12.2
56.96544	1.2
57.03397	0.7
57.07074	1.2
57.93559	9.6
58.71449	0.5
59.04990	1.0
67.05502	14.6
69.03407	3.7
69.07060	14.0
71.04971	2.4
71.08627	1.2
73.06557	0.7
75.94572	0.6
79.05482	7.2
81.07052	55.8
83.04955	0.8
83.06082	0.7
83.08613	21.7
84.28799	0.6
85.06525	3.8
91.05481	0.9
93.07029	12.4
95.04984	0.7
95.08593	24.0
97.06514	3.7
97.10159	7.3
98.07146	1.0
98.96155	4.1
98.97572	19.4
99.05550	1.2
99.08086	4.5
99.69003	0.6
105.06995	0.6
107.08583	17.9
109.10159	4.7
111.08029	3.4
111.09178	0.9
116.97211	100.0
116.98500	18.9
121.06442	0.7
121.09327	1.1
121.10132	20.7
122.07067	1.2
123.09128	0.8
123.11693	2.3
125.05994	0.7
125.09596	1.3
130.21616	0.6
134.99643	11.7
135.08018	0.7
135.11679	4.8
139.08661	1.0
139.09714	0.9
139.98781	26.8
139.99963	1.1
140.06837	1.0
140.08176	1.0
141.13239	0.6
145.10100	0.8
148.96133	2.7
153.00673	1.2
158.01189	2.4
163.11151	1.2
163.13446	1.3
163.14786	32.1
171.97748	0.9
181.10771	3.1
181.12216	18.0
181.14577	2.1
181.15843	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0808
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.06363	2.2
54.03422	2.0
65.88100	1.9
67.05474	11.6
69.07035	2.8
72.69926	2.5
79.05479	10.8
81.07039	22.3
88.29235	2.4
91.05431	4.4
93.06116	2.5
97.06501	4.7
98.09679	2.9
98.97581	4.2
107.30811	2.7
108.08096	42.6
109.06470	3.0
116.98569	5.8
122.06023	2.5
123.04366	3.5
124.03873	2.6
125.05938	31.3
126.05475	28.1
126.09112	21.4
136.00020	3.1
136.07544	96.8
136.08569	3.9
137.05928	3.2
141.01758	2.8
154.08591	26.0
154.09673	3.8
158.97630	16.3
161.72256	2.3
164.07002	81.1
165.05406	3.1
181.99277	4.0
182.00900	4.3
182.05623	3.5
182.08064	100.0
182.09367	4.2
182.11668	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	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
52.48243	0.2
54.24669	0.2
63.00677	0.2
68.52361	0.2
78.95278	1.6
79.02194	0.4
91.04913	0.5
91.05474	10.6
93.07021	0.4
95.04961	5.5
98.97572	0.4
103.05463	0.5
107.04961	0.4
109.06587	0.3
109.41101	0.3
116.35961	0.3
117.98897	0.3
118.06573	0.4
119.04932	25.9
119.97880	2.7
121.06475	2.8
122.94193	1.4
123.04420	74.5
136.07573	100.0
137.05960	0.6
140.95247	1.1
147.04407	17.1
154.04945	0.5
158.96277	1.9
163.96857	1.4
165.05457	40.7
181.97882	1.8
182.08076	4.8
182.11784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
58.02962	15.1
67.05480	10.7
69.07064	41.7
81.07065	12.5
83.08623	2.7
84.08136	3.1
93.07018	5.3
95.08600	2.0
98.09650	1.4
98.97569	6.2
99.97927	1.9
100.07590	6.3
101.95132	1.2
105.07023	6.4
107.08581	9.5
109.10150	33.7
114.09153	16.1
116.98600	3.3
123.11697	6.1
126.09142	16.5
133.10123	32.2
134.99625	2.3
135.11691	13.9
138.12781	6.2
147.11697	2.1
151.11153	13.4
153.12698	15.9
165.12762	1.8
182.00891	9.5
182.06790	4.9
182.15388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61159	0.1
61.55628	0.1
71.04414	0.1
71.99527	0.1
72.28936	0.1
74.74637	0.1
78.95274	0.2
80.75443	0.1
82.01474	0.2
82.99806	1.2
90.41088	0.2
100.02465	0.8
101.00864	16.2
113.53963	0.2
118.03499	1.5
119.01897	38.1
124.02419	12.4
136.04561	0.7
137.02939	6.6
142.03476	100.0
160.04520	35.6
161.29675	0.2
164.97244	0.2
165.05058	0.4
178.05559	3.9
183.06195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	2,6-Dimethoxy-benzoic acid
Peak:m/z	Relative Intensity
55.01854	0.5
55.05492	0.4
57.03431	0.8
59.93108	1.0
65.62613	0.4
67.05496	2.7
68.27200	0.4
68.99786	3.5
69.03416	1.8
71.04973	0.8
79.05473	2.5
81.03403	3.7
81.07047	5.3
83.08520	0.5
91.05460	3.4
93.07018	1.0
95.04950	11.6
95.08588	2.6
97.06493	2.4
98.98450	85.5
99.04418	3.0
99.19387	0.4
105.03382	1.1
105.04491	0.7
106.98841	0.4
107.04913	0.7
109.06503	7.0
109.10108	1.1
116.99480	0.8
118.96738	14.4
119.04912	5.5
119.08543	0.9
123.04404	9.3
123.08024	2.8
123.11689	0.9
125.05959	3.0
127.00596	0.6
127.01543	23.7
137.05962	49.6
137.09583	2.4
140.04688	1.9
141.05441	7.7
141.98338	3.5
142.03470	0.8
142.12262	0.4
147.04401	1.1
147.08035	0.8
150.03076	0.9
155.04668	6.7
155.06992	2.5
155.08511	0.5
165.05437	100.0
165.09096	2.5
183.06491	85.1
183.09978	2.1
183.11623	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	183.0651
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
53.03950	3.6
55.01880	0.8
60.37712	0.4
65.03935	0.7
65.23447	0.4
67.05486	2.5
69.03409	0.6
70.73013	0.4
71.04992	0.5
77.03927	1.7
81.03385	0.5
83.71568	0.4
84.20254	0.5
92.28204	0.5
93.07017	0.8
95.04958	85.8
95.08623	0.6
97.06509	0.5
98.98436	0.8
99.04465	0.5
105.04501	4.9
109.06499	0.6
109.10104	0.5
118.96704	1.0
123.04413	100.0
125.02316	1.0
137.09604	0.7
140.04671	27.4
142.03487	1.6
154.92818	0.4
155.07011	28.0
165.05359	0.7
165.09161	0.6
183.06531	9.6
183.09111	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	183.065
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
54.58764	0.6
54.68031	0.6
55.01862	1.2
55.05491	1.4
57.03434	0.9
67.05484	4.3
68.99779	3.3
69.03407	4.8
71.04966	3.6
73.02886	0.7
79.05460	3.2
81.03396	4.2
81.07037	5.3
83.04974	1.0
85.02869	1.1
85.06525	0.8
91.05457	3.4
92.02910	0.8
93.07014	5.2
95.04356	1.5
95.04949	32.5
95.08596	6.8
97.06488	5.1
98.98451	1.7
99.04430	11.1
100.16698	0.8
105.04530	2.6
105.06966	0.9
107.08573	1.4
109.06500	6.6
109.10121	3.1
111.04401	3.0
113.05969	1.7
118.96751	7.3
119.01828	0.8
119.04905	2.8
119.08565	6.9
121.10139	1.2
123.04407	35.5
123.05318	1.4
123.08045	8.6
123.11657	1.0
125.05963	6.3
125.09657	1.0
133.02840	4.9
137.05959	30.8
137.09584	6.9
140.04671	7.3
141.05440	51.3
141.98325	1.1
142.03452	2.9
147.08038	1.8
155.07002	9.8
160.04532	1.0
165.05434	82.3
165.09082	6.3
165.12737	1.2
183.06491	100.0
183.10071	6.5
183.11681	3.1
183.13753	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	183.0776
Annotation	Triethyl phosphate
Peak:m/z	Relative Intensity
53.40342	0.2
53.53093	0.2
56.18526	0.2
57.90626	0.2
59.18063	0.2
60.04357	0.2
61.64071	0.2
63.35926	0.2
72.71644	0.2
98.98443	100.0
102.66683	0.2
104.73727	0.2
116.99517	1.5
127.01532	29.1
140.00999	0.2
155.04637	8.7
163.10056	0.2
183.07819	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	183.1014
Annotation	(-)-5-oxo-1,2-campholide
Peak:m/z	Relative Intensity
53.32042	0.7
55.01871	1.3
55.05494	6.0
57.24820	1.0
59.04989	1.3
64.79746	0.8
64.92806	4.3
66.78671	0.8
67.05498	6.9
69.03419	6.3
69.07060	2.3
71.04989	20.8
73.06563	0.9
79.05487	3.6
81.03413	1.7
81.06612	1.2
81.07053	19.1
83.04999	6.6
83.05396	1.0
85.02869	6.9
85.06534	5.1
91.05455	4.5
93.07028	37.0
93.07584	1.8
95.04952	19.5
95.08591	37.5
97.06516	58.2
97.07143	2.0
98.98500	1.4
99.04443	82.5
101.06004	7.6
101.71661	1.0
105.03371	2.2
105.07005	8.1
105.95388	1.5
107.08575	1.2
109.02886	1.0
109.06501	8.1
109.10113	14.1
109.10630	0.8
110.08163	0.9
111.04387	1.0
111.08076	1.6
113.05989	5.1
118.96728	3.7
118.98177	1.1
119.01896	1.9
119.08559	19.2
121.06480	1.1
121.10112	1.3
123.04420	14.5
123.08050	56.3
123.95563	2.0
123.96432	43.5
125.05969	100.0
127.07527	16.6
129.06999	1.1
133.02834	8.2
137.05954	5.5
137.09604	55.1
140.04677	1.6
141.09084	12.6
142.03497	6.7
147.08020	20.9
155.07016	3.8
155.10651	22.4
160.04498	1.9
165.05418	3.8
165.09082	62.6
173.88330	1.0
183.06487	3.5
183.10141	43.2
183.11784	1.6
183.13809	3.6
188.00540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1376
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
51.87224	0.5
53.03936	0.7
55.05501	2.7
55.64525	0.5
57.03438	1.9
57.07066	9.5
58.02974	0.5
59.06097	0.6
62.70733	0.5
65.05332	0.5
67.05491	4.9
69.03403	4.4
69.07058	7.8
71.04983	2.2
71.08613	0.8
77.03926	0.7
79.05498	1.1
81.07034	18.3
83.04964	1.0
83.08616	1.2
85.06517	6.7
87.08058	0.6
93.07028	3.3
95.04941	14.7
95.07976	0.9
95.08585	27.2
97.06508	0.8
97.10127	0.7
98.98443	10.1
99.04443	1.2
99.08058	0.7
105.03374	100.0
105.06983	1.0
107.08587	3.0
109.06487	7.3
109.10135	11.7
110.07245	0.6
111.08044	0.9
113.05977	6.5
118.20768	0.6
118.96734	9.3
119.08553	3.3
121.10150	0.9
123.04404	10.9
123.08035	11.9
123.11668	4.0
124.08652	1.2
125.05972	2.4
127.01532	2.7
127.07541	2.4
127.11099	0.9
133.02800	1.1
137.09618	3.1
137.13226	28.8
140.04688	1.4
141.98299	2.3
142.03502	0.7
147.07991	0.8
147.11665	2.1
149.29958	0.5
155.07002	2.7
165.09053	1.0
165.12697	14.6
167.23474	0.6
168.09291	0.7
183.01241	0.7
183.06419	1.3
183.07982	17.5
183.09917	0.8
183.10187	0.8
183.11652	3.2
183.13777	21.9
183.15468	1.1
183.17421	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	183.1377
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
55.01869	3.4
55.05515	19.5
56.05030	3.4
57.03426	3.8
57.07069	17.2
58.06572	2.6
59.06109	11.9
67.05482	12.2
67.76331	1.9
68.99772	12.3
69.03415	3.8
69.07047	10.9
70.06568	2.9
71.01345	62.7
71.04989	3.8
72.08152	3.0
81.07059	18.8
82.06585	2.2
83.04959	4.2
83.06103	3.7
83.08600	2.6
86.08439	4.4
93.06985	4.8
94.35803	2.2
95.04942	11.0
95.06085	2.6
95.08611	16.6
97.06528	4.3
97.07653	10.2
98.98435	13.0
99.04441	20.5
99.05560	4.8
100.07605	2.8
105.03374	4.8
105.07034	2.8
109.07626	5.7
110.07101	2.5
111.09195	2.3
112.08696	13.4
113.05985	25.8
118.72172	2.3
118.96735	45.8
119.08542	3.2
121.10127	5.4
123.04422	15.0
123.08103	4.1
123.11704	4.0
124.05065	5.3
124.08688	16.7
125.06048	3.4
125.07091	13.0
127.07540	10.7
138.06673	2.8
138.10239	3.7
140.04721	5.2
140.08163	5.0
141.06615	3.6
141.07672	5.7
141.98305	17.4
142.05049	3.7
147.11697	4.2
155.07013	3.4
160.04593	2.7
166.09720	13.0
183.06575	3.9
183.08853	4.2
183.12328	18.1
183.13754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90199	0.3
65.92612	0.4
80.94944	3.4
101.00869	19.5
101.01516	0.7
102.00955	0.8
119.01904	100.0
120.01976	7.3
120.20632	0.3
121.97540	4.1
124.02406	3.8
124.93912	1.8
125.02609	1.7
135.29155	0.4
137.02946	24.1
138.03058	1.7
142.03485	29.2
142.94922	1.9
143.03610	22.0
148.12921	0.3
160.04539	6.1
160.95929	1.4
161.02936	11.8
161.04640	8.3
165.96494	3.9
166.05170	0.4
179.03993	14.3
179.05606	1.3
183.97643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0604
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
64.92831	0.3
65.03954	0.2
80.94985	0.9
86.09710	1.1
104.10729	1.4
119.01916	1.2
121.97556	1.3
123.96388	0.3
124.04793	0.3
124.93880	0.4
124.96767	0.2
125.00020	0.2
125.02381	0.2
138.05476	2.2
142.94937	0.4
143.03423	0.4
148.03917	40.7
158.57706	0.2
160.95036	3.0
162.84692	0.2
164.66484	0.2
165.96548	1.1
166.04968	100.0
183.97684	0.8
184.06026	18.6
184.07373	1.1
184.09691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39154	1.1
60.08162	12.5
61.31534	0.9
65.07466	0.8
65.28015	1.1
71.07368	1.8
78.52312	0.9
81.28149	0.9
84.48961	1.1
86.09698	63.8
86.46994	1.1
88.66570	1.1
98.98416	1.7
108.01834	1.1
124.99994	46.1
128.14331	4.3
142.15822	1.5
161.85155	1.1
179.55991	1.2
183.72054	1.1
184.07324	100.0
184.20573	4.8
190.89096	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	184.073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97956	1.4
60.04490	1.5
60.08147	11.5
60.95847	39.2
71.07350	1.8
86.09689	61.9
92.16802	2.8
92.17319	1.9
98.98427	3.3
101.95014	8.5
101.97204	2.7
101.98447	9.3
102.09151	2.5
104.10700	2.5
119.02001	2.3
119.02949	1.9
119.26982	1.7
119.98158	3.0
124.99982	48.6
143.03477	8.2
161.04059	2.4
161.04822	2.9
180.14832	1.9
181.93062	1.8
184.07321	100.0
184.09946	10.4
184.17006	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	184.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	12.5
64.60536	0.9
76.00591	0.9
86.09698	66.6
88.14397	1.0
92.17493	1.1
98.98410	1.3
104.10718	2.2
124.99986	49.1
127.55473	1.0
128.14320	2.1
184.07317	100.0
184.09909	3.8
184.20615	2.4
199.00217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	4.4
56.05003	3.0
59.06118	13.1
60.08150	7.3
65.87434	2.8
69.03420	2.6
75.22240	2.4
83.06099	5.8
84.22630	2.7
86.09685	72.3
98.07135	6.7
102.09149	6.2
102.20373	2.9
124.08662	13.9
124.99973	46.9
125.07089	5.2
143.03374	16.0
143.04468	4.9
180.92667	3.6
184.05844	5.5
184.07336	100.0
184.09796	58.6
184.16872	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0965
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
55.01860	3.0
57.07080	1.9
60.08154	2.2
64.01622	1.5
65.73315	1.5
67.05486	4.4
69.07069	4.2
70.03746	1.9
80.94956	2.7
81.07020	3.0
85.02888	2.3
85.06505	2.9
86.06835	1.8
86.09684	13.1
93.08841	1.9
95.04943	22.3
96.05286	2.0
96.08121	2.3
98.43271	1.7
99.98370	1.8
104.10695	14.4
113.05976	7.1
119.01894	16.3
120.02021	2.1
120.08068	16.5
121.97543	7.5
124.03960	3.4
124.07570	98.8
124.08480	3.3
124.99941	3.7
131.07031	2.7
137.02922	2.4
138.05467	2.9
138.09138	4.2
142.03513	3.2
142.04997	2.6
142.08664	12.6
143.03438	11.1
160.96033	1.7
165.96552	2.8
166.04984	7.8
166.08601	22.1
183.97610	3.7
184.06017	7.3
184.07397	18.7
184.09709	100.0
184.13271	3.7
184.16902	2.7
197.65331	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	185.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02455	6.9
64.25876	9.3
65.33619	7.6
97.79522	8.6
100.37015	8.6
100.74668	10.3
120.01982	39.9
121.01662	16.1
144.03174	100.0
144.05031	20.8
162.04321	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	186.043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41046	0.3
58.05220	0.3
58.45053	0.3
67.92498	2.5
76.43938	0.4
82.94845	10.7
84.99583	0.6
90.71411	0.4
100.01389	0.4
101.00902	0.7
102.00979	1.6
103.00639	28.2
103.01283	2.1
110.40842	0.4
119.01911	3.4
120.01981	4.2
121.01664	100.0
121.02337	3.8
122.02048	0.7
123.97452	14.9
126.02160	3.4
126.93772	6.6
130.15921	0.6
137.02939	0.5
139.02696	18.7
142.03458	0.7
143.03662	0.6
144.03229	27.9
144.94809	7.7
145.03606	3.0
162.04243	4.4
162.95869	5.9
163.01666	0.6
163.02701	9.1
163.04720	0.7
167.96417	13.0
178.67004	0.4
181.03763	9.9
185.97487	6.7
186.22186	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	186.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06114	1.3
60.04496	0.6
62.92980	4.3
63.71151	0.6
64.77739	0.6
65.22043	0.6
70.06583	0.8
72.08141	3.5
78.64586	0.6
82.06550	0.7
85.04015	0.6
85.54208	0.7
90.21718	0.6
97.07700	0.6
98.06023	2.3
103.39912	0.6
103.95557	1.2
109.07648	1.2
111.09155	0.9
121.00732	0.8
121.96634	22.8
126.05503	2.4
139.01797	3.6
144.06560	0.8
144.98224	4.7
145.02618	17.0
162.99165	0.9
163.01790	13.4
163.03616	2.7
169.09668	1.5
173.01814	0.8
173.03189	8.9
181.02863	16.3
186.05237	100.0
186.12442	1.4
186.18542	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	186.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.8
63.02367	0.7
70.46902	0.3
74.09701	2.0
74.40341	0.4
75.61880	0.3
77.17740	0.4
84.04495	0.6
85.02885	0.6
86.06056	0.9
89.03909	8.2
97.00780	2.1
101.72051	0.3
114.05512	0.4
117.03357	39.3
119.02826	0.7
121.00768	7.3
123.11678	0.7
126.05480	1.7
129.02892	0.4
130.06502	2.5
130.15903	9.0
135.04367	2.5
139.01814	10.9
140.06970	0.4
144.06546	0.5
144.07619	0.4
145.02823	100.0
158.04874	0.5
158.05974	20.5
163.01787	59.4
168.06537	0.4
181.02840	56.3
186.03543	1.5
186.05473	26.7
186.07515	1.6
186.11122	0.4
186.14793	0.5
186.22133	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	186.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04512	2.1
67.18886	1.2
69.03440	1.3
74.69058	1.2
81.07067	3.6
84.04481	8.5
85.02873	9.5
89.03899	3.0
91.74680	1.2
94.67908	1.4
97.02872	1.7
98.06063	2.5
99.04413	2.2
111.14912	1.7
114.05508	7.3
117.03348	33.6
126.05489	19.0
127.03880	3.1
127.89935	1.5
130.06523	1.7
144.06584	1.9
144.07652	2.4
145.02814	100.0
153.75021	1.7
158.05959	20.9
163.01782	15.2
171.72284	1.5
181.02863	22.7
186.05479	26.4
186.07523	11.0
186.09058	2.6
186.12700	5.6
186.18529	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	187.0749
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.38263	1.6
55.05496	2.4
66.03130	1.6
69.03406	2.7
71.04948	1.9
79.05473	2.6
81.03398	2.9
81.07043	16.0
81.39825	1.9
83.08584	3.8
88.02175	8.3
91.05440	3.1
95.08573	7.3
105.06982	2.6
109.10124	2.0
123.08010	14.1
123.11702	2.5
127.03782	2.4
129.06897	3.8
131.04892	2.3
131.08534	11.7
141.09052	2.1
144.05678	4.3
145.10045	3.6
146.05980	3.3
151.07562	2.3
156.05708	6.5
159.08006	56.6
159.11478	2.6
163.97658	3.1
169.08543	1.9
172.05086	3.2
181.02763	4.3
182.03157	3.7
187.07474	100.0
187.11026	6.9
187.12698	1.9
187.14742	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	187.1073
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
51.57343	1.0
55.05488	4.2
56.05021	1.5
58.90022	0.8
60.04494	1.7
70.06574	15.6
72.04453	1.0
74.02423	18.4
82.06562	89.1
99.09187	10.4
100.07572	4.5
112.99976	1.9
114.09074	1.5
116.07060	42.6
123.09135	16.1
124.07572	18.4
125.13074	0.9
128.07040	44.0
134.18997	1.0
136.58319	1.0
141.10194	100.0
142.08588	9.7
145.09663	6.1
163.56134	1.2
170.08070	29.1
187.10713	68.3
187.22429	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	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55793	0.9
57.03438	0.9
57.07074	0.9
63.27961	0.8
68.95705	0.9
79.05473	1.2
79.79604	1.0
81.07049	2.1
88.02210	1.7
91.05450	1.0
95.08608	1.5
97.00736	1.0
105.07024	3.8
110.98787	0.8
111.11299	0.8
113.00011	26.5
117.07002	1.8
123.08041	2.0
129.07007	1.2
130.07701	0.9
131.08572	13.8
141.06989	1.4
143.08559	1.2
144.09271	1.5
145.06468	3.4
145.10115	21.7
146.01839	1.0
146.07187	1.3
154.07761	1.4
158.07260	8.2
159.08032	10.3
159.11665	18.1
164.02956	8.3
169.10089	2.1
171.60063	1.0
172.08821	15.3
187.11169	100.0
187.14732	14.4
187.22472	8.9
205.51671	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	188.034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.2
56.05039	4.5
57.03431	0.7
58.06616	0.4
60.04523	4.5
60.04776	0.4
60.97673	0.3
63.81903	0.3
67.05508	1.7
68.05039	0.3
69.03426	0.3
69.07063	0.5
70.06584	2.5
71.04994	0.6
71.07374	0.7
71.61510	0.3
72.04520	1.6
72.08160	1.4
73.02927	0.4
76.27595	0.3
79.05469	1.2
80.04992	0.3
81.03445	0.3
81.07064	2.9
82.02924	0.3
82.06576	5.1
83.04980	4.6
83.08601	0.6
84.04513	6.6
84.08147	2.8
85.02929	0.4
86.06068	1.4
87.00838	0.4
87.04462	0.5
88.04011	0.3
88.07603	0.3
94.49809	0.3
96.04519	0.4
96.08140	2.2
97.06525	1.2
98.06039	0.5
99.04443	0.5
100.03979	2.4
100.07619	6.4
101.06027	5.4
102.05552	0.7
104.05005	0.6
104.63714	0.3
105.14007	0.3
109.06527	1.3
110.06042	2.9
111.04433	0.4
112.07580	0.4
114.05551	2.1
116.07100	2.3
117.07427	0.7
117.27105	0.3
122.06056	0.4
124.07592	6.5
124.11234	4.1
125.05973	3.5
125.96929	0.4
126.09109	0.5
128.03455	3.4
128.07079	9.3
128.10696	0.6
129.05473	0.7
130.08623	0.6
132.04445	75.0
132.95808	0.6
134.97502	0.3
140.07037	1.8
142.04958	5.7
142.08629	14.2
142.12271	23.7
146.08116	16.4
150.96799	0.3
152.07074	4.1
152.10698	1.3
153.05453	5.3
158.08078	1.2
159.06773	0.4
160.03918	9.5
160.09691	5.2
170.04431	0.5
170.06529	0.5
170.08101	13.0
170.11737	4.3
171.06490	1.9
188.03459	100.0
188.09187	18.6
188.11014	0.7
188.12790	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	188.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79004	0.5
67.05470	1.0
71.04981	1.3
72.04465	0.8
81.07045	0.9
84.04486	1.3
84.08149	0.6
86.09645	0.6
87.10023	1.4
95.28490	0.6
100.07657	0.9
124.07578	0.9
124.81297	0.6
128.04234	0.8
128.07025	1.5
128.10690	0.7
129.11041	1.4
132.04434	72.1
140.10707	0.9
142.12155	0.6
145.08858	0.7
146.05905	0.8
146.13637	1.2
153.09000	0.8
160.03909	9.9
160.09586	1.1
160.57808	0.6
164.97682	1.0
170.08081	2.7
170.11714	5.7
173.08398	1.5
177.81461	0.8
188.03404	100.0
188.07013	2.8
188.09019	6.2
188.10710	4.5
188.12550	0.6
188.14418	0.7
190.83263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98801	0.5
57.07064	8.2
62.97321	0.5
77.95273	0.6
84.04476	1.6
86.05552	1.0
86.06046	19.2
87.04441	2.7
93.10017	0.6
96.08846	0.8
99.06834	0.6
100.07529	0.8
104.07077	3.3
109.38562	0.6
118.06448	0.8
120.94126	0.6
124.08346	2.8
128.07027	1.0
129.09084	1.4
129.23161	0.6
132.04419	64.2
142.12251	1.3
144.08052	0.9
146.05992	6.3
148.99533	0.7
160.03889	10.2
169.65958	0.7
170.07986	0.8
170.70154	0.7
173.08302	3.3
188.03380	100.0
188.07019	4.1
188.09111	2.3
188.10684	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	188.0701
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
91.05477	0.9
94.69317	0.5
98.09532	0.5
117.07003	2.4
118.06509	33.1
142.06534	2.8
143.07257	4.7
144.08047	23.6
146.05972	100.0
160.07544	1.2
170.05946	9.1
188.07005	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	188.0915
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.05497	6.9
56.05019	10.0
56.96553	6.6
57.03428	2.2
60.04518	19.4
61.01122	1.7
61.04035	1.6
63.99846	6.2
65.56129	1.3
67.05486	5.7
68.95266	5.9
70.06588	2.9
72.04500	3.5
73.02913	3.5
79.02179	100.0
82.02922	2.2
82.06564	14.9
83.04970	15.3
84.04488	12.8
85.02862	2.7
95.91599	1.4
96.08103	6.9
98.06028	1.6
98.97572	15.6
100.03951	12.5
100.07599	32.7
101.05995	24.0
102.05564	1.8
104.03494	1.5
104.60477	1.4
110.05981	2.8
110.97545	2.5
114.05502	8.8
116.07058	3.1
116.96410	6.3
116.98605	9.1
117.07397	2.6
118.45791	3.4
124.07586	9.2
125.96954	52.1
127.46317	6.6
128.03418	27.7
128.07051	38.1
128.98579	7.1
129.05461	3.2
132.84244	1.4
132.97556	1.4
134.97464	52.5
134.99660	6.4
138.52971	2.5
142.03305	1.7
142.04988	22.8
142.08614	53.1
142.10503	3.1
142.12238	12.6
143.00082	1.6
143.98033	9.1
144.10170	1.9
146.04478	1.8
146.08087	72.9
146.96532	2.0
146.99646	6.3
147.11002	1.4
148.45963	6.1
150.96915	2.3
152.06985	1.8
152.98949	2.1
154.90703	9.9
155.97115	10.3
157.46425	3.4
158.99611	3.4
164.97643	6.6
167.69954	1.5
170.04482	3.5
170.08076	16.7
170.11633	1.6
173.08389	2.8
176.98911	10.7
177.00586	2.5
188.03723	50.2
188.07193	2.8
188.09163	44.4
188.10844	8.8
188.12537	10.4
188.98943	1.8
191.98837	1.5
194.99910	10.5
206.99997	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	189.0656
Annotation	Caulibugulone A
Peak:m/z	Relative Intensity
55.01863	0.2
55.05491	0.4
63.87815	0.2
75.05580	1.0
81.07004	0.2
83.08572	0.3
84.04495	0.2
86.09689	36.5
97.10144	1.1
98.05354	0.2
101.05872	0.2
107.08560	0.3
107.51060	0.2
111.04417	0.2
117.88830	0.2
118.06497	0.4
125.09595	0.4
130.08638	0.4
132.10181	17.7
143.11768	10.7
143.12891	0.4
144.04430	0.9
145.05121	0.3
146.05983	3.5
147.96527	0.3
161.07050	3.2
172.03893	0.9
172.09558	0.3
189.06552	100.0
190.51964	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	189.1121
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
55.01865	2.0
55.05515	38.4
59.33178	0.9
63.09160	0.9
64.26167	0.9
67.05508	10.0
69.03421	6.9
69.07058	7.9
79.05510	9.0
81.07053	11.3
83.04962	2.4
83.08620	42.4
84.04513	1.2
91.05460	1.5
93.07027	5.6
95.08625	2.3
97.10168	100.0
101.09670	1.6
104.48962	1.0
105.07027	1.5
106.90493	6.1
107.08594	24.3
109.10092	1.2
111.08055	1.6
119.08567	1.9
125.09621	84.0
133.10139	2.4
135.08076	4.2
143.10677	1.9
145.10127	1.6
147.11623	1.4
147.93103	2.3
148.08604	1.7
153.09120	2.3
165.32233	1.0
171.10152	5.9
185.99495	1.3
189.11234	34.2
189.12759	2.9
189.16434	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64931	1.6
81.07027	3.0
83.08630	1.9
91.05443	3.4
95.08569	2.5
95.65510	1.5
97.06503	2.0
105.06993	7.9
106.90464	5.7
119.08558	100.0
119.09418	3.3
129.06943	1.8
131.57324	1.7
133.10083	3.9
139.85097	1.6
143.00220	1.6
143.08531	9.6
145.10107	8.1
147.08028	16.8
147.11696	9.7
147.93007	2.0
156.09305	25.0
161.09560	3.0
161.13220	3.9
162.26117	1.5
171.11639	39.6
189.09082	7.1
189.12711	91.7
189.16269	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11386	0.8
56.96542	4.8
58.75735	0.9
66.24308	0.8
69.03401	4.3
71.15942	0.9
73.06523	1.2
73.25900	0.9
80.64324	0.9
83.04948	1.2
88.95274	2.3
91.05443	4.4
105.07019	8.3
106.96524	5.4
107.08520	1.5
109.03550	1.0
111.51003	1.0
112.04613	1.6
112.54780	2.2
117.07040	1.9
119.08569	11.3
120.26937	0.8
121.55332	1.6
124.97588	6.6
128.06172	1.4
129.06926	1.4
130.07745	1.9
131.08553	1.8
131.84583	1.1
133.06459	4.1
133.10075	3.8
142.98596	5.0
143.08524	6.3
145.10109	22.7
147.08020	5.5
147.11664	15.5
147.96486	1.3
156.09314	36.6
159.08101	1.3
159.11653	16.1
161.09554	1.3
161.13171	1.1
165.97549	2.0
168.59155	6.7
171.11646	66.2
174.10342	5.9
189.03828	1.7
189.05365	2.2
189.09148	2.2
189.12697	100.0
193.21730	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
56.75950	1.8
56.96536	3.5
58.14526	1.8
61.91706	1.7
66.60271	1.8
67.05473	2.0
69.03420	3.0
69.47924	1.9
77.02001	1.7
79.25459	1.8
87.45873	1.8
88.32417	2.0
88.95293	2.7
91.05419	2.6
97.10148	2.5
105.06980	9.1
106.96578	15.6
117.06981	2.6
119.08529	12.4
120.04417	2.6
124.97576	23.7
125.03585	4.4
128.06242	2.7
129.06883	2.5
131.08533	4.7
131.55171	4.9
133.06429	3.8
133.10092	4.1
134.04105	2.5
136.54349	4.3
141.06876	2.1
142.98596	15.2
143.00146	4.0
143.03069	2.5
143.08563	3.3
145.10107	19.2
145.54890	11.1
147.08009	3.4
147.11649	15.3
148.07393	2.1
156.09331	37.9
159.07935	2.6
159.11629	18.2
160.99797	2.8
161.01172	12.6
161.09529	2.8
161.13252	3.2
166.03394	4.7
171.11632	68.7
174.10353	10.9
184.02792	18.3
189.05368	3.8
189.08942	4.2
189.12691	100.0
202.03780	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	189.1343
Annotation	L-NMMA
Peak:m/z	Relative Intensity
51.00747	0.5
55.05494	1.6
57.04564	5.7
57.04780	0.6
58.06586	1.5
60.05628	0.5
60.08158	38.8
60.61954	0.5
70.06580	77.2
71.04975	1.1
72.08143	40.2
72.08547	1.3
74.07190	44.7
76.12962	0.6
84.04482	3.2
84.08129	100.0
85.02880	6.8
86.06065	2.7
95.40147	0.6
99.58401	0.6
100.07596	2.8
102.05524	3.5
106.00800	0.6
111.77712	0.6
112.03866	0.6
112.07574	8.4
112.08725	2.8
113.07123	0.9
115.08656	7.9
116.07067	55.8
118.08636	0.8
126.05520	0.8
126.09148	19.5
126.10136	1.9
129.10228	4.4
130.04974	14.5
130.08615	60.5
133.09709	4.4
143.11746	1.3
144.11298	23.3
144.13811	2.9
154.08545	0.8
158.09239	6.1
171.12376	1.1
172.09523	1.2
172.10844	9.9
176.35413	0.7
189.13449	58.8
189.15967	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	189.1596
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
55.74443	0.2
56.05019	0.5
59.84061	0.3
60.08160	35.1
67.05487	0.6
69.60269	0.2
70.06585	3.1
72.08124	0.3
74.07192	2.5
84.08134	100.0
85.06519	0.3
86.09679	0.5
92.36961	0.3
102.09184	0.3
108.08808	0.3
116.07068	2.6
130.08624	74.0
144.11351	0.5
144.13811	4.0
158.09152	0.3
189.13515	3.3
189.15950	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0497
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
60.30526	0.4
62.68870	0.4
64.87450	0.3
68.96444	0.4
73.02950	0.4
81.22034	0.4
83.60488	0.4
85.06516	0.5
89.03869	0.4
106.05018	0.6
106.90491	3.8
115.65408	0.5
116.04961	0.8
118.06499	3.0
119.06850	0.9
120.07204	1.6
128.04941	3.5
130.06488	3.8
130.96310	0.9
137.06007	0.4
144.08066	4.3
146.05991	35.3
147.06343	2.4
147.93098	0.5
148.03951	0.5
148.06670	5.5
148.97404	1.8
149.02338	3.4
162.05475	100.0
162.47501	0.4
166.98763	0.5
190.04973	56.6
190.07571	1.9
190.14294	0.5
196.45889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
54.75260	0.3
56.05019	0.5
60.04501	0.4
61.01156	0.5
72.08145	0.4
77.68345	0.4
79.50230	0.4
84.58578	0.4
106.05007	0.5
116.04982	0.5
118.06534	1.9
125.96959	1.9
128.04936	3.3
130.06526	5.1
134.97435	0.8
144.04410	0.4
144.08061	2.8
146.06003	25.1
148.97305	0.5
149.02309	2.7
153.76569	0.4
154.28998	0.4
162.05475	100.0
172.07573	0.7
190.04971	51.9
190.08455	3.4
190.12291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0698
Annotation	Oospolactone
Peak:m/z	Relative Intensity
54.78689	1.7
55.05488	1.9
62.01432	2.1
63.01767	2.0
69.03387	3.3
69.07037	2.1
69.93494	1.8
73.57566	2.7
79.05470	3.0
91.05428	3.3
92.16883	2.2
93.07016	4.4
95.08599	3.2
100.86175	2.2
102.04631	3.2
102.21432	1.9
103.05450	54.7
105.07005	12.5
107.04916	8.3
107.08566	4.6
117.06988	5.2
118.04126	37.8
119.50790	2.3
121.06451	4.0
121.10112	10.7
123.08051	3.0
130.04150	22.0
131.04898	72.7
131.08542	3.2
132.05626	2.4
133.06438	2.8
133.10094	9.0
135.08026	17.5
135.11649	2.5
145.06418	4.3
145.10117	13.8
146.03612	3.3
147.11644	2.8
148.05173	31.0
149.09596	29.9
149.93103	2.3
151.40234	2.2
163.07478	50.5
163.11089	15.8
173.05928	11.9
173.09616	2.7
173.13206	3.2
176.04646	46.0
191.03085	3.1
191.06984	100.0
191.10594	29.8
191.14221	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	191.07
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.20587	1.2
65.93289	1.2
68.59184	1.3
79.05443	3.5
91.05413	1.8
93.07011	1.7
95.08556	1.5
102.04659	3.5
103.04805	2.2
103.05457	54.9
105.06998	8.9
107.08575	2.2
108.90463	1.7
115.05438	2.4
117.06967	7.1
118.04137	55.0
119.04940	2.1
121.10111	2.3
130.04144	24.3
131.04898	69.4
131.08513	3.5
133.02750	1.6
133.10063	3.0
135.08063	3.3
145.06479	3.2
145.09940	2.6
146.03593	6.7
147.04358	6.3
148.05148	24.8
150.02562	2.5
158.03543	2.4
161.05980	2.1
163.07539	16.4
173.05939	10.1
173.09514	1.9
173.13225	3.3
176.04657	66.1
189.37976	1.5
191.06993	100.0
191.10609	7.2
191.14226	7.1
191.17755	1.9
191.26265	1.5
201.60120	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	191.0702
Annotation	Oospolactone
Peak:m/z	Relative Intensity
66.75465	0.9
73.42954	0.9
73.98613	1.0
79.05501	1.6
90.96986	1.0
91.05444	2.4
93.07033	2.4
95.08583	2.0
102.04665	5.2
103.05469	61.6
105.03356	1.9
105.07019	10.9
107.04938	2.1
107.08578	5.0
108.90450	1.7
112.62634	1.2
115.05441	3.9
117.07005	6.8
118.04156	54.2
119.04941	1.7
119.08601	1.5
120.05723	1.3
121.10202	3.1
129.32637	1.0
130.04143	27.0
130.49561	1.0
131.04926	68.7
131.08562	4.7
133.02791	4.1
133.10103	4.4
135.08020	4.9
137.05887	1.0
145.06468	4.9
145.10074	2.5
146.03561	9.9
147.04407	7.1
147.11697	1.9
148.04073	2.0
148.05165	24.3
149.09618	2.1
149.13252	2.1
150.02675	1.9
158.03651	4.0
161.06004	3.7
163.07497	19.9
173.05959	14.9
173.13248	2.2
175.93811	1.1
176.04668	74.6
191.07019	100.0
191.10645	6.9
191.14294	8.8
208.41852	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	191.0702
Annotation	Oospolactone
Peak:m/z	Relative Intensity
61.20917	0.6
61.84972	0.6
64.23094	0.7
69.03746	0.6
71.92283	0.6
79.05496	1.4
80.39143	0.6
90.04673	1.4
91.05446	2.7
93.07013	0.8
95.08586	1.2
102.04688	6.0
103.05461	51.7
105.03374	1.4
105.07018	5.6
106.47504	0.7
107.04929	0.9
107.08572	1.3
108.90454	1.1
109.06476	1.4
115.05450	2.8
117.07015	6.1
118.04143	49.8
119.04896	1.6
120.05682	1.7
121.06436	0.7
121.10102	0.7
130.04126	25.2
131.04915	63.0
131.08522	1.1
133.02800	1.7
133.06464	2.6
133.10114	1.0
135.08072	1.4
135.11684	1.3
145.06451	4.3
145.10077	1.0
146.03616	8.8
147.04401	4.4
148.05170	19.6
149.09570	0.8
149.92996	0.7
158.03650	1.1
161.05989	1.6
163.07516	19.8
164.70041	0.7
173.05949	15.4
173.09579	1.0
173.13283	0.9
176.03087	1.7
176.04660	70.2
191.07005	100.0
191.10648	2.9
191.14268	2.7
191.17998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0814
Annotation	(-)-Chrysogine
Peak:m/z	Relative Intensity
55.01870	0.9
55.05503	0.4
56.96541	0.5
61.68335	0.3
62.06081	0.3
63.46796	0.3
69.03404	0.5
72.93783	10.6
83.04963	0.3
86.03551	0.7
86.09704	1.4
90.94822	22.7
91.05457	0.5
95.04961	1.4
97.86646	0.3
106.06576	0.3
108.95824	2.8
109.06508	1.4
113.96394	4.0
117.07009	0.5
118.06532	0.5
118.54391	0.5
124.00655	0.3
129.53629	2.6
131.95065	0.7
131.97415	2.8
132.06798	0.8
133.54854	0.4
134.06020	2.5
135.08119	0.5
137.05933	0.5
138.54146	6.9
145.06516	0.6
145.07507	1.1
145.10092	0.7
146.01251	0.4
146.06006	6.6
147.05528	1.4
147.09171	0.6
147.54642	8.6
148.06279	1.4
148.07520	0.7
149.01213	0.6
149.96104	29.3
156.55214	0.9
162.05479	53.0
163.05850	0.6
163.07419	0.6
167.97144	16.0
172.97682	4.5
173.07085	32.7
174.05475	12.7
176.05754	0.8
190.98714	2.6
191.08144	100.0
204.05299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1024
Annotation	C20914
Peak:m/z	Relative Intensity
54.81964	0.7
56.05026	2.2
56.96560	1.2
57.03385	1.0
57.93256	0.8
58.06592	1.5
62.06084	100.0
68.05003	2.1
68.53716	0.9
70.02946	1.7
70.06581	5.3
74.02440	1.1
74.06058	5.8
74.43848	0.8
74.44286	0.8
76.02203	4.7
76.03975	6.2
79.02167	4.7
84.04491	74.4
84.08141	10.5
85.02913	1.0
85.06529	2.1
86.06053	5.4
88.02195	38.3
88.03967	12.6
98.97495	1.0
102.05550	1.7
104.05280	1.5
110.02371	9.8
114.05505	7.2
116.07043	1.8
120.06532	1.2
127.04974	1.8
127.08667	6.0
128.07056	57.7
130.04988	24.0
130.08595	4.0
131.00137	1.9
131.04504	2.0
132.06535	8.1
145.10561	1.5
145.14165	1.2
146.72484	0.9
149.01216	1.8
156.02876	1.6
156.06508	4.7
162.05452	5.2
173.07002	2.0
173.09152	11.3
174.02240	2.1
174.07579	54.0
191.02180	1.2
191.04884	1.7
191.10204	12.7
191.14618	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	191.1064
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
51.25745	1.0
51.30116	0.9
58.88448	1.1
68.77370	1.0
69.03413	5.1
69.07045	1.3
71.87226	1.2
73.48032	1.1
79.05487	2.8
81.07043	1.7
85.67776	1.1
91.05405	3.3
93.07049	9.9
105.07013	8.0
107.08564	13.4
108.90486	1.8
117.06994	1.9
119.08559	2.8
121.06444	4.5
121.10133	17.7
130.07764	1.8
131.08525	10.6
133.10106	4.5
135.08005	6.0
135.11667	8.3
145.10118	28.5
147.08109	1.5
147.11745	1.7
148.08830	5.1
149.09610	100.0
163.11163	72.3
163.12244	1.7
173.09615	17.5
173.13190	1.5
180.99069	1.1
191.07014	6.4
191.10648	92.3
191.14311	7.9
191.17929	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	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.53064	0.9
55.05485	1.1
57.07066	12.8
68.84863	1.0
77.88630	1.0
81.04504	1.2
95.08591	1.9
107.06055	1.8
107.08588	2.3
108.90453	2.8
109.07619	4.9
122.03184	1.4
123.09108	1.3
126.06107	1.1
135.07997	2.2
135.09012	1.4
142.26663	1.1
148.08681	2.5
149.02342	14.4
149.08215	1.9
149.13196	1.4
149.93048	1.0
150.02660	46.0
150.06561	1.4
150.10204	1.7
151.77000	1.3
161.12965	1.2
163.11139	5.7
167.34077	1.2
173.13156	1.3
174.10251	2.1
175.11128	2.3
191.10608	5.0
191.12839	6.9
191.14273	100.0
191.17865	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.59783	1.4
55.43142	1.3
57.53815	1.5
67.05499	3.7
69.03429	3.8
69.07056	3.4
71.04982	16.8
79.05482	2.6
81.07043	7.9
83.08628	2.3
85.06511	2.5
90.94842	2.3
91.05466	3.1
93.07043	9.2
95.04939	3.4
95.08597	6.9
97.06523	3.4
103.05460	9.4
105.07034	19.5
107.08586	36.2
108.90458	1.9
109.06487	22.3
109.10134	30.7
117.07001	3.3
118.04153	1.9
119.08587	4.0
119.62540	1.5
121.06487	3.1
121.10123	28.4
123.08051	12.3
131.04904	7.7
131.08537	22.6
133.09109	3.8
133.10118	100.0
135.08015	27.6
135.11656	3.5
137.09584	12.3
145.10143	13.3
147.11652	7.9
148.05136	2.4
149.09630	8.4
149.13266	12.3
149.96178	1.9
158.10934	3.3
162.05498	2.2
163.07515	10.9
163.14711	2.6
167.97214	2.3
173.09552	2.8
173.13229	34.6
191.06967	13.2
191.10622	8.0
191.14264	59.6
209.75665	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	192.0654
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
72.04485	0.7
77.66187	0.1
90.94820	0.3
91.05464	0.1
94.51524	0.1
106.47424	0.1
118.06551	0.3
128.04892	1.2
132.04445	1.9
132.95810	1.9
133.06480	0.3
146.06000	100.0
149.96100	0.3
150.96890	2.7
167.97112	0.2
174.05475	6.0
191.97147	0.3
192.03008	0.2
192.06439	1.3
192.11279	0.7
192.13821	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	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
57.03197	0.2
57.03434	3.6
57.96506	0.2
58.93070	0.2
59.04977	0.2
66.62559	0.2
73.70232	0.2
81.06998	0.3
91.05467	38.4
93.07002	0.4
95.04939	0.4
103.05441	0.3
105.07019	5.1
106.44608	0.2
109.52957	0.2
115.05446	0.9
119.08562	0.3
133.02821	1.5
133.06465	6.7
133.10109	1.4
135.07991	0.2
137.05968	0.8
143.05965	0.3
146.97469	0.4
147.11655	0.4
150.03116	1.3
161.02295	0.9
161.05956	7.6
165.05446	0.3
169.98944	0.4
175.07495	0.3
178.02576	15.3
179.03326	0.3
183.50943	0.2
193.04941	100.0
193.08510	5.2
193.12137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	26.5
57.03416	0.6
58.10492	0.6
61.01142	14.8
65.49523	0.5
67.05521	0.7
74.36228	0.5
74.38312	0.5
81.07104	0.6
85.02916	0.6
88.02200	22.5
90.03770	0.7
91.05472	0.9
92.48110	0.7
93.07042	0.7
97.02881	4.0
99.04451	1.0
105.07021	3.3
109.06484	0.7
112.45028	0.6
115.02123	2.4
128.96382	1.0
132.95786	0.8
133.06480	4.8
133.10123	1.1
134.02727	0.8
135.08025	0.9
136.06166	100.0
137.01192	1.0
139.01740	0.7
141.01649	0.7
146.06000	0.8
146.97417	3.0
147.11604	0.7
148.03961	0.9
148.97151	7.7
150.96881	2.7
152.05675	4.3
161.02711	1.0
161.05974	3.0
166.98154	0.8
169.99065	3.4
170.06512	9.3
175.15057	0.8
176.07033	18.6
192.96161	1.5
193.04845	4.5
193.07283	0.9
193.09796	1.3
193.15958	1.2
195.94908	1.2
210.97208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0856
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01849	1.7
57.03439	8.5
67.05466	1.4
73.37075	1.0
79.05484	2.4
79.55647	1.0
81.07040	1.6
88.89397	1.0
91.05468	100.0
93.07023	4.8
95.04971	1.1
95.08594	2.1
103.05450	5.0
105.07023	67.8
107.08557	1.7
109.06579	1.2
115.05438	9.7
116.08377	1.0
118.04113	1.6
119.08534	1.9
120.98017	1.2
121.06482	1.3
123.11678	1.3
132.93497	1.0
133.02805	2.2
133.06474	81.6
133.10123	9.1
135.08028	2.3
137.05965	2.2
143.06039	7.3
146.05974	5.0
146.97423	5.6
147.06328	36.4
147.08031	2.4
147.11650	2.6
150.03090	1.4
151.03879	2.8
151.07509	1.3
161.05951	97.8
165.05475	2.8
165.08995	1.8
169.99001	2.7
175.07338	1.5
175.11102	1.4
175.14790	1.7
178.02562	11.9
193.04927	69.3
193.08562	26.8
193.12207	6.4
193.15843	1.7
199.76453	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	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
54.02182	0.8
55.01864	3.3
58.79577	0.9
62.73924	0.8
66.35565	0.9
67.05499	1.2
70.35807	0.9
79.05473	3.6
79.47677	1.0
81.07024	1.2
91.05456	5.7
95.04939	1.6
103.05440	5.3
105.07012	61.2
107.04955	1.9
107.06865	1.2
109.06500	1.2
115.05423	9.8
118.04151	2.0
119.08568	2.0
121.02838	3.9
121.06456	1.4
131.04881	1.0
133.02846	3.8
133.06467	85.3
133.10083	6.5
135.08078	1.1
143.04982	2.0
143.05951	7.6
146.97433	5.2
147.11638	1.6
148.02460	2.1
151.07523	1.9
161.05934	100.0
163.07501	1.0
165.05438	0.9
169.98920	3.3
175.03864	2.2
175.07410	1.5
176.07082	1.1
178.02589	1.9
193.04906	23.9
193.06764	2.2
193.08464	21.7
193.12222	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	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01865	1.4
68.77021	0.8
71.14317	0.6
79.05482	3.5
81.07059	1.0
85.06554	0.9
90.47858	0.7
91.05468	4.2
93.07028	3.8
95.04970	0.8
95.08595	0.8
103.05457	3.4
105.07024	64.5
107.08604	2.9
109.06564	0.8
109.10182	1.3
115.05452	10.0
115.92825	0.7
118.04152	2.9
119.08584	3.0
120.03568	0.7
120.05245	1.4
128.96400	0.8
131.04953	1.4
133.06480	79.9
133.10139	1.3
135.08104	0.8
135.11681	3.2
137.05988	1.5
143.04971	1.1
143.06039	5.3
146.97446	5.0
161.05956	100.0
165.09071	1.2
169.99010	3.3
175.11211	0.8
175.14845	2.9
178.02489	1.0
193.04968	6.1
193.08598	15.2
193.12256	3.2
193.14096	0.8
193.15840	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	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01871	2.2
58.23185	0.3
59.19482	0.3
65.27686	0.3
79.05484	3.6
81.07048	0.3
87.04469	0.7
90.04713	0.4
91.05479	2.0
93.07014	0.7
95.04948	0.5
97.22047	0.4
97.63480	0.3
103.05488	3.9
105.07029	62.2
107.08607	0.7
112.12930	0.4
115.05446	9.3
117.94585	0.4
118.04163	2.2
119.08546	0.4
120.44432	0.4
128.96373	0.4
131.04958	2.0
132.05714	0.4
133.06482	74.8
133.10146	2.1
135.07973	0.8
135.11693	1.7
137.05984	0.5
143.04921	1.6
143.06052	6.6
146.97429	2.4
147.11633	0.4
149.02328	2.2
152.01660	1.8
161.05962	100.0
169.99040	1.2
175.11169	0.4
175.14799	0.7
178.06363	0.4
193.04933	2.7
193.06779	0.4
193.08588	11.0
193.10236	0.6
193.12303	0.4
193.15851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0855
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
54.28873	0.5
55.01861	3.5
55.05503	0.6
57.03434	8.1
61.05996	0.6
63.44619	0.5
64.31870	0.5
67.05489	4.3
79.05488	5.2
81.07037	3.7
83.01321	1.2
85.02885	47.9
91.05460	5.6
93.07011	9.7
93.59215	0.5
95.04949	1.5
95.08582	16.7
103.05432	5.4
105.04523	0.8
105.07008	69.5
107.08559	6.2
109.06461	2.8
109.10133	31.0
109.92447	0.7
115.05426	7.8
118.04145	3.1
119.08527	6.2
121.06475	0.7
121.10111	9.6
123.08047	2.8
123.11681	1.4
128.96379	1.0
129.10371	0.8
131.04915	1.3
133.06458	81.3
133.10103	4.4
135.08078	0.9
135.11627	1.1
137.05983	3.9
137.09590	14.3
137.13235	1.5
143.04973	1.1
143.06027	6.0
146.97429	3.7
147.11658	10.4
151.11157	3.0
160.08777	0.7
161.05928	100.0
165.12688	8.0
169.99042	1.3
175.11127	12.9
175.14725	0.8
179.85658	0.7
193.04944	5.1
193.08554	11.6
193.10287	1.2
193.12184	19.5
193.15858	1.3
212.09654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.21353	0.5
55.01855	1.2
55.05508	1.1
57.03176	0.7
57.03434	18.0
67.05487	6.0
69.07054	1.2
71.04978	0.7
75.44254	0.6
76.25066	0.6
79.05466	3.7
81.07040	4.7
83.01321	3.9
85.02892	100.0
90.30546	0.6
91.05449	5.2
92.17380	1.3
93.07026	25.8
95.04927	3.5
95.08593	31.2
103.05449	3.0
105.07020	60.5
107.07962	0.9
107.08579	8.7
109.06493	3.2
109.10142	61.5
114.90932	0.7
115.05437	9.5
118.04101	1.0
119.04877	1.3
119.08534	9.1
121.06500	0.8
121.10119	15.4
123.08057	4.8
123.11671	3.6
124.99912	0.7
127.07518	0.8
128.96346	1.0
131.04926	1.2
133.06470	63.5
133.10103	8.4
135.08055	1.4
135.11653	1.4
137.05945	4.5
137.09604	24.3
137.13239	4.6
143.05003	1.0
143.06017	4.7
146.97435	5.3
147.08034	1.3
147.11679	14.3
151.11148	4.3
152.01636	1.1
152.94743	0.8
160.08778	1.1
161.05951	78.5
165.12726	13.7
169.99051	4.0
175.11143	26.0
175.14796	0.9
193.04932	3.7
193.08618	9.1
193.12219	34.3
202.36829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.62048	0.6
55.01853	0.8
55.05502	1.0
57.03167	0.8
57.03430	15.4
57.07055	0.8
59.52624	0.6
59.73519	0.8
61.12406	0.7
67.05485	3.4
69.07066	1.2
72.38939	0.7
73.81615	0.7
76.20646	0.7
79.05476	3.3
81.07047	15.4
83.26933	0.8
85.02878	1.8
90.03362	0.7
91.05449	4.9
93.07032	8.7
95.04958	0.9
95.08589	23.5
97.06471	0.7
105.07013	42.9
107.08578	5.6
109.06497	1.8
109.10139	9.5
115.05434	3.2
118.04205	0.9
119.08555	13.9
121.10119	100.0
123.08038	1.0
123.11691	8.6
128.96367	0.8
133.06468	22.2
133.10120	6.5
135.08063	1.2
135.11667	1.7
137.05978	1.2
137.09505	1.1
137.13220	19.9
143.06029	1.3
146.97423	6.1
147.11667	43.7
150.06784	1.0
152.01666	1.5
161.05931	25.0
165.09103	3.0
165.12701	16.3
169.98978	3.1
175.11182	3.1
175.14809	3.0
193.04944	4.7
193.08562	4.9
193.10370	1.5
193.12210	29.0
193.14024	1.0
193.15811	3.6
194.05843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05512	1.1
55.35333	1.0
57.03450	0.8
59.04996	2.4
61.10938	1.0
65.91811	0.9
67.70866	1.0
69.07056	4.3
71.04983	4.3
72.80680	1.1
74.46878	0.9
79.05483	4.8
81.07063	7.9
87.04495	1.2
91.05460	9.3
93.07040	21.6
95.08598	6.2
95.22732	1.0
103.05470	1.5
105.07024	34.7
105.69265	1.2
107.08585	26.7
109.06547	1.8
109.10167	2.4
115.05434	4.3
119.04939	1.1
119.08569	19.5
121.10118	2.4
123.08080	2.5
123.11694	2.4
129.98909	1.0
133.06485	33.0
133.10121	35.2
135.08043	6.7
135.11681	100.0
137.05992	2.2
137.09636	5.3
143.05989	1.4
143.53304	1.1
146.97438	5.1
147.11696	5.9
152.01613	2.4
157.10121	1.2
161.05949	37.4
169.40292	1.2
169.99010	5.0
175.11320	1.5
175.14799	37.9
175.16251	2.0
176.35883	1.1
178.02673	1.3
193.04958	4.3
193.08572	6.9
193.12251	5.0
193.15840	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	193.1585
Annotation	alpha-Ionone
Peak:m/z	Relative Intensity
54.02452	2.2
54.03448	2.0
55.05503	10.2
56.05021	2.4
59.06110	4.2
67.05496	25.9
69.07054	10.5
70.06566	3.0
70.84008	2.2
71.04992	12.7
71.48507	2.6
79.05491	25.1
81.03406	19.7
81.07043	36.8
82.06541	2.6
83.04971	5.1
83.06098	4.9
83.08618	5.3
85.05986	2.7
85.06498	4.8
85.07643	2.9
86.51991	2.7
91.05481	27.2
93.04548	2.5
93.07030	35.9
95.04942	12.8
95.06087	4.0
95.08589	52.1
97.06511	5.7
97.07619	6.2
99.08098	3.4
99.82281	2.4
105.07040	27.6
107.04906	4.5
107.08598	26.6
108.05586	4.8
108.08883	2.5
109.06496	9.5
109.07658	13.4
109.10131	27.6
110.07156	18.4
110.08415	3.6
111.05553	3.0
111.08046	5.6
111.09176	11.2
119.08567	37.5
121.10114	19.6
122.07092	3.4
123.08014	4.7
123.09181	3.5
124.08674	4.9
129.07002	5.5
131.08566	5.8
133.06456	11.1
133.10098	55.9
134.07114	13.0
135.08115	3.2
135.09137	5.1
135.11664	21.7
137.05928	3.5
137.09595	6.2
140.80643	2.9
146.97388	5.8
147.08022	11.0
147.11618	27.4
148.08752	3.0
149.09636	4.7
149.13216	23.8
150.10237	17.2
151.09734	19.1
151.11017	4.6
152.08156	14.1
152.10129	3.6
152.11801	6.1
153.08992	3.0
155.08105	3.3
157.10123	4.7
161.05966	4.1
169.98993	5.6
175.11151	15.4
175.14789	93.2
176.08185	3.6
176.11778	6.3
193.04953	20.0
193.08595	13.0
193.10706	14.5
193.12233	29.4
193.14384	21.9
193.15851	100.0
196.00829	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	195.0652
Annotation	Scytalone
Peak:m/z	Relative Intensity
55.01861	0.2
62.86438	0.2
63.02380	0.3
63.31852	0.2
67.05494	0.5
68.99750	0.2
69.07066	0.2
71.04993	0.2
79.05489	0.4
81.07052	0.4
83.04973	0.2
89.03905	5.4
89.06020	4.0
91.05470	1.0
93.07017	0.8
95.04955	0.5
95.08613	0.4
98.66595	0.2
103.05415	0.3
106.04179	0.3
107.04967	1.0
107.08578	0.9
109.98926	1.0
112.96725	0.5
117.03362	16.9
119.08543	0.3
121.06487	0.5
121.10104	0.4
125.05982	0.5
128.00014	0.2
130.96298	1.0
130.97771	0.2
133.08589	0.9
134.03644	1.5
135.04411	4.7
135.08078	0.4
135.11656	0.3
136.04738	0.9
137.05984	2.3
137.09547	0.3
138.06599	4.3
145.02831	83.5
147.04358	0.2
148.97340	1.4
149.05957	13.5
149.09587	0.5
153.05435	0.8
153.97890	1.0
162.03148	1.5
162.85616	0.2
163.02573	0.4
163.03873	9.1
171.98953	1.0
177.05443	100.0
181.56815	0.2
186.05464	0.8
195.06445	2.0
195.08731	9.3
195.10124	0.6
195.12076	1.8
198.75864	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	195.0651
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.61877	0.2
55.01874	0.2
55.05510	0.3
57.03441	0.3
58.06604	0.3
59.06944	0.2
63.02371	0.3
71.94105	0.4
78.04713	0.3
79.05492	0.6
81.07081	0.5
89.03904	4.8
89.06017	3.3
91.05469	1.2
93.07025	2.1
95.04958	1.0
95.08611	1.5
97.06484	0.3
107.04942	2.2
107.08590	1.6
109.06499	0.4
109.10152	0.3
109.98961	0.6
111.04425	1.0
111.08117	0.3
112.96721	1.5
117.03359	16.9
117.06934	0.2
119.04880	0.4
119.08568	1.7
121.06482	0.9
123.04392	0.3
125.05976	0.5
130.96222	0.4
130.97729	0.3
131.08525	0.5
133.08604	0.3
133.10115	0.3
134.03627	2.0
135.04414	5.6
135.08051	1.1
135.11699	1.8
136.04706	2.2
137.09605	1.4
145.02832	80.3
148.97353	1.1
149.05969	11.7
149.09596	1.0
153.05437	0.6
153.09190	0.3
153.97812	0.6
159.11668	1.2
162.03090	1.2
163.03868	9.5
165.05515	0.3
171.98973	0.5
177.05438	100.0
177.12686	1.0
186.05504	0.5
195.02849	0.4
195.06468	2.2
195.10185	0.5
195.12045	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	195.065
Annotation	Scytalone
Peak:m/z	Relative Intensity
54.71941	0.3
62.72312	0.3
63.02358	0.6
89.03913	5.4
89.05999	1.3
91.05495	0.4
93.07008	0.4
103.05457	0.3
109.66017	0.3
117.03355	18.6
125.46439	0.3
134.03583	2.1
135.04422	3.3
138.06601	1.5
145.02832	86.6
149.05971	14.7
153.05443	0.4
162.03088	1.5
163.03873	8.1
164.20424	0.3
171.98938	0.4
177.05446	100.0
186.05521	0.5
195.06488	0.7
195.08713	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	195.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35585	0.4
53.08358	0.4
54.67759	0.4
55.01857	0.4
55.05496	0.7
64.93264	0.5
67.05476	0.4
69.07050	0.8
70.06547	0.6
79.05476	0.8
81.07027	0.9
83.04981	0.5
84.08122	1.9
89.06007	100.0
91.05481	0.7
93.07010	1.8
95.04945	0.8
95.08564	2.2
97.06523	0.6
98.97564	2.2
107.04930	1.8
107.07050	4.5
107.08563	1.1
109.06484	0.5
109.10197	0.5
109.98925	2.6
111.04404	2.2
116.98583	2.2
119.08476	0.4
121.06461	1.0
121.10140	0.8
123.08060	0.5
125.05978	4.0
127.99954	0.5
130.96255	2.1
133.08569	17.2
135.04395	2.9
135.07993	0.7
135.11703	0.5
136.04779	2.6
137.09610	2.0
139.03891	0.7
145.02753	3.3
148.97325	2.9
149.05942	2.4
149.09621	1.9
151.09595	2.7
153.05418	18.2
153.06654	0.6
153.97902	2.7
154.04909	0.7
163.03877	2.1
167.03305	0.5
167.06944	0.8
171.98955	2.9
175.75346	0.5
177.05377	4.3
177.08994	0.9
177.16391	0.9
195.02896	2.0
195.06346	0.9
195.07855	0.7
195.12263	6.9
195.14993	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	195.1378
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
50.79326	1.1
53.78851	1.0
56.32674	1.2
57.03426	3.2
67.05485	7.0
68.43149	1.2
69.03401	5.4
69.07057	3.0
71.94088	6.9
71.95263	1.3
72.67318	1.1
79.05479	6.3
81.07038	10.4
83.04964	1.4
83.06071	1.2
87.04446	1.4
89.06019	23.6
91.05460	2.8
92.16776	1.4
93.07042	18.4
94.84595	1.2
95.08591	11.9
97.06532	1.7
105.07024	22.2
107.04946	6.4
107.08583	18.7
109.06482	1.3
109.10164	10.2
109.98905	1.5
112.89079	1.2
112.96690	12.0
114.51774	1.4
117.07001	6.3
119.08577	16.9
121.06478	7.4
121.10115	44.1
123.11686	6.6
126.04760	1.2
130.96289	2.2
130.97708	2.3
131.07635	1.2
131.08557	8.9
133.08600	2.5
133.10129	7.9
135.04402	5.5
135.08055	2.6
135.11671	100.0
136.04744	6.8
136.98497	1.2
137.09612	7.3
139.07486	5.0
144.09294	1.5
145.02844	7.7
147.11690	2.9
148.97314	1.3
149.09590	3.2
149.13237	14.5
153.97884	2.2
159.11664	57.1
163.03859	2.5
171.98875	1.7
177.05450	8.4
177.12714	41.3
177.16315	2.4
180.09340	1.8
195.08287	1.4
195.11951	18.1
195.13811	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.01868	1.7
55.05517	11.9
57.03431	6.2
57.07072	1.4
59.36110	1.2
65.03936	1.6
67.05153	2.2
67.05508	57.0
69.07069	15.8
71.01362	1.5
71.04989	6.4
73.02959	1.4
73.74928	1.1
79.05495	31.1
80.56290	1.4
81.03432	10.6
81.07059	100.0
83.04987	12.9
83.08632	14.1
85.06533	5.4
89.06023	2.5
91.05479	27.6
93.07040	63.3
95.04958	5.7
95.08598	32.5
97.06524	12.2
100.81540	1.3
105.07030	9.0
107.04970	1.7
107.08601	30.3
109.06495	2.4
109.10149	5.1
111.08080	8.5
112.96716	2.8
117.07020	12.5
117.88846	1.5
119.08566	5.3
121.06497	4.8
121.10139	10.4
123.11709	2.0
125.09633	1.3
131.08565	12.5
133.10124	35.4
135.04402	2.3
135.08028	5.3
135.11693	38.2
136.04741	2.4
145.02837	6.3
149.13260	30.8
151.11182	5.8
159.11678	22.9
163.03851	1.7
177.05528	3.0
177.12735	14.9
185.74907	1.3
195.10211	14.8
195.12071	5.8
195.13768	36.0
207.19130	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	195.1375
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.01856	2.8
55.05498	13.9
57.03414	8.7
57.07052	1.9
58.06593	2.0
67.05490	69.5
69.07051	20.6
70.39029	1.8
71.01339	2.7
71.04968	3.8
71.94073	3.3
79.05030	2.4
79.05483	48.5
79.06439	2.0
81.03396	12.4
81.07040	100.0
83.04960	24.0
83.08624	15.6
85.06525	2.4
89.06006	40.0
91.05443	24.5
93.06451	2.8
93.07018	67.4
95.04943	8.5
95.08580	35.7
97.06497	19.6
99.08067	2.3
105.07012	12.8
107.04943	2.2
107.08562	32.0
109.06479	4.4
109.10124	3.6
111.08030	10.2
112.96693	17.0
117.03358	2.0
117.06981	14.0
119.08529	3.5
121.06463	8.6
121.10088	13.0
125.05953	2.1
130.96268	2.1
130.97734	3.4
131.08525	19.0
133.08571	8.1
133.10075	18.3
135.04341	2.6
135.08047	3.8
135.11681	31.0
136.04738	11.9
138.06529	2.3
145.02806	8.1
148.97345	3.8
149.05940	2.4
149.09612	2.4
149.13223	27.7
153.97845	2.6
159.11639	27.5
163.03847	3.0
171.98845	3.3
177.05347	6.5
177.11397	1.9
177.12679	15.9
195.08713	4.1
195.11919	27.7
195.13797	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	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.47987	1.0
51.52996	1.1
53.03932	2.2
55.01860	2.3
55.05510	12.4
57.03422	8.3
57.07070	13.1
59.28984	1.3
65.03899	1.6
67.05498	69.1
69.03400	2.0
69.07060	21.4
71.04976	6.7
71.94080	6.8
79.05483	37.5
81.03404	31.3
81.07046	100.0
83.04964	18.3
83.08611	11.9
83.27280	1.4
85.06526	7.9
89.06017	18.1
91.05457	27.6
93.07030	69.1
95.04963	10.6
95.08592	44.3
97.06504	18.7
105.06412	1.3
105.07019	11.6
107.04935	7.6
107.08573	32.6
109.06481	3.2
109.10155	7.9
109.98943	2.7
111.08090	10.1
112.96693	18.5
117.07001	16.0
119.08562	5.0
121.06494	12.7
121.10101	16.5
123.11668	1.9
125.61257	1.4
130.97748	3.0
131.08553	20.6
132.06007	1.4
133.10123	28.7
135.04402	2.9
135.08015	6.5
135.11670	36.0
136.04733	8.3
137.09674	2.7
138.06604	8.2
139.03815	2.4
145.02832	8.3
149.05965	2.5
149.09628	3.0
149.13255	33.8
151.11128	3.2
153.97870	2.7
159.11650	24.5
163.03847	2.9
171.98865	2.1
177.05415	13.1
177.12692	19.1
195.08640	10.3
195.10161	9.6
195.12045	14.2
195.13792	31.6
195.17384	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	196.0967
Annotation	N-Acetyldopamine
Peak:m/z	Relative Intensity
54.45853	0.2
56.96561	1.6
62.83873	0.2
67.18990	0.2
72.93756	1.0
73.02915	0.3
73.35719	0.2
77.83530	0.2
81.07034	0.2
89.05997	2.1
90.06333	1.4
90.94787	0.2
95.61229	0.2
96.04470	0.4
98.97561	1.3
99.97921	0.8
113.96384	2.9
113.98650	2.2
116.98594	1.3
117.98949	1.0
121.02817	0.5
124.03843	0.2
128.04109	0.2
131.96121	2.8
131.97398	0.9
131.99670	3.6
133.08606	0.3
134.99644	0.4
136.00029	0.5
137.05951	100.0
145.98256	0.2
147.04390	2.6
149.96040	0.4
149.97141	3.5
150.00708	3.2
153.05400	0.4
153.90762	1.0
154.05801	2.6
154.90714	2.0
154.94189	0.9
154.97723	1.2
172.95174	1.4
172.98798	1.4
179.06990	10.0
190.96289	0.3
195.91826	1.6
196.00255	0.4
196.06126	0.9
196.09674	1.3
196.15321	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	197.0806
Annotation	4-Ethoxy-3-methoxybenzoic acid
Peak:m/z	Relative Intensity
52.60376	0.5
55.01841	0.5
55.05503	0.7
57.03435	0.5
57.67617	0.5
65.03934	13.9
65.13188	0.5
65.26182	0.5
67.05495	1.1
68.93060	0.6
70.95847	3.9
72.93777	0.9
73.02884	2.8
79.05480	1.2
81.03379	0.5
81.07057	2.3
83.04924	0.6
88.96905	0.7
90.92557	0.6
90.94841	0.8
91.05457	1.4
92.16806	1.3
93.03391	40.4
93.07018	1.3
94.90303	0.7
95.04937	3.4
95.08595	1.5
95.67023	0.6
96.96156	0.6
97.06489	0.9
99.14057	0.6
105.03389	0.8
107.04931	0.9
107.08585	1.4
109.06501	3.0
109.10146	3.2
110.03661	9.9
111.04424	64.4
111.98460	17.4
113.96391	1.1
114.94773	0.6
116.64455	0.7
121.06519	1.2
123.04400	4.2
123.08064	1.2
125.05972	100.0
127.03893	2.5
129.99504	2.9
132.95818	15.7
133.10130	3.4
133.11406	0.6
134.06038	0.8
137.05972	13.7
137.09596	2.6
150.96873	16.1
151.03889	12.0
151.07503	3.6
151.11160	0.8
153.05441	75.5
155.97398	21.4
161.09563	2.8
173.98473	15.5
179.07057	3.5
179.10603	6.0
197.00177	1.0
197.08054	21.7
197.09546	0.9
197.09953	0.9
197.11742	3.3
207.26099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0805
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
57.07054	1.7
63.37903	1.8
67.05478	3.4
69.03414	1.3
70.95848	22.6
70.97152	1.3
71.04973	2.4
72.93761	8.5
73.02878	7.9
77.92908	1.3
79.05454	2.2
81.03409	2.1
81.07040	11.0
85.02893	2.0
85.06543	1.5
87.39568	1.3
88.96879	10.0
90.94803	2.1
91.05452	8.1
93.07002	11.1
95.04940	9.6
95.08578	7.0
97.06469	2.1
99.04417	1.9
105.03355	3.0
105.06994	9.1
107.04954	3.6
107.08562	52.5
109.06483	7.5
109.10109	3.5
111.04402	6.2
111.08049	3.4
111.98445	66.6
113.06015	1.5
113.96355	10.1
114.94756	1.5
119.08548	7.9
121.06477	2.1
121.12341	1.5
123.04377	10.1
123.08011	3.6
125.05960	14.2
126.06149	1.8
129.99472	17.3
131.97406	3.2
132.95793	91.6
133.10092	31.0
135.11656	22.9
137.05989	10.4
137.09644	6.9
140.04637	53.0
141.05449	1.8
142.84076	1.5
143.08539	1.5
150.96848	100.0
151.03870	31.4
151.07495	8.8
151.11121	8.1
153.05495	2.7
155.06990	65.8
155.08325	2.2
155.97377	94.2
161.09602	23.4
168.97884	2.8
173.98431	79.9
179.07040	15.1
179.10617	46.3
191.45129	1.4
197.00061	3.2
197.06711	5.0
197.08063	19.3
197.11668	42.2
197.13168	5.0
219.66005	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	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.31609	0.2
54.32453	0.2
55.01867	1.5
70.95853	1.2
72.93777	0.2
73.02908	24.4
73.05341	0.2
91.05476	0.6
93.03390	0.4
103.81583	0.2
110.03651	1.8
111.04420	0.5
111.98458	3.2
119.04939	0.9
125.05973	18.9
129.99486	1.0
132.95811	3.4
137.05995	1.2
141.05457	1.0
143.77284	0.2
149.05946	2.7
150.96878	3.7
151.03891	100.0
151.07426	4.4
155.97391	3.9
173.98407	2.9
179.07011	24.9
197.08067	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	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02359	0.2
53.03935	0.7
54.09562	0.1
57.03423	0.9
60.38069	0.1
60.77788	0.1
69.61822	0.1
70.95844	0.6
72.43340	0.1
72.93770	0.2
73.02886	0.2
77.03898	0.7
79.05490	2.1
93.07044	0.2
95.04954	3.2
97.44353	0.2
105.03376	100.0
107.08580	0.3
111.98454	1.7
113.96423	0.1
123.04404	3.8
125.05993	0.2
129.99500	0.2
132.95821	2.7
133.10129	0.2
135.11580	0.2
137.05984	0.2
137.09671	0.2
141.09070	0.2
150.96849	2.1
151.03882	1.7
155.97388	2.8
173.98466	1.7
179.06984	4.0
179.10683	0.9
197.11723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Phenol A
Peak:m/z	Relative Intensity
55.05489	1.8
67.05480	1.1
68.66828	0.7
69.07053	0.8
70.95869	1.3
73.02893	1.2
79.05444	0.8
81.07041	1.9
84.81884	0.8
91.05457	5.4
93.06602	0.7
93.07039	12.8
94.30049	0.9
95.04948	4.6
95.08575	1.3
105.07011	9.4
105.70156	0.8
107.01042	0.8
107.08582	48.0
109.06496	3.3
109.10139	7.9
111.98457	6.0
119.04981	1.1
119.08533	1.8
119.26721	0.8
119.77379	0.7
121.06488	4.9
121.10118	0.9
123.04378	1.5
123.11662	2.0
125.05977	8.9
127.03937	1.3
132.95779	6.3
133.10115	47.5
135.08055	1.7
135.11678	47.3
137.05956	11.6
137.09586	4.6
143.08492	1.4
150.96857	6.7
151.03899	3.3
151.07397	1.0
151.11157	5.8
155.97342	7.5
161.09587	32.8
167.10561	1.3
173.98450	7.6
179.10645	100.0
197.11702	69.8
213.40152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.087
Annotation	N-Acetyl-L-histidine
Peak:m/z	Relative Intensity
56.46278	0.3
60.08158	10.6
68.05000	0.6
69.03374	0.3
72.08657	0.3
83.06087	1.6
85.02869	2.1
86.09270	0.4
86.09691	7.1
87.04463	0.6
92.16897	0.7
93.04494	0.6
95.06071	43.1
97.02823	0.4
110.07143	100.0
111.05532	0.5
112.08693	0.7
124.03918	1.8
134.06049	0.5
134.07106	1.2
138.05493	0.3
139.01529	10.6
145.04965	0.4
152.07050	2.9
152.08150	31.3
154.13362	14.9
154.14571	0.5
156.07651	35.6
166.03548	0.4
166.94093	0.3
180.02316	0.4
180.06430	0.7
180.07713	4.1
198.08917	18.8
198.12465	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	198.1122
Annotation	3,5-Dimethoxytyramine
Peak:m/z	Relative Intensity
55.01869	2.3
56.96563	2.4
57.07055	5.8
57.57297	1.1
58.95413	1.1
68.60277	1.1
70.95843	1.3
71.83067	1.3
73.06547	1.4
74.93813	11.7
75.68738	1.4
76.90964	1.1
83.01326	10.9
86.09665	2.4
92.94823	2.7
93.07014	2.8
97.02878	10.8
100.03957	3.6
107.08630	1.5
111.08057	10.5
112.98811	1.6
115.03909	10.5
115.96416	66.9
121.06432	1.7
124.03928	11.7
125.02332	30.8
125.05949	13.5
127.03877	2.0
133.97462	19.7
135.08028	2.3
136.61266	1.4
138.09109	3.2
139.03876	17.3
139.07539	10.3
142.04958	21.4
143.03319	1.9
151.97049	1.8
152.10632	2.3
153.09084	45.0
156.07635	2.6
156.10161	5.7
156.98941	1.7
164.04796	1.6
171.10049	2.0
180.10088	12.7
181.08592	16.7
198.05360	1.7
198.09338	3.5
198.11203	100.0
198.12785	8.1
198.14940	5.3
198.18504	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	198.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96058	1.0
58.22058	1.0
58.93942	1.0
60.08160	28.5
68.05002	1.4
78.02364	1.0
78.50506	1.0
84.65681	1.1
90.67699	1.1
95.06087	100.0
101.44926	1.3
137.01347	1.3
143.80287	1.2
154.13370	40.3
174.98677	1.2
179.99051	4.6
198.00227	1.7
198.08954	1.3
198.12305	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	198.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.1
59.42616	2.7
67.05492	7.0
69.07050	41.5
71.22495	3.1
74.93814	14.1
78.88551	2.8
79.05480	5.3
81.07047	4.9
81.97213	2.9
83.08607	4.2
86.06056	3.3
87.73895	2.9
92.94817	7.5
93.07023	20.3
95.08579	6.5
97.06533	6.1
100.07609	4.7
107.08567	13.3
111.11674	5.0
114.09134	5.0
115.96415	91.3
121.10140	4.5
124.03925	6.1
129.73602	3.3
133.97470	35.0
135.11676	32.5
135.72322	3.0
138.09097	6.2
152.04192	5.2
152.14304	34.1
153.12730	7.6
154.12210	14.3
156.99046	4.5
170.15353	7.3
180.13774	21.4
195.17097	3.1
198.05830	3.4
198.07716	3.4
198.12836	15.1
198.14824	100.0
198.18472	6.3
203.05948	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	198.985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09257	8.2
53.57184	9.0
55.12636	8.9
60.08147	17.1
66.63164	9.6
94.28190	13.1
95.06077	47.6
96.05816	15.7
96.06416	60.3
98.97576	72.2
103.31471	10.5
111.04381	11.5
116.98543	90.4
119.01865	17.2
130.03508	49.9
134.02963	51.3
134.99615	60.2
136.31853	11.6
155.13690	47.1
156.97400	20.4
157.04483	12.6
158.03004	57.3
174.98532	64.3
176.03995	100.0
180.99242	13.1
198.87625	22.5
216.99495	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	199.1326
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.05505	3.0
57.03420	0.4
57.07066	7.6
57.93557	1.5
62.13902	0.4
67.05491	0.6
69.03403	0.5
69.07051	2.9
74.09692	2.2
79.76765	0.3
81.07040	2.2
83.04958	2.4
83.08580	0.4
85.06512	2.1
93.07033	2.7
95.08596	3.4
97.06493	0.6
98.96145	0.5
102.09171	18.0
105.07001	0.5
107.08575	5.5
109.06503	0.6
109.10109	0.6
111.04424	35.6
111.08069	1.5
111.11695	0.4
113.98501	0.8
115.96444	0.7
116.97201	20.5
116.98521	0.7
121.06503	0.5
121.10101	0.9
125.05959	8.4
127.07587	0.7
131.99536	7.3
134.95856	2.5
135.08051	5.1
135.11665	7.7
137.48961	0.3
139.07507	1.6
139.98814	0.5
145.10094	6.2
150.57869	0.4
152.96907	4.7
153.12720	1.8
157.97432	5.5
158.15372	100.0
163.11130	8.9
175.98491	18.1
181.12204	14.5
182.86110	0.4
199.00066	0.5
199.11127	0.4
199.14810	0.5
199.18880	5.1
206.65588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1478
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
50.67243	0.6
55.05500	3.5
55.63021	0.7
56.89418	0.6
57.07068	1.4
64.76261	0.7
69.07069	6.9
74.09696	3.9
76.81982	0.6
93.07018	1.4
100.07607	1.5
102.09168	1.7
102.58190	0.8
105.06998	5.5
107.06907	0.7
107.08533	1.1
111.11684	1.3
116.97214	1.0
119.08536	4.2
128.06221	3.6
129.06958	4.4
131.08536	10.6
133.96596	0.8
141.06981	3.2
142.07744	8.4
143.08542	43.0
145.10052	3.2
155.08508	3.7
156.09338	13.5
157.08789	1.3
157.10097	41.3
157.97417	1.2
158.10951	1.1
158.15372	10.7
169.10034	2.9
170.10881	9.8
171.11649	20.4
175.98412	0.9
179.59978	0.9
181.01340	0.8
184.12453	7.4
199.11200	6.1
199.14790	100.0
200.38510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1802
Annotation	Cycluron
Peak:m/z	Relative Intensity
55.05508	1.7
57.68731	0.2
69.07057	0.4
71.38942	0.2
72.04510	5.5
74.09706	100.0
75.14134	0.3
83.08604	5.9
100.07602	28.9
116.97205	3.6
117.10252	2.6
131.99564	0.6
135.46323	0.3
138.25151	0.3
144.88271	0.3
152.96904	0.6
157.97488	0.6
161.77724	0.3
175.98492	3.0
199.18022	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	200.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82080	2.3
70.18489	2.5
72.08134	11.8
77.63244	2.6
83.06082	13.2
84.04496	18.5
84.75611	2.7
92.17070	3.5
95.06091	3.7
98.97594	3.4
100.07586	4.8
104.10743	4.4
126.07866	3.0
127.08672	15.0
129.10194	3.8
130.76564	2.8
136.07541	3.1
139.08649	17.7
151.53796	4.2
154.08559	6.0
154.09726	100.0
155.08244	3.6
158.55391	3.2
160.54210	20.9
173.33835	3.7
176.07712	3.1
181.43512	3.3
182.05794	5.3
183.08531	24.0
183.11282	15.4
191.80862	3.0
200.06932	14.9
200.10323	55.5
200.12277	4.9
200.14069	12.2
200.51691	3.0
218.08717	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	202.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	0.3
61.01144	5.7
69.35576	0.4
70.06526	0.4
71.06379	0.3
71.15368	0.3
84.04486	0.4
92.15225	0.4
93.06999	0.4
101.00870	2.1
110.09613	0.4
119.00137	0.6
119.01891	10.2
120.08082	5.2
137.00182	0.6
137.01173	12.9
137.02917	2.4
138.01300	0.7
138.09111	0.9
142.03456	0.9
142.08578	1.7
145.98813	0.6
151.99890	0.4
155.02217	4.9
156.06535	0.6
156.10135	0.5
161.01137	10.3
161.02679	0.6
163.99864	13.4
166.08636	2.3
174.09137	2.3
179.02199	100.0
182.00975	3.0
184.09677	8.2
197.03258	15.6
202.03865	2.1
202.10648	6.7
202.12271	5.2
202.14166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01705	0.1
51.82655	0.1
54.71275	0.1
65.87141	0.1
71.86503	0.2
78.05973	0.1
82.99844	0.9
94.48156	0.2
100.37555	0.1
101.00854	23.9
102.87009	0.2
119.01885	100.0
121.02326	0.3
124.02402	6.6
137.02922	21.7
137.60266	0.2
142.03464	52.0
143.01855	1.5
143.03612	0.2
160.03189	0.2
160.04507	11.1
161.02905	42.9
163.99843	0.2
165.04990	0.6
179.03949	43.4
184.04512	2.0
202.05513	1.4
202.12225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.6
57.07054	11.8
60.08142	3.4
61.71848	1.6
62.05082	1.7
67.05504	2.4
69.07040	8.3
70.02929	9.0
70.06562	4.5
72.04501	20.4
72.08113	1.7
73.02908	20.9
74.02453	1.6
80.91262	1.8
81.66576	1.9
84.08141	2.3
85.06511	7.9
86.09689	8.6
87.06811	2.2
88.03961	2.3
90.05511	2.2
95.04945	13.4
98.02402	32.5
100.03954	13.6
100.07561	3.9
100.11238	2.9
103.07574	1.8
112.07594	2.3
113.05958	3.6
116.03419	26.8
119.01865	3.6
119.47267	2.3
124.07561	26.5
125.02328	2.6
126.61054	2.0
128.14305	2.1
142.08606	34.0
142.15871	11.2
156.04333	1.9
156.10107	2.9
156.13815	46.6
160.09657	11.6
166.08557	4.0
174.05432	14.4
174.09032	4.7
179.02217	3.7
184.09599	37.3
184.20569	11.5
197.31218	1.9
202.04965	2.0
202.08699	3.2
202.10680	100.0
202.12288	18.6
202.14371	8.8
202.21599	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	202.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05514	1.4
55.61495	0.8
57.07068	1.5
58.06582	1.1
60.04531	0.9
60.08157	4.7
60.60089	0.8
63.24550	0.9
64.59412	0.7
68.05037	1.5
69.07038	1.0
70.02914	0.7
70.06593	6.2
72.04494	1.7
72.08135	1.2
82.06556	3.8
82.17892	0.9
84.04520	3.0
84.08127	1.0
86.06059	1.4
86.09709	6.3
87.06831	4.0
88.03989	0.9
88.07610	3.6
95.04967	1.5
96.04475	1.8
96.08100	1.0
97.02879	3.5
98.02407	1.7
98.06046	1.1
100.07621	7.2
100.11245	10.1
109.06506	1.0
112.03907	1.0
114.05503	4.5
114.09148	1.3
116.03488	1.2
116.07104	0.9
119.01905	5.3
119.96796	0.9
124.07612	1.2
125.02322	4.8
128.07036	1.0
128.14305	4.4
130.15904	3.3
132.06573	1.2
137.02954	1.3
138.09140	1.1
138.12776	6.1
142.03485	3.4
142.04955	1.7
142.08627	4.0
142.15906	12.7
143.03392	1.6
156.04475	2.1
156.06563	1.0
156.10225	1.4
156.13824	100.0
166.08577	1.8
174.05498	8.6
174.09126	4.8
174.11351	1.1
178.98132	1.6
179.02194	5.0
179.03854	1.7
184.09650	10.5
184.20567	11.9
202.04965	1.4
202.06998	1.2
202.10709	56.4
202.12317	14.0
202.14378	14.2
202.21635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0699
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
55.01866	100.0
58.14968	2.0
69.07065	3.6
81.07077	2.8
83.08553	2.2
85.71184	2.1
91.05437	9.0
93.07025	2.6
105.07004	4.3
109.10086	3.5
115.05443	3.9
119.08520	5.0
120.96484	2.9
121.10151	2.8
131.04895	2.9
133.10109	3.8
143.08533	3.3
145.06416	2.6
147.04419	2.7
147.08044	10.7
147.11638	8.4
155.04878	2.7
157.10156	2.8
159.11757	3.0
160.05215	2.7
161.05971	2.8
162.05466	3.7
171.04350	9.0
172.05148	39.4
173.05946	3.4
175.03838	2.7
175.07526	23.0
175.09465	3.6
179.97778	4.6
180.04433	10.1
183.58351	2.8
185.05949	48.6
185.13312	3.0
188.04659	4.1
188.08411	2.6
203.06970	81.9
203.08823	3.3
203.10672	15.0
203.12578	18.6
203.14413	16.4
203.17839	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	203.0815
Annotation	alpha,beta-Didehydrotryptophan
Peak:m/z	Relative Intensity
69.03445	0.4
69.07056	1.0
70.06603	0.5
70.61582	0.4
86.09699	21.5
87.04464	0.8
97.02885	0.4
104.35960	0.4
115.03905	2.5
115.31130	0.4
120.96516	0.9
125.02337	1.0
126.72133	0.4
130.06512	19.3
135.98834	1.0
143.03387	5.2
153.01756	0.7
157.07594	100.0
159.09059	0.6
172.82281	0.4
179.97809	0.9
185.07047	5.9
203.08138	77.6
203.21945	2.1
211.88435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41276	0.2
54.37491	0.2
58.29472	0.2
67.05468	0.2
71.87931	0.2
74.00637	0.3
81.91893	0.2
86.06029	0.3
94.47104	0.2
105.07025	0.4
117.06982	0.9
119.08562	0.3
120.96465	0.5
133.10097	0.2
143.07256	0.2
143.08572	0.3
143.16208	0.3
144.08061	100.0
145.10120	0.3
154.96863	0.2
156.96252	0.2
161.09534	0.3
162.05418	0.9
174.09081	0.2
175.07521	0.5
179.97816	0.4
185.20865	0.5
186.09105	2.8
191.81290	0.3
203.06999	1.2
203.10361	0.3
203.12076	1.0
203.14243	0.4
203.21964	4.7
204.46179	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	203.1389
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
50.48028	0.6
50.63987	0.6
51.33030	0.5
55.05519	0.7
57.07047	0.8
59.25056	0.7
69.03411	0.9
69.07056	0.8
70.06578	1.1
71.04967	1.1
73.02889	0.6
81.06995	0.7
83.04964	0.9
84.08142	0.8
85.02912	0.8
86.09695	100.0
87.00818	1.5
87.04443	0.9
99.04433	4.0
104.64137	0.7
106.51694	0.7
111.04424	1.2
115.03922	1.1
116.07105	0.7
117.05514	1.1
120.96484	3.8
125.02300	0.7
132.10185	88.6
143.03423	3.3
153.01793	1.4
157.07680	1.2
157.13219	12.5
162.05486	5.7
174.05505	1.1
179.97784	1.7
182.99689	0.7
185.09958	0.7
185.12886	1.1
203.08276	1.2
203.11069	5.9
203.13898	8.7
203.22014	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	203.15
Annotation	SDMA
Peak:m/z	Relative Intensity
51.42476	0.8
52.23014	0.7
59.46692	0.7
61.90000	0.7
66.84311	0.6
70.06579	66.0
71.06107	14.3
71.54961	0.8
72.08124	4.8
73.02866	0.8
88.08738	42.1
95.79845	0.8
100.07590	3.1
102.05504	1.0
108.21933	0.7
112.08694	0.9
114.05482	0.9
115.08653	6.0
116.07067	56.6
119.01850	0.8
133.09695	4.3
133.42581	0.8
138.01320	0.8
143.01875	1.1
144.10184	16.9
158.09201	7.3
158.12866	31.3
161.02940	0.9
172.10754	4.9
173.02827	0.8
180.02385	3.3
185.38965	0.7
203.05302	1.0
203.15010	100.0
222.65694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59727	0.6
55.05503	3.1
56.05033	0.8
59.04957	0.7
60.04524	7.0
65.35035	0.7
68.05032	1.0
72.08148	67.4
81.07063	1.0
84.04491	3.8
85.02894	1.8
87.04459	7.1
96.04498	3.0
97.00800	1.2
97.02883	1.7
98.06036	1.3
99.08073	1.7
109.06511	4.1
114.05531	3.0
116.07079	4.1
117.09132	5.3
118.08642	23.9
121.00778	5.7
121.96625	9.9
126.05496	5.9
127.07521	3.0
138.05481	2.9
139.01822	8.2
140.10722	3.1
144.06525	1.6
145.00691	0.8
158.11734	23.1
162.03378	8.4
163.01797	95.4
180.04436	10.1
181.02858	100.0
186.03419	10.3
186.11288	1.2
204.04532	3.6
204.06740	1.0
204.08638	5.1
204.12306	1.8
204.13872	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	205.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.2
54.85213	0.1
55.01863	0.2
56.96561	0.7
57.07068	30.7
57.72159	0.2
61.56431	0.2
63.92933	1.6
65.03923	1.7
78.95262	7.7
81.93996	0.2
86.42460	0.2
93.03371	0.4
96.96270	0.9
97.02862	0.2
97.99160	0.2
109.02843	0.2
109.10148	0.3
111.04401	0.3
113.96379	0.3
119.97860	17.8
121.02837	6.2
121.03943	0.8
121.95746	0.2
122.94184	4.6
123.11616	0.3
133.52896	1.1
135.11638	0.3
136.03172	0.3
140.02991	0.7
140.95203	5.1
149.02309	100.0
149.13219	0.4
158.96260	6.6
158.97469	0.4
159.00757	0.2
160.55707	0.2
163.96803	21.4
167.03352	0.9
181.97864	15.8
182.03975	0.8
199.04460	0.2
204.99472	2.3
205.14113	0.8
205.19513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0967
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
59.28039	0.3
65.81897	0.3
72.56301	0.3
74.02422	1.7
77.65613	0.3
77.66107	0.3
81.21180	0.3
102.93495	0.3
111.18147	0.3
115.05404	0.5
117.06976	0.5
118.06502	11.3
130.06488	1.8
132.08040	6.7
142.06470	2.1
143.07236	1.8
144.04425	0.6
144.08043	17.5
146.05968	100.0
159.09122	10.1
160.07500	1.5
170.05923	6.5
188.07008	87.6
205.09590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.118
Annotation	CHEBI:85894
Peak:m/z	Relative Intensity
51.64753	0.5
55.05510	5.1
56.05014	2.1
58.06596	4.0
60.04519	4.7
70.06559	1.1
72.04488	0.6
72.08134	11.6
73.06537	0.6
74.02428	21.9
74.06061	0.8
76.07630	7.4
82.06567	84.0
83.13495	0.5
84.04495	5.5
84.08127	30.9
85.02892	1.0
85.98219	0.5
87.05592	0.8
88.03956	0.7
97.02850	0.9
98.06066	0.6
99.09200	9.6
100.07603	12.8
110.06030	1.0
114.09131	2.8
116.07043	4.3
118.08660	0.9
118.76517	0.6
119.97863	1.3
120.00470	0.5
123.09163	14.5
124.07561	23.2
128.07051	74.7
130.04968	2.6
130.08606	17.0
139.05832	2.6
141.10202	100.0
142.07513	1.3
142.08606	35.7
142.12268	0.6
145.09680	8.0
146.08083	7.5
149.02274	0.7
156.33179	0.6
159.08502	0.7
159.11250	1.3
160.13225	0.9
163.96783	1.2
164.03452	0.6
170.08078	29.1
181.97884	1.4
187.10735	62.7
188.09171	3.1
205.06842	0.8
205.11720	6.1
205.13501	0.7
205.15419	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	205.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31768	0.9
55.05490	1.7
57.04313	1.0
57.07064	1.8
63.92928	1.3
68.88342	1.2
69.03413	12.1
71.04984	2.7
78.95255	7.7
79.05481	2.2
81.07034	2.9
83.04959	1.7
85.02888	2.4
91.05486	4.3
92.17422	1.7
93.07017	9.8
95.04956	5.9
95.08586	2.1
95.10615	1.1
97.02881	2.3
97.06544	1.5
103.05463	1.2
105.07003	7.9
107.04964	1.9
107.08601	10.2
109.02904	2.4
109.06499	45.2
115.03908	1.1
117.06986	6.7
119.08565	15.1
119.97869	17.5
121.06470	18.6
121.10130	17.5
122.94202	5.1
123.08052	7.2
129.06993	1.4
130.07800	1.3
131.08559	5.6
133.10133	6.4
135.08022	6.4
135.11667	37.4
137.09602	2.0
140.95233	6.6
144.09344	9.2
145.06456	2.8
145.10112	19.3
146.63898	1.4
147.08031	11.6
149.02290	13.2
149.05965	4.6
158.96284	7.6
158.97548	3.2
159.11655	27.5
161.09592	7.3
162.10428	2.2
163.07516	1.7
163.11142	100.0
163.96790	21.7
166.53523	1.3
172.08806	1.9
172.29820	1.3
177.12701	6.6
181.97878	12.1
181.99269	1.8
187.07655	1.4
187.11179	8.1
205.08347	1.9
205.12187	30.0
205.14005	1.4
205.15742	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	206.0445
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
55.55133	0.3
57.15517	0.3
59.23592	0.3
60.04511	0.7
60.50723	0.3
72.08140	0.4
82.06532	0.5
85.06555	0.4
95.04944	0.6
104.04956	2.3
106.06535	0.4
116.05312	0.4
119.01921	2.5
123.96420	0.9
124.02435	0.8
132.04439	7.0
132.84091	0.4
132.95862	0.8
134.05978	3.2
136.07561	0.7
142.03458	7.9
144.04398	0.7
147.04391	0.8
151.97672	0.8
160.03900	100.0
161.02328	0.4
162.05460	12.3
164.03387	0.4
164.97133	0.5
165.02101	0.5
174.91849	0.4
175.97649	1.5
178.04951	17.5
182.98170	0.4
188.03394	4.2
192.54033	0.4
193.98708	0.4
206.04439	21.1
206.08127	1.6
206.10030	0.6
206.11800	0.6
218.50847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
51.82771	2.3
55.05508	10.5
56.05038	12.4
58.06607	30.2
58.10992	2.4
60.04517	18.1
63.18491	2.1
67.05495	10.9
67.88552	2.2
70.06590	13.1
71.04977	15.5
72.04528	9.7
72.08144	6.4
73.02910	3.6
73.06533	4.1
74.02428	5.2
74.06076	3.9
74.24197	2.7
75.35356	2.2
76.07639	4.9
82.06583	24.6
83.04971	16.3
83.06922	18.9
84.04500	40.6
84.08138	3.7
85.02930	2.8
85.06543	36.2
88.03979	3.6
89.06058	3.3
89.44131	2.4
90.05544	42.0
92.62360	3.1
95.04971	6.5
96.08120	26.2
98.02435	5.1
100.03958	10.2
100.07606	33.7
101.06006	28.6
110.06035	15.0
113.07126	13.4
114.03754	14.7
114.05488	5.1
116.03458	5.2
119.01939	3.7
122.05996	4.9
123.04420	61.8
124.07587	43.7
124.09509	3.2
125.07935	4.8
128.07076	41.9
129.05487	4.3
129.07419	13.1
134.06061	3.3
142.03470	20.2
142.05046	4.7
142.08653	83.9
142.10570	34.4
142.12270	62.3
143.08997	11.0
146.08121	95.9
147.04396	14.6
152.07047	5.8
152.69998	3.1
159.07649	15.2
160.04263	76.0
160.09676	45.5
160.13324	24.6
162.05484	31.6
165.05516	5.4
170.08093	59.2
170.09407	4.3
171.08388	5.3
188.09169	89.8
188.11057	17.9
188.12621	32.9
196.68602	2.8
206.04723	12.9
206.10269	78.6
206.11752	3.1
206.13844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69895	0.3
51.21031	0.4
54.54322	0.4
55.54899	0.4
57.07076	3.3
57.07288	0.4
58.06575	0.5
68.05013	0.4
83.06088	0.5
91.05440	1.1
92.16842	0.5
101.00841	0.6
109.07607	0.7
109.20261	0.4
111.09173	0.7
113.96397	0.6
116.05245	0.5
118.06464	0.4
119.01899	6.9
119.04881	0.6
121.02900	0.5
122.07085	2.0
123.96445	0.6
124.02381	1.0
124.08691	0.5
130.06523	0.6
131.07275	0.8
132.04422	2.6
132.08017	0.6
136.08673	0.6
137.02904	0.9
140.09860	0.5
142.03467	16.8
146.05997	9.0
147.04376	3.1
147.06732	2.6
147.08002	2.8
148.08640	1.1
149.02315	5.1
149.08119	0.5
150.02640	10.3
150.10208	0.7
160.04514	2.9
161.04672	2.1
161.08133	0.6
163.09842	0.7
163.11098	0.6
164.09253	0.6
165.05115	0.8
165.07666	0.8
178.08580	0.7
179.52612	0.5
191.14265	100.0
206.08061	11.7
206.10054	0.8
206.11781	0.5
206.13916	1.8
206.16818	4.6
206.18579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
57.92649	1.4
60.08640	1.3
63.45614	1.2
64.92822	1.8
65.03930	3.1
65.92622	3.3
67.05494	1.5
79.05511	2.0
80.94962	38.0
83.04963	1.6
88.43189	1.4
89.90083	1.4
91.05477	55.5
92.16757	3.4
92.91766	1.5
93.07010	2.9
95.04988	6.2
95.08601	2.9
98.95978	2.0
99.04472	2.0
103.05474	1.6
105.06994	2.2
107.08624	1.8
109.06474	2.1
109.10175	1.9
115.96484	2.0
119.04935	100.0
119.08572	2.5
121.06499	5.8
121.96661	2.6
121.97569	73.7
123.04439	2.0
123.08030	2.1
123.96447	35.5
124.93880	23.9
124.96823	13.9
132.02094	2.3
133.06473	1.7
133.10199	2.6
135.91510	2.0
142.94951	22.1
143.03645	2.6
143.08554	1.9
146.06023	2.8
147.04401	84.7
147.08020	3.2
147.11679	5.4
148.05055	1.8
149.02261	1.9
149.09604	3.2
157.03967	9.6
160.96016	27.7
161.04707	2.5
161.05956	9.2
161.09610	8.5
161.13257	2.5
163.07504	2.4
163.11151	1.5
164.04680	3.3
165.09264	1.7
165.96524	88.5
169.20612	1.6
175.02371	3.1
175.03891	92.6
176.04626	1.6
179.06892	11.6
179.08217	6.3
183.97586	67.6
189.09116	10.8
189.12753	3.0
190.04991	7.4
192.04108	12.6
206.99167	2.2
207.02635	1.6
207.04564	2.2
207.06480	54.3
207.10059	5.0
207.13791	3.1
207.17386	2.2
210.77687	1.6
219.49066	1.6
225.18893	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	207.065
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.46782	0.5
54.81613	0.6
56.45612	0.7
56.83453	0.7
58.06591	1.6
63.07789	0.6
65.03934	1.3
65.06974	0.6
65.64716	0.7
66.30434	0.7
72.90368	0.6
77.03913	0.8
79.44169	0.6
86.85559	0.7
89.03898	1.6
91.05469	53.8
115.63600	0.7
118.04130	1.0
119.04923	100.0
123.11755	0.8
131.04878	0.8
132.02043	4.8
136.05164	1.6
145.02849	1.7
146.03635	0.9
147.04387	81.4
149.02286	3.7
157.03941	11.7
158.70651	0.9
164.04671	5.7
174.03142	0.8
175.03877	97.9
179.06985	12.0
192.04144	6.4
207.06499	36.4
222.17570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0649
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
54.67128	0.9
65.03915	1.7
80.94946	1.3
91.05466	45.7
92.17393	1.9
103.05478	1.6
109.06505	1.6
119.04924	100.0
121.97549	2.0
123.08088	1.1
132.02083	4.3
136.05148	1.8
137.98927	1.0
145.02844	1.7
146.03561	1.2
147.04387	84.7
149.02319	2.4
149.09642	1.9
157.03999	8.8
159.69992	1.0
160.01486	1.3
160.95937	1.5
163.03886	1.5
164.04645	4.9
165.96481	5.0
172.54137	0.9
174.03120	1.6
175.03879	95.2
179.06953	10.6
183.97595	2.1
191.03419	1.6
192.04205	12.3
207.06496	84.0
207.13867	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	207.1012
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
51.00325	1.4
51.61612	1.4
53.19164	1.3
53.77557	1.3
54.82748	1.3
55.01856	2.4
55.05490	1.8
57.07061	2.1
65.92620	1.5
67.05504	12.0
69.03404	2.6
69.07054	1.7
71.04963	3.1
79.05477	2.8
80.94948	9.4
81.07034	7.7
83.04956	10.9
85.52486	1.6
87.02666	1.8
89.03888	1.5
91.05450	53.8
93.07005	14.8
95.04929	26.9
95.08569	13.5
102.25681	1.6
103.05436	2.5
105.03319	2.9
105.06998	18.4
107.04949	3.8
107.08540	12.2
109.06487	4.2
109.10139	3.0
113.05991	2.2
115.02117	14.1
115.96416	2.5
117.07004	6.3
118.04089	1.6
119.04903	78.4
119.08540	21.6
120.08036	2.2
121.06471	8.1
121.10104	7.7
121.97543	26.6
123.04391	72.6
123.05241	3.2
123.08001	9.0
123.11668	4.0
124.93876	7.9
125.05990	2.3
125.59272	1.6
129.06921	7.5
130.07733	1.9
131.04881	3.2
131.08534	6.3
133.06454	3.5
133.10097	28.7
135.08060	2.9
135.11673	2.3
137.09578	8.3
137.10626	2.0
142.94933	7.8
143.03745	2.1
143.08508	2.3
145.10075	9.3
146.03572	2.4
146.07213	6.8
147.04364	73.0
147.07990	8.7
147.11673	8.1
148.05225	2.7
149.05893	2.1
149.09540	24.1
151.04005	2.4
151.07515	2.8
151.11151	2.8
157.03923	3.2
158.83377	1.6
160.95958	11.3
161.05920	100.0
161.07094	9.9
161.09557	62.8
161.13184	3.0
162.03084	1.9
163.08591	12.4
163.11099	7.0
164.04657	2.7
165.09082	3.3
165.12625	3.1
165.96516	34.9
171.11613	2.8
174.03047	3.2
174.06705	2.5
175.03851	70.8
177.05389	13.2
179.06990	11.2
179.10622	10.8
183.97519	23.5
189.06619	38.7
189.09030	56.8
189.12672	3.9
190.04947	11.2
192.04112	18.9
206.98936	2.7
207.02911	2.1
207.06441	58.3
207.08218	2.4
207.10071	35.9
207.13745	24.0
207.17386	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	207.1012
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
50.73465	0.2
56.76581	0.2
67.05541	1.2
69.03465	1.4
69.07095	0.6
73.06583	0.4
76.73722	0.3
79.05500	0.4
80.50929	0.3
80.94997	1.8
81.07099	1.3
83.05004	0.3
91.05452	8.8
93.07069	1.5
95.05000	1.3
95.08637	1.9
103.05502	1.3
105.06976	2.2
107.04985	0.6
107.08616	1.5
109.06535	1.9
109.10153	0.6
112.20470	0.3
115.96457	1.5
117.06969	3.5
118.04202	0.5
119.04904	15.3
119.05757	0.5
119.08547	2.6
120.08100	0.3
121.02849	0.3
121.06522	1.3
121.10152	1.5
121.97531	4.0
122.06814	0.3
123.04395	2.1
123.08089	1.7
124.93887	1.4
128.06190	4.2
129.06966	40.1
130.07816	0.3
131.04901	2.4
131.08517	3.3
133.06464	1.2
133.10075	3.8
136.05174	0.4
137.05988	1.3
137.09618	1.1
142.03606	0.3
142.94897	1.1
143.08543	1.3
145.06435	9.2
146.03670	1.3
146.07243	2.0
147.04370	17.4
147.05527	0.6
147.08052	1.9
147.11674	2.0
148.05150	0.4
149.02353	0.5
149.09573	4.3
151.07487	1.4
155.06003	0.5
156.09369	0.4
157.03893	1.7
157.06439	47.2
158.07187	5.0
160.95937	1.8
161.05925	10.1
161.09550	5.7
161.13213	2.0
162.06734	0.5
163.07484	2.3
164.04572	2.1
165.09093	0.5
165.96471	5.7
166.04947	0.4
174.06711	32.0
175.03850	15.2
175.07626	0.4
176.08257	0.7
177.09053	4.4
179.06976	3.8
183.97531	4.1
189.09048	100.0
190.04939	1.3
192.04129	4.3
207.06444	14.1
207.08231	0.6
207.10034	5.1
207.13728	4.6
207.17213	0.6
213.70915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05502	1.2
55.67824	0.6
57.07054	3.8
58.06581	0.5
59.04985	0.6
65.03925	0.6
67.05490	13.6
69.03413	2.9
69.07043	2.5
71.04971	1.2
79.05485	2.3
80.94945	0.7
81.07031	3.0
81.63952	0.6
83.04967	3.6
85.06525	11.5
91.05460	5.0
93.07029	7.7
95.04947	4.1
95.08586	100.0
99.04416	0.8
105.07016	8.4
107.08575	16.4
109.06518	5.2
109.10120	2.9
111.07991	0.6
113.05979	6.0
119.04906	5.7
119.08553	17.4
120.09382	0.9
120.13186	0.6
121.06495	2.7
121.10117	11.5
123.08035	51.5
123.11665	4.0
125.09622	0.7
131.08546	3.3
133.06453	0.7
133.10109	3.0
135.08037	1.2
135.11661	6.3
137.09578	3.4
137.13210	2.4
145.10103	1.4
147.04393	9.4
147.08060	3.4
147.11644	12.0
148.10989	0.6
149.09579	31.9
151.07483	1.4
151.14818	3.0
161.05995	1.1
161.09552	2.9
161.13213	14.9
163.11047	2.2
164.07033	0.9
165.12703	9.9
165.96475	1.1
171.11649	2.9
174.10397	2.8
175.03894	5.5
179.07025	0.8
179.14319	1.3
189.11028	0.6
189.12698	18.0
192.04099	0.7
199.79150	0.6
207.06491	4.1
207.13739	27.4
207.15547	1.0
213.35938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05494	1.1
57.07067	4.5
59.05007	1.3
59.79947	0.9
65.03931	1.1
67.05496	14.5
69.03413	2.4
69.07074	1.0
79.05479	4.2
80.94959	1.6
81.07053	4.1
83.04961	2.2
85.06542	10.8
87.51604	1.0
91.05465	23.3
93.07025	7.1
95.04945	4.8
95.08588	100.0
103.05447	2.0
105.03388	7.3
105.07016	10.0
107.08562	15.3
109.06499	4.2
109.10150	2.5
113.05993	7.0
119.04916	42.6
119.08558	17.8
121.06459	2.4
121.10130	16.4
121.97571	4.3
123.08044	52.0
123.11716	4.0
129.07037	1.4
131.08534	4.0
133.06482	5.4
133.10130	4.6
135.07988	1.3
135.11650	6.1
137.09572	4.6
142.94925	1.7
143.03531	1.1
143.08501	1.5
147.04388	42.2
147.05547	1.7
147.08066	4.1
147.11696	14.8
149.09592	39.8
149.10788	1.5
151.07562	4.3
151.14813	1.9
157.03873	2.6
160.95993	1.6
161.05968	4.2
161.09659	1.6
161.13202	15.7
163.11078	1.6
164.04668	1.4
165.09177	1.4
165.12679	9.3
165.96510	7.3
171.11586	4.1
174.06812	1.2
174.10388	1.6
175.03880	36.9
179.07014	7.0
179.14217	2.2
183.97601	2.2
189.05453	1.5
189.09117	2.7
189.12718	17.1
190.05003	1.7
192.04152	5.8
207.06461	29.0
207.08191	1.8
207.13734	23.0
207.15425	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
54.18253	1.2
54.37094	1.4
55.05508	2.7
55.78114	1.4
58.06602	1.8
59.05003	1.9
59.80993	1.4
65.92627	1.6
67.05496	3.2
69.03420	15.0
71.04623	3.1
71.04984	65.0
79.05502	1.8
80.94960	9.5
81.07055	3.2
81.79223	1.5
83.04982	6.2
85.02882	6.8
85.06532	3.3
86.29240	1.7
91.05477	31.5
93.07041	6.6
95.04947	9.1
95.08583	9.3
98.96015	1.8
99.04459	2.6
105.07040	10.3
107.08584	14.1
109.06497	20.6
109.10157	7.8
110.07244	2.1
115.96451	9.5
119.01949	1.5
119.04932	48.4
119.08540	11.3
121.06513	10.6
121.10126	11.4
121.97546	28.8
123.04404	3.5
123.08042	23.5
123.11704	3.1
124.93883	7.3
125.09686	1.6
131.04976	1.8
131.08525	2.0
132.02092	1.8
133.06485	7.3
133.10097	5.9
133.97466	3.0
135.08081	1.5
135.11603	1.7
136.05182	3.0
137.05984	3.3
137.09604	100.0
142.03543	2.0
142.94925	6.0
143.03635	2.7
145.10080	1.9
146.03618	3.8
147.04401	50.8
147.05478	2.4
147.08023	6.5
147.11676	9.8
149.02347	7.2
149.05956	1.9
149.09596	48.9
151.07536	11.0
156.09311	1.8
157.03940	2.0
157.06403	1.8
160.95927	10.6
161.09654	2.8
161.13255	2.7
163.11137	21.6
164.04660	14.8
165.12691	15.4
165.96519	32.5
171.11661	3.0
174.03084	6.6
175.03882	41.4
177.05421	1.9
177.31090	1.6
179.07001	18.3
179.14381	1.7
183.97612	22.5
189.09196	3.3
189.12671	11.6
192.04155	16.9
206.99193	2.2
207.06503	64.9
207.08406	2.2
207.13757	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	209.0806
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
52.48025	1.0
55.01875	83.7
57.03434	1.3
57.39443	1.1
63.78033	1.2
65.03961	1.5
69.07031	1.4
75.04476	1.7
79.05464	1.9
79.25810	1.2
82.94839	1.8
83.76490	1.2
87.51336	1.3
89.03909	2.7
91.05489	14.5
92.06265	1.2
93.03407	3.2
93.07042	18.4
95.04951	5.6
103.05460	23.6
105.07019	1.9
106.04182	12.1
107.04965	11.0
110.23969	1.2
111.04364	1.8
117.03360	12.7
118.04128	3.3
119.04937	6.1
120.05711	2.2
121.06487	43.5
123.97431	6.3
125.05959	6.0
126.93722	1.9
131.04941	21.6
134.03581	5.7
135.04398	5.4
144.94751	1.3
145.02838	41.1
147.04384	8.7
148.05115	10.3
149.05962	64.9
150.28571	1.3
151.11237	1.6
153.05461	16.2
153.09045	5.0
159.04391	6.6
163.03928	4.9
163.07529	13.6
164.04678	1.8
166.06252	9.6
167.96382	8.4
169.61301	1.4
176.04614	5.7
177.05447	100.0
181.08609	12.6
185.97449	5.6
191.07034	41.9
191.14183	1.9
194.05736	3.0
209.08058	69.9
209.15543	1.5
209.19217	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	209.0919
Annotation	Formyl-5-hydroxykynurenamine
Peak:m/z	Relative Intensity
55.01859	0.4
55.12104	0.3
57.50885	0.3
59.04984	0.4
61.56340	0.3
67.05513	0.4
69.07049	0.4
70.06569	0.7
79.05477	0.4
82.94830	3.3
83.08560	0.3
87.04435	1.2
88.07610	0.6
89.06019	0.6
91.05443	0.4
93.06999	0.4
94.06551	2.9
95.08546	0.3
96.08148	0.3
99.04462	0.4
103.03945	0.6
103.09332	0.3
107.04944	0.4
107.08630	0.4
107.74459	0.3
118.06601	0.3
120.04446	0.5
120.05628	0.4
121.06493	0.6
122.06014	4.1
123.06776	0.5
123.97421	6.3
126.93756	1.9
132.04437	0.6
136.07631	0.9
140.03413	1.8
144.94786	2.1
144.95827	0.5
144.98305	0.3
146.05995	2.0
148.07553	0.5
149.06013	0.8
149.07086	1.7
149.96109	0.4
150.05481	100.0
162.05457	0.7
162.95863	2.8
163.05844	7.3
163.07274	0.6
163.09741	0.3
167.06998	0.5
167.96365	7.4
168.06644	0.4
174.05508	0.6
176.05739	0.7
185.97475	5.1
190.98622	0.6
191.05441	0.4
191.08163	7.0
192.06493	0.7
209.09196	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	209.1169
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.84799	1.3
53.03924	1.8
55.01865	18.9
55.05500	13.6
59.04985	3.1
64.05144	1.4
65.03925	8.4
67.05486	7.1
69.03412	45.6
69.07037	4.1
71.04964	9.2
75.04459	8.3
78.04671	3.3
79.05482	15.2
81.03384	2.8
81.07040	12.0
82.94801	7.7
83.04970	24.4
83.08598	9.3
85.02882	4.1
85.06532	1.9
89.03928	1.8
91.05455	28.3
93.03384	23.4
93.07023	26.6
95.04945	19.4
95.08561	12.0
97.02862	18.1
97.06516	11.0
98.98464	6.1
99.04436	22.4
99.08089	1.9
103.05448	14.6
105.04460	2.0
105.07012	8.0
106.04153	49.0
107.04931	17.6
107.08604	17.6
109.06490	37.5
109.10136	6.9
110.07272	11.5
110.70699	1.8
111.04414	7.9
111.08060	9.1
117.03339	2.2
119.04909	6.7
119.08571	4.0
121.02834	8.2
121.06474	84.5
121.10106	18.7
123.04372	2.0
123.08031	11.1
123.11622	2.5
123.97421	14.3
124.05165	2.4
125.02338	22.3
125.05143	1.8
125.05939	17.8
125.09583	3.0
126.93712	3.1
130.56779	1.7
131.04854	13.3
131.08536	7.4
133.10078	10.2
134.03615	11.7
135.04404	9.1
135.08031	10.1
135.11633	7.4
137.05975	3.4
137.09576	20.4
139.03883	8.4
139.07515	3.9
139.11221	2.0
144.94794	7.9
145.02817	10.4
145.10100	8.6
147.04378	2.5
147.11653	2.0
148.05156	3.4
149.05943	100.0
149.09563	15.6
149.13159	2.3
151.07532	14.6
151.11160	14.4
152.99188	1.8
153.05429	15.5
153.09087	26.4
154.39481	2.0
159.04391	10.4
162.95813	6.2
163.03882	2.5
163.07549	12.0
163.11124	19.2
166.06229	3.2
167.07011	9.8
167.10652	2.4
167.14288	9.0
167.96338	22.4
173.09529	3.8
173.13162	3.3
177.05431	76.0
181.08549	14.5
182.61024	1.8
185.97453	11.7
191.06985	11.1
191.10612	18.1
191.14230	2.7
194.05522	2.0
209.08086	30.0
209.09573	2.6
209.11656	62.5
209.13509	4.2
209.15016	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	209.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13883	0.4
51.13482	0.4
52.41826	0.4
55.01863	3.1
59.04962	0.5
72.48695	0.5
78.03421	0.8
79.05492	0.9
82.94839	5.6
84.04534	0.6
87.04460	0.9
89.05983	0.5
95.04949	0.6
95.08589	1.0
100.95863	0.5
103.03936	1.3
103.17668	0.5
106.02901	14.4
107.04943	0.6
110.05334	1.0
110.06030	17.7
118.06515	2.4
121.10120	0.8
122.06009	17.8
123.97424	9.6
126.93748	2.7
131.04919	0.6
134.06000	3.1
136.07552	0.9
144.94777	3.4
146.05992	11.8
149.01173	0.7
149.05980	0.6
149.96075	0.5
150.05481	100.0
152.07040	50.4
152.08298	1.2
162.05511	3.1
162.95752	4.2
163.05800	0.6
163.08607	0.8
164.07033	32.6
167.96367	11.3
174.05463	1.0
177.05426	1.2
180.06508	5.8
185.97408	5.9
191.08157	0.6
192.06557	10.6
209.09406	7.3
209.12830	17.3
214.46880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26896	0.9
55.01862	2.5
55.05511	20.5
56.96541	1.7
57.03427	0.9
57.07069	1.1
67.05494	1.0
67.92501	8.8
68.19760	1.1
69.03429	1.5
69.07059	2.0
79.05458	1.4
81.07065	2.4
82.94836	38.0
83.04970	28.1
83.08606	19.6
85.06486	1.1
85.93536	1.7
91.05464	1.6
93.07024	4.2
95.04951	6.6
95.08597	4.4
95.71348	0.9
97.06505	4.9
97.10170	1.9
100.95890	5.1
103.05473	1.3
105.07033	1.1
107.08593	8.3
108.56777	1.0
109.06503	9.5
109.10155	12.0
111.08062	5.2
121.06496	1.8
121.10106	6.6
123.08032	1.1
123.11671	5.3
123.97433	84.0
125.09601	6.8
126.93757	24.8
131.08594	1.7
133.10117	6.5
144.94797	24.5
149.05974	4.7
149.09610	2.3
149.13243	4.4
151.11159	17.8
153.05325	1.2
153.09135	1.5
162.95842	31.7
163.11156	1.6
167.14267	27.8
167.96376	100.0
173.13213	1.6
177.05490	4.4
181.05028	1.4
185.97438	72.1
191.06950	2.1
191.14313	1.3
200.63887	1.0
208.98982	1.8
209.04407	1.0
209.07933	5.3
209.15291	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.17438	1.6
52.91520	1.6
55.01860	10.7
55.05248	3.2
55.05507	92.4
55.05774	3.1
57.03411	2.6
59.04991	4.1
60.09965	1.8
64.75840	1.9
65.45794	1.8
67.05491	11.8
69.03413	9.3
69.07042	7.8
71.04984	8.8
75.04455	2.7
79.05476	9.6
81.07039	19.0
82.94817	3.2
83.04969	100.0
83.08604	63.5
85.02886	7.6
85.06508	8.9
86.76038	1.9
91.05460	15.8
93.03395	2.3
93.07017	27.0
95.04945	29.0
95.08603	17.9
95.68962	1.6
96.08127	2.3
97.06514	22.4
97.10144	12.6
99.04417	9.1
99.08073	7.9
103.05451	4.4
105.07002	9.3
106.04167	14.9
107.04949	3.4
107.08572	44.2
109.06496	35.9
109.10128	48.6
111.04392	4.0
111.08064	21.4
117.06947	1.8
119.08540	4.0
120.49729	2.0
121.06483	29.7
121.10131	22.6
123.08041	11.5
123.11672	18.4
123.97429	14.6
125.05988	8.0
125.09573	20.6
127.91201	1.9
128.53535	2.2
131.08513	13.1
133.10109	52.9
135.08044	20.4
135.11638	2.4
137.05949	3.3
137.09586	3.0
144.94856	3.3
145.10071	9.6
147.11678	2.6
148.05032	2.5
148.31580	2.0
149.05937	31.5
149.09589	4.5
149.13211	21.1
151.11148	72.5
153.05418	2.7
153.09038	23.3
162.95862	3.5
163.06201	1.7
163.07520	9.0
163.11125	3.2
163.14749	2.9
167.07077	2.0
167.14272	94.5
167.96320	19.3
173.13234	25.1
177.05426	17.0
178.65916	2.2
181.08577	4.6
185.97478	11.6
191.06992	3.2
191.10654	2.5
191.14232	20.5
199.16713	2.1
209.06284	2.6
209.08005	14.1
209.11632	3.7
209.13408	3.4
209.15282	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.78824	0.2
52.92443	0.3
55.01860	2.2
55.05500	1.3
57.07054	1.2
59.04984	1.6
62.19957	0.3
63.48299	0.3
65.03931	0.5
67.05488	2.1
69.03423	2.4
69.07055	3.8
71.04982	5.6
75.04455	0.6
78.04700	0.3
79.05473	1.8
81.07045	4.7
82.94839	0.4
83.04968	5.5
83.08602	1.7
85.02880	0.6
85.06500	0.6
89.03905	1.4
91.05484	3.2
93.03397	2.3
93.07022	4.5
95.04951	4.4
95.08595	7.8
97.06505	3.4
99.04446	0.7
99.08067	1.5
103.05463	2.2
105.07038	1.4
106.04169	6.9
107.04951	0.6
107.08584	15.6
109.06510	2.7
109.10145	10.1
111.04414	0.6
111.08060	1.8
111.57594	0.3
113.05984	0.5
117.03352	4.0
119.08580	0.7
121.06488	11.3
121.10124	9.2
123.08020	1.9
123.11684	1.6
123.97437	1.8
125.05956	2.3
125.09602	5.9
131.04878	0.4
131.08531	2.2
133.10107	4.5
134.03603	1.4
135.04407	0.5
135.08037	7.5
135.11694	2.0
137.05957	0.4
139.07552	0.6
139.11174	4.0
145.02827	19.0
145.10098	1.6
147.11674	4.1
148.05190	0.4
148.08798	0.6
149.04944	0.4
149.05952	13.0
149.09581	5.4
149.13243	5.3
151.11157	100.0
153.05470	0.4
153.09065	2.4
163.03918	1.5
163.07501	0.7
163.11092	0.7
163.14803	5.5
166.06166	0.4
167.07001	0.7
167.08351	0.3
167.14235	1.3
167.96365	2.6
173.13240	5.2
177.05441	29.8
181.08571	2.3
185.97414	1.4
191.06999	0.7
191.10641	1.4
191.14275	56.5
209.04381	0.4
209.08008	4.1
209.09793	0.5
209.11653	0.6
209.13460	0.5
209.15300	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	209.9562
Annotation	Unknow
Peak:m/z	Relative Intensity
88.75819	4.1
92.67793	4.2
94.92980	75.0
138.53001	5.9
149.44534	3.6
162.36134	4.2
166.54277	6.2
168.96791	6.4
172.19292	4.0
187.94408	4.7
192.92987	25.3
205.06754	4.9
207.44139	4.3
209.95589	100.0
209.97440	11.6
215.88123	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	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.05512	0.2
57.03207	0.2
57.03436	2.8
60.56914	0.2
65.03909	0.4
67.05499	0.3
69.03404	0.3
70.06573	0.7
71.04983	0.4
75.04476	1.5
81.03429	0.3
81.07043	0.4
82.91738	0.2
83.08633	0.2
85.06532	0.2
87.04456	0.2
91.05466	100.0
93.07020	0.3
95.04910	0.6
95.08592	0.4
97.06506	0.2
99.04465	0.3
99.22726	0.2
105.07025	0.8
107.08607	0.3
109.06516	0.8
109.10061	0.3
113.87050	0.2
119.08550	0.8
123.04436	0.4
123.08047	0.3
125.09595	1.0
133.02829	0.4
133.06511	0.2
133.10127	0.3
135.08101	0.2
135.11646	0.2
137.05968	2.9
137.09608	0.2
147.07957	0.2
147.11699	0.4
149.05972	0.4
151.03860	1.5
151.07571	0.2
151.11200	0.3
159.22255	0.2
164.97914	0.2
165.05440	2.2
165.09030	0.2
167.07045	1.9
175.11148	0.3
175.14931	0.2
179.07042	0.3
183.14981	0.2
193.04790	0.2
193.08563	6.3
193.10268	0.3
193.12177	0.7
211.14587	1.4
216.98195	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	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
55.05507	1.1
57.25303	0.7
59.96187	0.7
61.01146	1.2
61.66566	0.6
62.41078	0.7
67.05497	1.0
70.06596	0.9
72.08153	7.6
79.05486	0.9
81.07059	1.7
91.05467	6.7
93.06999	7.0
95.04930	3.2
95.08585	1.5
95.39125	0.8
103.05463	3.9
103.73220	0.7
105.03371	1.1
105.07018	3.9
107.04915	1.0
109.06520	1.6
112.53256	0.8
119.04924	1.0
119.08533	1.2
120.08109	0.9
121.02806	1.6
121.06488	18.5
123.04414	3.9
132.95784	1.4
133.06470	4.1
137.05988	1.8
148.97186	1.7
149.05956	32.9
151.03893	4.3
151.07492	1.5
152.04648	2.0
160.38651	0.9
161.05974	4.6
163.97684	1.0
164.97733	1.6
165.05385	1.0
165.09001	0.9
166.06271	5.7
167.07001	100.0
181.08562	30.4
193.00529	0.9
193.04886	0.8
193.08553	1.8
211.06020	0.9
211.09544	3.5
211.11418	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	211.1325
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03952	1.7
53.78889	1.5
54.64255	2.0
55.05500	7.8
56.96544	1.7
57.07059	2.0
58.46438	1.4
67.05490	3.6
68.10605	1.7
69.03419	32.3
69.07053	24.7
71.04961	3.7
79.05473	2.3
81.03388	2.9
81.07040	38.2
83.04967	84.0
83.08591	3.8
83.94006	1.9
84.87119	1.8
84.94858	2.3
85.06524	45.5
93.07021	7.5
95.04944	8.1
95.08606	12.9
97.06512	58.5
99.04417	11.6
105.07008	10.3
107.08581	17.4
109.06499	100.0
109.10146	11.7
111.04401	2.5
111.08035	19.9
113.06023	3.6
115.07536	1.9
119.08556	3.5
121.10115	7.1
123.04420	18.2
123.08044	21.0
125.09577	2.7
125.97462	6.8
127.03858	2.1
127.07533	61.3
127.08430	3.5
128.95113	3.0
133.06456	3.6
133.10106	10.4
135.08023	8.7
137.05981	12.3
137.09647	3.2
141.05377	2.2
141.08997	2.7
147.11617	13.4
149.05943	2.3
149.09550	2.6
151.03874	2.0
151.07484	14.7
151.11174	30.3
155.07010	16.1
164.97687	3.1
165.09099	4.2
165.12730	31.8
167.07016	8.8
169.96487	9.7
175.11101	8.3
179.07001	50.1
193.08575	7.2
193.12204	63.4
211.09590	3.9
211.13220	51.5
211.15109	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03947	1.2
53.65951	0.6
55.01871	3.6
55.05514	24.5
55.05768	1.7
55.77764	0.8
57.03431	6.8
57.07060	1.3
59.04985	1.1
67.05500	21.8
69.03424	8.3
69.07064	10.2
71.04987	4.6
78.54436	0.8
79.05487	26.1
81.03415	100.0
81.06585	1.7
81.07050	31.6
82.70007	0.8
83.04974	48.9
83.08613	41.0
83.09089	1.9
85.06531	4.6
91.05470	28.3
93.07035	19.1
95.04962	35.6
95.05560	1.2
95.08595	15.7
97.02879	4.0
97.06509	5.6
97.10152	9.8
99.04444	3.5
99.08072	2.1
105.07030	21.3
107.04955	8.0
107.08582	9.2
109.06512	6.8
109.10168	3.8
111.04424	3.4
111.08066	12.2
117.06971	1.4
119.08578	19.6
121.06480	1.3
121.10122	11.5
123.08047	4.3
123.11701	1.4
125.09580	1.9
126.84818	0.9
128.95052	1.5
129.06999	10.0
131.08548	13.0
133.06488	4.1
133.10114	13.6
135.11652	1.1
137.05972	5.6
137.09547	1.9
142.07738	1.8
145.10110	1.0
147.08058	3.9
147.11661	17.4
149.09639	7.4
151.03937	1.4
151.11235	1.3
153.09175	1.0
157.10118	17.2
165.12735	2.1
169.10059	1.1
170.09604	1.4
175.11162	21.6
175.14861	1.2
179.06923	5.8
182.15663	0.9
183.22559	0.8
193.12219	51.8
211.13232	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	211.1328
Annotation	6-Acetoxy-trans-pinocarveol
Peak:m/z	Relative Intensity
54.70278	0.3
55.05514	0.6
57.07068	0.3
59.04986	0.4
67.05488	1.7
69.03427	0.5
69.07055	1.4
70.06579	2.3
71.04989	14.2
71.08565	0.3
77.91582	0.4
79.05481	0.8
81.03407	0.7
81.07040	3.6
83.04980	1.8
83.08601	0.5
85.06526	0.6
91.05447	1.3
93.07030	8.1
95.04956	31.0
95.08603	3.3
97.06512	0.6
99.04448	100.0
99.10426	0.3
105.07018	2.3
107.08608	3.4
109.06509	20.3
109.10140	3.5
111.04436	0.7
111.08070	2.9
113.06055	0.4
119.08540	0.5
121.06499	0.6
123.04455	0.4
123.08070	2.0
123.11683	0.5
125.09630	1.5
127.07565	0.7
133.10132	6.2
135.08057	12.6
135.11684	0.5
137.05948	1.5
137.09673	0.4
147.11641	0.7
149.05966	1.3
149.09592	0.6
151.03903	0.5
151.07579	0.8
151.11174	8.8
153.09087	9.2
157.10178	0.5
164.97816	0.8
165.05521	0.4
165.09122	0.6
165.12706	0.5
167.07045	2.8
169.12222	20.7
170.38237	0.3
175.11145	3.6
175.14833	0.5
182.98831	0.4
187.99443	0.4
191.12447	0.4
193.05000	2.2
193.08636	1.3
193.12178	2.9
211.13315	5.0
211.16505	0.4
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	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05508	7.7
57.03420	1.4
57.07068	1.4
67.05499	13.8
69.03418	7.1
69.07063	15.6
71.04977	6.7
79.05484	2.3
81.03436	1.4
81.07054	20.9
83.04976	11.7
83.08604	9.7
85.02893	1.2
85.06538	7.6
91.05455	4.1
93.07009	11.2
95.04959	6.4
95.08598	36.1
97.06523	5.3
97.10140	2.3
99.04436	4.9
99.08082	3.8
105.07033	7.0
107.08584	22.1
109.06503	15.8
109.10146	100.0
111.08086	2.2
113.06000	1.5
116.65770	0.9
118.04056	1.0
119.04847	1.1
119.08548	19.4
121.10151	12.1
123.04415	9.6
123.08052	14.0
123.11687	10.0
123.76862	1.0
125.09610	5.1
127.07470	1.0
128.95065	1.4
131.08522	1.2
133.06487	1.3
133.10104	22.1
133.10956	1.4
135.08047	5.5
135.11679	68.3
137.05975	1.3
137.09598	19.7
139.11125	2.2
147.11667	4.6
149.05951	1.1
149.13246	6.4
151.07513	6.8
151.11156	13.2
151.14795	10.9
153.09082	2.1
153.12747	4.5
164.97722	1.8
165.12694	1.2
167.07030	6.5
175.11215	1.6
175.14806	26.4
179.07011	29.7
182.98804	1.5
193.12213	4.2
193.15881	18.4
211.09592	5.4
211.11436	3.5
211.13193	1.3
211.16925	4.0
228.01418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0916
Annotation	CJ 14877
Peak:m/z	Relative Intensity
54.81792	2.6
55.05506	2.7
63.62149	2.9
70.06586	8.0
71.06921	4.0
79.05498	3.3
79.49397	2.7
80.05018	16.1
81.93083	3.2
84.04522	3.8
85.99253	3.2
86.05994	3.2
86.09673	5.1
87.04448	5.3
87.10033	3.2
88.95280	20.6
93.76656	3.2
94.06550	16.9
106.06519	4.0
107.04924	3.8
120.08070	5.1
125.06049	3.0
125.07102	15.6
134.06018	25.5
136.07556	22.1
138.05524	4.0
138.09113	13.2
147.96567	26.7
148.07603	6.0
152.05838	6.0
152.07088	20.4
153.06558	4.0
162.05470	23.9
165.97618	14.4
166.08542	25.6
167.06975	4.3
168.07465	3.4
170.98120	8.2
173.02744	3.6
176.07068	5.6
184.09712	19.9
194.08087	100.0
194.11778	3.6
195.07675	25.3
212.05481	5.0
212.09059	70.9
212.12816	11.4
212.14618	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	213.0755
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.76540	0.6
55.18475	0.7
61.02921	9.8
65.03931	1.2
72.19843	0.6
79.05485	9.0
91.05464	1.6
93.03401	5.6
95.04948	1.3
107.04948	22.1
110.03652	17.1
111.04410	6.9
119.04959	1.1
121.02846	2.5
121.06474	8.2
122.03636	1.0
125.05974	65.2
130.96315	1.5
133.02849	7.9
135.04402	34.2
137.05962	3.9
148.97311	5.2
149.05960	24.0
150.03117	8.4
151.03886	100.0
151.04922	4.6
153.05447	13.0
163.03893	8.6
165.05447	45.7
167.07019	16.9
171.99010	0.7
177.05437	19.7
189.97655	1.4
195.06483	13.6
195.10210	0.7
196.03380	3.3
213.07526	8.9
213.10959	1.3
229.94072	0.7
232.23283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1267
Annotation	11,12-Dihydrolactaroviolin
Peak:m/z	Relative Intensity
53.54549	2.3
57.07056	3.2
67.05481	2.7
69.07025	3.0
73.06031	2.0
77.45335	2.4
81.07047	3.0
83.08586	2.1
86.92532	2.2
87.43629	2.1
88.07617	13.4
93.06996	2.2
95.08603	2.7
97.06525	27.3
105.07047	2.7
107.08582	4.1
107.56516	2.2
116.52837	2.3
117.43855	2.5
118.24075	2.0
121.06473	9.5
129.06978	16.2
131.08464	2.7
141.06944	2.9
143.08543	34.7
148.08859	5.6
148.96854	4.7
157.10054	17.8
165.06915	3.1
167.08510	5.2
169.10091	16.3
171.07996	9.7
171.11678	14.5
172.16919	4.2
180.09325	5.5
185.09583	2.7
185.13182	3.6
195.11642	9.3
198.10361	3.1
213.09024	5.1
213.10747	4.9
213.12701	100.0
213.16191	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1271
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
51.90905	2.8
62.23717	4.0
66.03217	3.1
72.20960	3.1
74.98133	3.3
83.08619	3.3
84.87719	3.5
88.07608	7.1
90.52351	3.7
95.08617	5.3
97.42968	3.7
109.10119	5.1
129.06969	6.8
130.48154	3.6
143.08490	33.7
149.09503	3.8
149.16469	4.2
157.10109	22.1
185.13223	100.0
195.11761	4.5
213.12717	83.9
213.16286	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	213.148
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01857	1.9
55.05509	17.1
57.03421	12.7
57.07064	2.9
60.04514	1.8
67.05489	69.7
69.07050	23.3
71.04962	7.0
71.08633	1.8
73.06519	1.5
76.51075	1.4
77.00673	1.9
79.05482	29.2
81.03384	2.4
81.07039	100.0
83.04964	7.4
83.08598	20.3
83.36863	1.7
85.06512	10.0
88.07592	14.1
90.67937	1.8
91.05446	17.4
91.81928	1.6
93.07018	68.3
95.04942	4.3
95.08583	26.8
97.06507	14.4
99.04350	1.7
99.08058	3.5
105.06994	3.9
107.08569	43.3
109.06516	3.5
109.10117	8.2
111.08055	14.8
117.06981	11.9
119.08523	3.3
121.06466	2.3
121.10105	20.4
125.05918	2.3
131.08549	13.6
133.10078	17.9
135.08029	3.9
135.11658	20.6
137.74861	1.8
148.97337	3.1
149.09647	3.1
149.13200	47.6
151.11099	1.9
153.08998	2.5
157.10123	2.0
159.11646	23.8
167.38329	1.9
168.42873	1.7
177.12688	6.8
190.67755	1.9
195.13719	14.0
213.11003	2.4
213.12875	8.8
213.16341	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	213.1483
Annotation	MKN-003B
Peak:m/z	Relative Intensity
55.05507	25.4
57.03435	11.9
57.18085	5.0
67.05502	93.1
69.07055	38.8
73.29032	4.5
79.05490	34.5
81.07054	100.0
83.04974	6.4
83.08605	28.8
85.06525	6.6
88.07633	25.7
91.05462	11.5
93.07028	76.3
95.08598	34.5
97.06525	22.2
97.38445	4.9
99.08115	6.7
107.08574	48.1
111.08082	9.5
117.07012	6.2
121.10133	25.1
131.08575	21.0
133.10144	6.6
135.11653	22.7
143.08585	6.0
149.13216	58.7
150.22298	5.0
157.10159	9.6
159.11678	25.4
171.08047	8.7
171.11649	6.7
177.12729	7.1
177.16272	5.6
195.13795	8.7
213.12764	28.0
213.16281	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.53345	0.9
55.01863	1.4
55.05504	13.9
57.03429	2.3
57.07063	2.3
57.50294	0.9
67.05502	73.5
69.07067	23.5
71.04986	5.4
73.85565	1.0
79.05492	28.9
81.07053	100.0
83.04974	7.2
83.08612	21.6
84.36654	1.0
85.06534	2.0
88.07608	1.3
90.23638	0.9
91.05469	19.8
93.07035	61.3
93.40924	1.0
95.04967	5.2
95.08593	25.9
97.06516	10.6
97.10167	1.3
99.08078	1.4
105.07014	5.8
107.07938	1.3
107.08581	34.5
109.06475	1.5
109.10128	2.6
111.08085	6.3
117.07002	12.7
119.08551	1.9
121.06473	1.4
121.10132	16.6
123.11711	7.0
131.08556	11.9
133.10127	20.4
135.08054	2.6
135.11668	15.5
149.13249	36.1
153.09056	1.3
159.11662	17.1
167.14220	1.5
177.12740	6.5
188.43988	1.2
191.32829	1.0
195.13739	10.6
205.63452	1.0
213.13028	5.1
225.89835	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	214.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	35.0
57.44098	3.0
58.74992	3.1
63.15754	2.8
65.94618	3.7
71.08614	16.6
71.23479	3.3
72.93760	2.9
79.99309	2.9
84.96857	3.5
85.10178	3.8
90.94833	4.7
93.72106	3.7
102.21049	3.7
128.14236	3.3
149.93990	4.6
149.96994	4.7
156.63036	3.4
158.09572	8.3
214.16023	4.4
214.18065	7.2
214.21637	100.0
214.25150	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	216.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66018	6.9
54.56756	7.2
57.26723	6.9
61.13104	7.3
61.92390	6.9
62.06087	100.0
63.27238	7.4
64.83418	6.3
68.75584	8.1
70.06580	33.5
71.06945	11.3
72.08150	44.8
73.08494	30.3
98.98463	49.2
106.59295	6.7
114.05495	8.4
116.07146	11.0
119.01934	10.5
124.07572	7.9
128.07114	10.9
132.25887	8.2
133.03510	11.0
134.88164	8.5
136.76250	7.5
142.03523	9.1
152.07048	35.3
152.10666	13.1
170.08116	19.8
170.11661	12.8
173.02158	13.9
175.04475	36.6
198.05339	12.5
198.07492	11.4
216.06441	15.3
216.08507	16.9
216.12277	40.1
216.14149	15.2
226.37845	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	216.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90505	0.8
54.03657	0.7
55.05501	1.7
60.04518	4.7
62.06083	100.0
67.05495	22.1
69.07072	1.3
71.08624	1.1
73.02898	0.9
81.07032	5.0
83.08598	2.2
85.06526	1.5
85.97952	1.0
86.09705	2.3
91.05460	1.8
93.07000	1.2
95.08605	1.5
109.10131	35.1
111.08078	1.0
119.08567	2.1
121.00740	7.1
122.13294	1.0
137.09665	1.4
138.62277	1.0
139.01753	9.9
144.02335	4.1
150.96834	1.5
155.10652	1.2
162.03400	4.3
173.11740	4.6
192.97360	1.1
198.14830	28.1
198.18547	1.4
199.13240	14.6
213.68840	0.9
216.13910	2.1
216.15810	11.5
216.19489	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	216.1592
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
57.07072	0.3
84.68558	0.3
86.06051	1.9
86.09690	100.0
90.64198	0.3
110.36868	0.3
116.10720	0.8
121.00677	0.4
128.10693	59.7
132.95831	0.8
139.01787	0.6
142.12303	0.4
150.96863	0.4
151.94022	0.3
151.97131	0.6
162.03412	0.4
170.11726	62.3
174.14854	8.7
175.02806	0.4
192.97366	0.5
198.18588	0.4
199.05246	2.6
216.05621	1.9
216.13989	0.7
216.15977	2.8
216.19463	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0974
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
51.80949	0.1
51.89946	0.1
53.40782	0.1
55.05516	0.3
55.84843	0.1
59.08550	0.2
60.53039	0.1
67.05518	0.2
72.08144	1.3
72.40460	0.2
73.06569	1.9
74.02442	6.1
77.03908	0.2
79.06644	0.2
81.15195	0.2
83.04949	0.3
85.02914	0.3
86.02388	0.3
86.09704	2.3
89.06044	0.2
101.06027	0.2
103.03953	1.9
110.22755	0.2
111.04429	1.9
112.17349	0.2
115.07584	2.8
130.06526	1.6
132.08095	0.8
143.07318	0.8
144.08089	100.0
146.06009	0.2
155.07048	1.6
156.08098	0.9
171.09142	2.2
173.08131	1.4
173.10756	1.1
199.09671	0.3
200.07118	0.4
217.09779	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	217.1544
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
53.03953	0.2
55.05508	6.2
56.05013	0.3
57.05813	0.6
58.04111	0.1
60.47154	0.1
68.07941	0.1
69.03425	0.1
70.06580	1.1
72.08142	100.0
73.06551	0.2
74.06065	1.5
79.05509	0.1
84.04503	0.3
84.08138	0.2
86.06052	0.3
88.07609	0.7
92.16156	0.1
92.16919	0.1
93.73636	0.1
97.02934	0.1
111.04391	0.3
112.07594	0.2
115.05121	0.2
116.07071	3.2
118.08630	3.5
125.09589	0.1
126.09135	0.2
154.08621	0.3
158.08095	0.2
163.34438	0.2
171.14891	1.4
173.08195	0.2
199.10823	0.6
217.06622	0.2
217.12012	1.1
217.15414	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	218.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69194	4.5
56.05046	11.0
57.07077	8.4
72.08150	38.3
86.06073	7.8
88.03986	8.3
98.97570	39.7
100.03970	6.0
101.02382	13.5
104.07074	5.3
109.10162	11.5
116.98624	35.5
117.00602	6.6
121.74306	5.8
134.04485	22.4
134.99658	21.4
147.04398	40.0
154.08635	11.1
154.12245	90.9
158.08141	12.6
159.02318	12.8
172.09639	9.5
172.13345	72.6
177.03326	39.2
194.99971	8.4
195.04305	8.7
196.25041	5.3
200.09219	13.4
200.12839	23.0
218.06462	6.0
218.08362	7.8
218.10155	23.4
218.11890	29.4
218.15483	100.0
237.62184	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	219.0648
Annotation	4,4a-Dihydrodibenzo-p-dioxin-4,4a-diol
Peak:m/z	Relative Intensity
53.32489	1.4
58.96407	1.5
58.99964	1.5
69.07021	1.8
90.36833	1.8
91.05450	2.3
97.98409	1.6
98.97576	2.5
119.04922	10.4
119.08566	2.2
132.44191	1.9
147.04375	100.0
161.98772	1.8
172.95197	7.5
190.96341	3.8
203.14221	6.4
216.81650	1.5
219.06467	73.6
219.15604	6.4
219.17456	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	219.0647
Annotation	2,7-Dihydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
61.89701	1.3
81.07024	2.8
91.05469	2.2
93.07014	2.9
95.08626	1.6
105.07018	2.3
107.08591	2.5
115.05408	25.1
117.06980	7.4
119.08572	3.0
129.06960	10.5
131.04857	3.8
131.08557	16.8
133.10019	1.5
135.07991	1.8
141.06995	15.6
143.04910	10.5
144.05653	6.5
145.06477	3.3
147.08012	3.0
149.60190	1.7
157.06483	11.7
158.07219	2.4
159.04361	16.3
159.07985	17.0
159.11588	2.6
160.05142	61.4
161.05965	1.9
161.09602	2.8
161.13152	1.6
163.07510	1.6
169.06470	7.2
170.07127	1.7
173.13245	2.9
174.06689	26.8
175.07487	100.0
186.06715	8.4
187.03891	13.3
189.09052	49.8
191.07132	2.1
201.05304	23.9
201.09023	26.0
201.12704	2.4
201.16292	2.6
219.06502	17.1
219.10062	50.2
219.13707	3.5
219.15633	3.7
219.17442	10.4
219.21445	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	219.0649
Annotation	2,7-Dihydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.58366	0.4
56.26827	0.4
89.97896	0.4
91.05473	2.7
92.17434	0.5
93.07001	1.0
95.08557	0.6
103.05458	0.7
105.07016	1.0
107.08561	0.6
115.05424	19.7
116.06137	1.0
117.06995	5.8
119.08560	1.9
126.77970	0.4
128.06157	2.2
129.06984	10.0
131.04868	2.5
131.08545	13.7
132.05634	2.3
133.10115	0.8
135.08101	0.5
137.05948	0.5
141.06947	7.9
143.04893	8.9
143.08524	0.7
144.05711	6.6
145.06480	2.3
146.07208	0.5
147.04370	1.1
147.08049	3.5
157.06444	7.3
158.07253	3.7
159.04378	18.1
159.07990	11.7
159.11662	2.1
160.05156	56.1
161.09610	1.1
162.06714	0.6
163.07472	0.6
169.06418	4.5
170.07236	1.8
173.05905	0.6
173.13210	0.8
174.06726	22.0
175.07500	100.0
177.09032	0.7
178.04958	0.5
186.06708	6.2
187.03856	14.6
188.08238	0.9
189.09071	38.5
191.06966	2.5
191.10596	2.8
201.05310	21.8
201.09058	17.0
201.12766	0.5
219.06572	11.0
219.10092	34.6
219.13641	2.1
219.15550	0.9
219.17368	3.4
219.21368	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1011
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03415	0.8
57.22473	0.8
57.27932	0.8
89.11650	0.9
89.34682	0.9
91.05447	2.2
97.22050	1.0
115.05375	1.3
117.06988	1.0
128.06224	1.7
129.06969	20.9
131.04860	4.9
131.08536	29.7
137.05928	1.9
141.06967	24.5
143.04854	1.5
143.08437	1.4
144.05647	4.5
145.06462	1.9
157.06451	19.2
158.07233	12.1
159.08009	31.3
160.05022	1.9
161.05872	1.4
161.09567	4.3
163.07469	1.3
169.06369	14.8
170.07220	5.8
173.09599	1.1
174.06712	55.3
175.07492	12.9
182.07072	1.1
186.06744	14.9
187.07477	1.2
188.08243	1.6
189.09062	100.0
191.06902	1.5
191.10632	6.8
201.09047	39.3
219.10100	99.7
219.17418	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	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.61940	0.5
54.80935	0.5
57.03444	0.7
67.05502	0.7
81.07069	1.0
87.81564	0.5
88.03970	2.6
88.61337	0.5
91.05463	3.6
93.07001	1.0
105.07008	1.1
105.58696	0.5
109.10178	0.5
115.05428	2.8
116.06183	0.7
117.06972	1.2
119.08591	0.8
121.10144	1.2
122.09371	0.5
126.06596	0.5
128.06198	2.4
129.06995	22.7
130.06474	0.7
131.04872	4.4
131.08556	33.2
132.08093	10.1
133.10080	0.5
137.05988	2.9
141.06982	21.3
142.06474	1.0
143.04872	2.3
143.07301	3.0
143.08473	1.2
144.04510	1.9
144.05682	2.9
145.06493	3.9
145.10100	1.1
146.07239	1.2
148.05208	0.6
157.06468	21.5
158.07262	10.4
158.09560	0.9
159.04424	0.9
159.08011	28.0
159.09171	10.7
159.11664	1.3
160.05209	3.5
160.07553	72.4
161.05939	0.9
161.09558	4.0
161.13188	2.6
162.42500	0.5
163.07507	2.3
163.40993	0.6
168.05605	0.7
169.06439	15.2
169.07654	1.3
170.05954	5.0
170.07256	7.7
171.08035	1.2
173.05963	2.7
173.09575	1.1
174.06740	58.5
175.07497	11.9
183.08002	0.9
186.06741	17.9
187.07556	2.2
188.08299	3.4
189.09091	100.0
191.06952	1.1
191.10654	7.5
201.05458	1.2
201.09077	44.5
201.16383	2.1
202.08607	45.8
203.14279	0.6
219.10132	99.4
219.17380	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	219.1011
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.25033	0.7
57.03400	0.9
58.85981	0.8
65.43203	0.6
67.05473	1.7
69.03405	1.0
74.79379	0.8
79.05473	1.4
81.07013	2.1
91.05437	5.2
93.07018	1.9
95.08557	0.9
97.02928	1.0
103.26237	0.9
105.06983	3.9
107.08595	1.5
109.10104	0.9
115.05418	8.7
117.06960	5.3
119.08523	1.5
121.10073	1.5
128.06177	3.9
129.06969	23.3
130.03955	0.9
130.07701	1.7
131.04868	4.9
131.08528	32.3
133.10097	1.7
137.05960	1.3
141.06964	21.8
143.04881	4.5
143.08501	3.5
144.05638	4.5
145.06427	4.4
145.10063	4.3
146.07213	1.3
147.04286	1.2
147.07956	0.9
157.06444	20.5
158.07202	10.1
159.04343	5.4
159.07999	29.9
159.11604	5.2
160.05147	24.1
161.09540	3.7
161.13202	6.3
169.06442	12.6
170.07208	5.4
171.07993	1.1
173.05896	1.5
173.13129	1.3
174.06712	52.9
175.06017	1.8
175.07491	46.1
177.05244	1.1
186.06705	15.5
187.03816	4.4
187.07455	3.4
188.08199	4.2
189.09055	97.6
191.06964	3.6
191.10570	5.5
201.05368	12.6
201.09042	33.4
201.12599	2.1
201.16325	5.0
219.06419	7.6
219.10080	100.0
219.13640	4.4
219.17413	8.8
219.21431	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	219.1012
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
67.05476	1.3
74.48562	1.4
75.74543	1.2
78.09715	1.3
80.18070	1.5
81.07048	1.7
85.02909	1.5
89.87784	1.3
91.05448	6.2
93.07013	1.3
103.05453	2.3
105.06989	2.3
115.05435	1.9
117.06994	2.2
129.06984	17.0
131.04916	6.6
131.08545	29.2
133.10106	2.0
137.05882	2.4
141.06964	19.2
143.04820	2.0
144.05663	1.7
145.06424	2.0
145.10118	2.6
151.03868	5.5
157.06461	19.6
158.06003	2.5
158.07236	8.5
159.04393	2.5
159.08011	26.7
159.11673	6.2
160.05186	2.4
161.09534	2.9
163.07506	5.5
169.06436	10.6
170.07204	2.9
174.06717	47.7
175.07532	17.6
176.06966	13.1
186.06760	11.5
187.03856	2.9
188.08231	3.2
189.09064	83.6
191.06982	8.9
191.10654	6.5
201.09059	36.7
201.12703	1.9
201.16519	2.0
219.06828	12.3
219.10110	100.0
219.13748	7.8
219.15619	4.8
219.17439	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	219.1335
Annotation	L-leucyl-L-serine
Peak:m/z	Relative Intensity
55.05492	5.2
56.05024	1.9
57.05819	0.4
59.60957	0.4
60.04514	0.4
61.01138	2.4
63.43094	0.4
63.47856	0.3
66.87872	0.4
69.07062	4.7
72.08140	43.0
73.06544	6.1
74.06064	10.6
82.06559	0.7
83.06097	1.1
84.04489	33.8
84.08121	5.8
85.02869	0.8
86.06030	0.8
86.09686	100.0
88.03964	0.7
90.05523	0.7
90.09173	55.4
91.45816	0.4
96.08114	0.5
102.05523	1.9
106.05032	0.9
110.69615	0.5
114.09184	0.5
116.07058	0.6
118.08618	2.1
130.04970	14.7
130.08614	3.2
141.10204	0.5
142.08629	0.5
148.06104	0.6
155.08189	0.8
155.11743	3.7
156.10161	11.7
156.96568	0.5
173.12845	2.7
184.09656	7.9
200.95520	0.7
201.12296	23.3
202.10699	14.1
203.14296	0.5
215.84102	0.4
218.96561	0.5
219.13419	13.6
219.17212	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	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05491	0.8
60.04527	100.0
61.01138	1.4
64.18188	0.7
67.05489	1.0
69.07051	1.2
72.08148	4.9
81.03438	0.9
84.04501	1.4
85.02884	1.4
86.09702	73.2
87.05564	5.6
88.44521	0.7
93.06989	1.1
95.08612	1.1
97.06424	0.8
98.97593	1.4
99.97928	0.8
116.98631	1.4
128.10715	3.1
132.10199	63.6
134.99634	0.8
137.05870	0.7
146.05986	0.9
173.12848	31.9
175.05466	1.1
177.07338	0.9
201.12326	6.1
203.14253	3.8
218.98247	0.9
219.07777	2.5
219.11333	2.8
219.13417	12.0
219.15623	2.7
219.17445	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	219.1335
Annotation	Lysopine
Peak:m/z	Relative Intensity
50.43744	0.9
50.91745	1.0
50.93492	0.9
55.05504	5.6
56.05027	5.9
57.03410	1.0
58.06586	5.3
60.19680	0.9
61.01147	10.8
69.07058	1.9
70.06574	2.3
72.04489	1.0
72.08141	76.5
73.06540	2.4
74.06065	35.5
75.04446	1.0
79.02175	1.1
84.04489	45.0
84.08130	100.0
85.02881	1.3
85.30637	1.0
86.06052	23.9
86.09689	82.8
90.05534	29.1
90.09176	37.1
98.06024	7.6
102.05528	7.4
112.07553	4.7
114.05458	1.6
116.07037	12.1
116.43221	1.0
118.05021	1.8
118.08656	4.2
120.06554	2.0
127.09509	1.1
128.07033	2.4
130.04970	31.4
130.08614	46.1
131.81738	1.1
132.06577	1.2
138.05548	1.5
138.09122	1.3
142.04961	1.8
144.10153	2.1
148.06032	6.1
155.11790	1.4
155.74359	1.4
156.06529	13.8
156.10170	9.8
156.13799	5.9
156.96619	2.1
164.14430	1.3
173.10008	5.0
173.12857	6.8
174.14864	5.8
184.09680	10.3
189.08693	5.4
197.09129	1.2
200.95551	4.8
201.12276	14.6
201.15976	1.9
202.05147	2.1
202.07089	11.0
202.10675	9.4
218.96619	1.9
219.07648	1.9
219.09633	8.6
219.13460	21.6
219.17076	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Hyacinthacine C1
Peak:m/z	Relative Intensity
55.05502	6.7
56.05040	4.0
60.04499	4.1
61.01146	2.9
66.67652	3.0
72.08155	31.9
72.20341	3.4
73.06541	16.9
84.04494	81.4
84.05269	3.5
85.02898	18.1
85.06540	5.3
86.06052	3.7
86.09674	4.7
88.03959	5.4
90.05536	16.2
90.09173	7.3
98.00093	3.3
98.97582	5.3
102.05538	22.3
110.09682	19.7
110.68539	3.1
114.05515	3.8
127.62842	4.0
128.07001	3.7
130.04994	43.5
138.09106	21.5
142.04939	5.8
142.08553	3.1
148.06035	7.7
155.78313	3.7
156.06587	6.3
156.10197	53.0
156.13809	6.5
160.06061	4.1
160.09695	4.1
160.95163	18.3
163.99910	4.8
174.05754	7.0
174.07532	4.0
174.11241	48.8
179.02180	44.5
184.09644	44.7
197.03250	6.6
202.07071	6.4
202.10730	29.6
202.14433	5.5
220.06308	4.2
220.09816	6.1
220.11797	100.0
220.15411	12.7
220.17720	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	220.1176
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
57.07064	2.8
57.12892	0.6
59.05004	3.4
62.09436	0.5
67.05485	2.5
69.07053	5.2
70.02947	3.5
72.04504	11.4
73.02908	3.4
74.02432	0.5
81.52471	0.5
85.06525	10.4
86.09696	1.1
87.08095	1.2
87.44857	0.6
90.05537	100.0
92.60242	0.5
95.04966	5.3
98.02399	14.1
100.03950	2.5
103.07568	10.4
112.07597	0.7
113.05995	2.2
116.03429	15.9
120.97973	0.5
124.07557	16.6
130.08623	0.7
142.08611	8.8
156.10196	0.8
160.09653	2.7
166.08577	2.8
174.11237	3.5
184.09651	21.8
202.10703	29.6
209.37541	0.6
220.11754	33.8
230.12209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1541
Annotation	Miglustat
Peak:m/z	Relative Intensity
55.05504	6.9
56.05033	0.7
57.07058	0.9
64.98999	0.7
67.05479	3.2
70.06552	0.8
71.04123	0.7
72.08147	20.7
73.06529	5.0
73.08459	3.0
74.06070	1.5
77.94868	0.7
84.04507	6.7
84.08139	2.7
85.02898	1.1
85.04815	1.7
85.06527	23.5
86.09683	5.9
87.10012	5.1
88.03965	0.9
90.05526	3.7
90.09156	7.6
91.09496	3.8
92.17507	0.8
95.04919	0.9
102.05521	1.0
102.09141	1.9
113.05977	1.0
114.09145	20.2
115.02122	1.6
116.07083	0.9
122.94241	0.7
124.07634	0.8
127.52826	0.7
130.04977	3.5
133.03172	4.1
136.67334	0.7
138.09079	1.0
138.98625	0.8
142.23549	0.7
148.05994	1.1
148.09715	5.6
149.96082	0.9
156.10190	3.1
156.13806	49.3
156.15099	1.6
157.10443	1.0
158.08109	0.8
160.09633	1.1
161.01175	1.1
170.19818	0.7
174.05757	1.6
174.11218	4.6
174.14871	12.9
179.02242	9.7
184.09669	4.0
184.13243	1.0
197.03166	1.0
202.10657	4.1
202.12653	3.0
202.14330	30.5
203.11092	1.8
220.06075	1.1
220.11795	12.5
220.15395	100.0
220.17958	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	221.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04120	0.4
67.40112	0.4
81.07047	0.9
91.05470	2.1
93.07021	0.5
95.08600	0.7
99.04446	0.5
105.07018	1.9
107.05013	0.8
114.32575	0.5
117.07053	0.8
119.04949	6.6
119.08578	1.1
123.08090	0.8
133.10129	0.8
145.06477	1.1
145.10097	0.6
147.04408	100.0
160.05115	0.6
161.05965	0.9
161.09618	1.0
175.07492	4.1
175.11130	0.7
177.05482	0.6
177.09143	1.9
189.29768	0.4
198.84743	0.5
221.04413	0.8
221.08029	9.9
221.11566	0.8
221.15416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
82.02933	1.9
94.06551	5.2
101.07962	0.5
128.33044	0.6
130.06506	53.0
132.04430	28.1
147.09163	0.9
148.07552	2.5
157.07584	52.2
158.04616	1.2
158.05981	84.5
175.08638	100.0
176.07043	3.4
185.07063	2.3
186.05478	3.4
203.06232	1.0
203.08128	30.7
204.06470	3.6
221.09189	16.2
221.12679	4.0
221.92638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1532
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05502	1.2
57.07057	1.3
63.73054	1.0
66.22688	1.0
66.41868	1.0
68.20210	1.0
69.07035	5.2
81.07024	4.5
81.76049	1.4
82.71292	1.0
83.08599	2.1
83.61122	1.0
85.02881	4.6
85.06507	1.2
93.07001	1.7
95.06202	1.0
95.08563	4.6
105.06973	4.5
107.08576	5.0
108.05671	1.0
109.06493	2.4
109.10104	2.0
111.08035	1.6
119.08576	8.6
120.87794	1.2
121.06428	1.2
121.10097	2.6
123.08003	1.9
123.11687	1.2
133.10112	14.3
135.08057	1.8
135.11647	1.9
137.09625	2.4
137.13239	1.2
145.10097	1.8
147.11644	1.7
151.07541	14.5
161.13217	43.2
163.11121	4.6
165.09038	2.3
175.14749	1.5
179.14287	6.0
185.13251	1.2
203.14246	4.7
203.17862	1.3
221.07428	1.8
221.15309	100.0
223.32901	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	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03920	5.8
55.05508	11.2
57.07074	5.7
67.05489	31.8
69.07059	28.2
71.04972	12.6
73.45921	5.1
79.05474	43.1
79.42101	5.8
81.07043	56.8
83.04966	6.9
83.08604	11.2
85.07954	5.0
91.05453	36.9
93.07029	97.0
95.04933	54.2
95.08579	35.8
97.06512	28.3
105.06995	32.1
107.04947	11.1
107.08588	100.0
109.06505	22.0
109.10132	13.3
111.04434	6.8
114.61283	5.2
116.22181	6.1
117.06981	6.0
119.08579	79.2
121.06461	9.4
121.10109	32.7
122.09669	9.1
123.05739	6.0
123.08054	23.9
131.08562	8.8
133.06393	8.8
133.10110	28.9
135.11720	6.5
137.09570	10.4
143.08549	6.9
145.10078	11.5
147.08044	6.4
147.11644	9.6
148.07518	9.1
159.11676	10.0
161.04056	7.2
161.13208	33.7
163.11168	26.1
175.14786	36.9
177.12747	6.0
177.96251	6.4
179.14256	14.0
185.13234	30.2
203.14207	11.2
204.09706	11.8
221.07556	9.8
221.15256	72.1
221.18813	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	221.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95928	0.1
58.06568	0.2
60.08154	1.1
74.95108	0.2
80.70530	0.2
84.08121	0.2
104.10725	100.0
119.98139	0.2
148.55209	0.2
221.01907	0.2
221.04164	0.2
221.18509	0.2
241.30878	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	222.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22676	0.9
54.68723	1.1
60.53988	0.9
66.80904	0.9
78.57957	1.1
86.09682	17.2
104.10739	10.1
105.11085	8.5
162.94563	13.7
222.01923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.93525	3.0
56.05027	3.3
57.03431	10.9
58.06604	57.3
59.05038	2.9
59.07370	4.3
59.26805	2.3
60.04517	11.0
61.01161	23.3
61.02922	12.8
63.99855	9.7
69.03426	26.1
71.05001	6.1
72.04517	3.9
73.02901	23.7
74.06078	35.9
75.76935	2.4
79.02189	96.5
81.03418	13.5
81.29646	2.7
84.04489	19.9
85.02905	62.5
86.06065	12.4
86.09728	3.4
87.04459	5.5
88.03930	3.5
91.03967	3.0
91.05461	21.6
92.07119	5.0
96.04469	3.7
97.02869	22.7
98.06034	4.9
99.04444	4.7
100.03978	12.0
101.00860	5.1
102.05575	4.9
103.92517	2.6
106.05029	22.2
107.04945	3.1
107.48038	2.6
109.02859	4.8
114.05523	4.7
115.03970	3.3
115.72849	2.6
116.03460	3.9
119.01897	18.0
119.04927	54.7
119.05699	3.9
121.06492	3.3
126.05510	29.8
127.03918	16.9
128.07047	3.4
131.01875	4.4
131.06831	13.6
132.06569	3.1
133.04816	4.1
135.04417	17.2
138.05522	34.6
140.07048	3.2
143.01884	11.8
144.06541	64.6
145.04944	4.6
146.96144	3.1
150.95091	23.7
155.01875	15.2
156.97498	11.2
158.06131	2.7
158.08043	16.2
158.11823	5.0
159.06372	19.7
161.01176	26.1
161.02896	4.1
163.00804	2.9
163.03891	18.1
167.01874	3.6
168.06534	5.6
168.96162	10.6
173.01192	6.1
173.02969	12.0
174.98514	3.7
176.03394	2.7
176.07326	11.0
176.09071	39.3
176.12814	32.5
178.12245	33.1
178.55276	2.9
179.02200	73.0
179.05807	3.1
180.02344	12.9
180.98087	2.5
181.02037	11.3
185.02930	28.7
186.07553	29.9
191.02232	37.3
197.02934	5.3
198.98515	33.3
203.04080	3.3
204.08661	100.0
204.10338	3.6
204.12364	5.0
207.80815	2.8
209.03249	3.8
215.03979	3.0
216.99637	2.7
221.03259	16.1
222.01929	22.1
222.07687	9.6
222.09602	20.0
222.11270	67.9
222.13350	32.0
227.03909	4.6
233.88406	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	223.0959
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
50.68481	0.2
52.90844	0.2
57.07067	6.5
58.06575	0.5
65.03918	0.4
70.06520	0.2
74.29374	0.2
76.92390	0.2
85.67191	0.3
95.08617	0.2
98.97518	0.3
111.09164	0.4
121.02827	1.8
121.03979	0.3
122.07127	0.2
123.69111	0.2
149.02312	100.0
164.08177	0.2
167.03333	2.0
191.12154	0.2
223.11502	1.2
223.13412	0.3
223.15221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1075
Annotation	Phe Gly
Peak:m/z	Relative Intensity
53.20955	0.4
53.30603	0.3
58.06589	2.3
59.06924	0.7
61.01151	1.8
64.10047	0.4
64.82005	0.4
65.99223	0.4
69.07040	0.4
73.02910	3.2
79.05482	0.8
81.07038	0.6
89.06033	0.8
89.71345	0.4
91.05483	0.9
91.11005	0.4
92.05813	0.5
92.98258	0.4
93.07060	0.8
95.04923	0.5
95.08604	0.6
97.06512	0.5
98.97569	2.2
100.07573	0.6
103.05470	0.8
105.07069	0.8
107.04960	2.1
107.08556	0.6
109.06515	0.6
116.98624	0.6
117.07021	0.5
119.04951	1.0
119.08575	0.5
120.05252	1.8
120.08095	100.0
121.00777	0.9
121.06516	0.6
131.04904	1.8
131.08499	0.5
133.06508	0.6
134.99660	0.5
135.04391	0.6
135.08037	1.1
136.04739	1.0
139.01831	1.9
139.96854	1.0
145.10201	0.5
146.06049	0.9
149.05971	2.8
157.98015	0.5
161.05983	0.5
163.01805	19.5
163.03906	1.4
163.08644	0.7
163.11145	0.5
164.04271	0.7
164.08994	1.0
166.08614	38.6
177.08797	0.7
177.10225	12.2
178.08597	0.5
179.12613	1.9
181.01262	0.5
181.02827	15.6
181.97937	0.6
205.83075	0.5
207.99907	0.6
209.02983	1.0
218.95540	0.5
223.02174	13.5
223.04242	0.8
223.05916	1.7
223.07932	0.5
223.11488	4.7
223.14648	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	223.1324
Annotation	Annuionone B
Peak:m/z	Relative Intensity
52.91824	0.8
54.27439	0.8
55.05495	4.5
57.07054	1.4
58.06599	1.2
59.04974	5.7
67.05477	5.2
67.65086	1.0
69.03395	1.7
79.05460	1.1
80.29168	0.9
80.83738	0.9
81.03387	1.0
81.07031	1.2
83.04962	58.4
83.08587	1.1
90.22186	1.0
91.05437	1.6
93.07027	35.4
95.04951	1.7
95.08581	29.7
97.06507	8.0
101.05981	1.0
105.06986	1.1
107.08601	6.9
109.10120	3.9
111.08054	60.0
119.08559	9.6
121.06480	36.4
121.10056	7.0
123.08041	4.6
127.07505	2.3
131.08521	1.2
135.08017	6.5
135.11642	14.9
137.09560	6.9
139.07503	23.4
145.10078	2.0
147.08018	12.7
149.05994	1.7
149.13129	1.2
159.11656	18.1
161.13251	3.9
163.07494	1.1
163.11116	13.1
165.09074	26.8
172.08804	1.6
177.12686	13.7
179.12631	1.2
181.12169	21.0
187.11139	27.4
195.13741	9.6
205.12195	32.4
223.05927	1.4
223.13239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51205	3.1
57.03421	6.8
63.01250	2.7
64.21161	3.0
69.03417	4.1
70.38725	3.0
73.02899	21.1
77.52656	3.4
85.02887	15.9
86.99639	3.4
94.92999	21.1
97.02867	17.2
111.02860	5.7
112.91174	3.4
123.02905	5.2
129.02934	3.6
132.03418	3.9
135.02933	4.7
138.03375	14.0
143.01871	13.0
147.04042	3.1
155.01859	15.2
160.04536	7.9
161.02975	7.7
173.02936	21.7
183.04807	3.9
185.02988	5.7
192.05522	25.3
201.06058	7.3
203.04016	4.3
205.96150	6.4
206.10201	6.4
206.94502	4.1
221.05009	6.0
223.97151	100.0
223.99155	6.9
224.51424	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	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37871	0.1
74.28011	0.1
82.99799	0.9
90.06137	0.1
94.07376	0.2
101.00871	20.0
111.01616	0.1
119.01909	100.0
121.02337	0.3
124.02440	8.7
125.37961	0.1
137.02950	22.0
141.96558	0.6
142.03493	84.4
143.01859	1.9
143.03630	0.6
160.04541	16.3
161.02936	50.4
165.05098	1.8
179.03990	51.9
181.04439	0.1
183.06137	0.3
183.09268	0.2
183.97548	0.7
184.04527	5.9
193.05611	0.1
201.98616	0.2
202.05580	4.1
225.07086	0.1
225.13358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0753
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.05516	0.6
55.42859	0.6
57.07069	0.7
58.06595	3.5
67.05492	1.6
69.07050	1.2
70.04058	4.0
71.04970	1.1
78.55787	0.7
79.05468	1.7
80.05824	0.9
81.07046	2.9
83.08570	0.8
85.06527	1.0
91.05467	19.4
93.07043	8.2
94.07355	8.3
95.04936	2.9
95.08591	4.7
97.06535	1.3
97.10172	0.8
99.04445	4.6
101.06029	1.0
103.05463	1.1
105.07024	3.4
107.08581	4.0
109.06506	1.8
109.10143	1.6
110.10513	0.7
111.04452	0.9
111.08049	3.0
118.04173	1.2
119.04926	61.4
119.08576	1.8
121.06495	3.9
121.10094	3.4
122.06804	4.3
123.04426	0.9
123.08007	1.5
123.46245	0.7
125.05929	0.9
131.04924	0.8
137.05983	1.6
137.09633	1.6
145.02942	0.9
147.04387	51.3
147.11693	1.4
149.02370	1.0
149.09599	2.7
153.05443	1.1
157.03958	6.0
159.64609	0.8
164.04698	2.8
165.05438	4.4
166.05563	6.1
175.03876	90.6
179.06987	7.2
182.08496	0.9
183.06538	1.3
183.09169	7.5
189.12668	0.9
192.04153	29.8
193.04866	1.1
207.06497	100.0
207.13759	4.6
225.07555	1.0
225.13326	22.7
231.00311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05500	1.4
56.27176	0.9
57.03413	0.8
58.06581	1.3
59.04995	9.3
67.05486	4.4
68.82238	0.7
69.03410	9.4
69.07058	6.6
69.70467	0.7
70.71065	0.8
71.04967	3.6
73.99687	0.7
79.05480	9.6
80.05807	1.2
81.07051	10.2
83.04973	5.7
83.08610	4.3
85.06532	0.9
87.04457	11.5
91.05443	9.8
92.05791	1.3
93.07023	41.5
94.07333	6.9
95.04935	5.4
95.08595	14.0
97.06514	4.3
97.10135	1.0
99.04438	5.6
101.05994	1.2
105.04269	0.9
105.07020	22.2
107.07902	1.4
107.08579	31.8
109.06512	8.2
109.10150	4.1
110.64946	0.8
111.08071	6.6
117.07034	1.4
119.04932	9.7
119.08559	16.4
121.06470	3.6
121.10125	7.7
122.06812	3.6
123.08045	13.9
123.11696	4.4
125.09599	1.2
127.89182	0.9
131.08540	4.4
131.19580	0.8
133.06456	3.8
133.10097	6.2
137.05945	4.4
137.09558	3.6
139.07545	1.4
139.11162	4.2
141.09090	5.0
143.08546	3.7
145.10103	2.0
147.04373	7.4
147.08009	4.6
147.11690	11.8
149.09593	9.0
151.07501	3.9
151.11154	100.0
155.07037	0.9
156.09270	4.0
159.11642	4.2
161.09622	3.9
161.13208	17.8
163.11133	1.3
165.05426	1.9
165.09097	1.2
165.12726	1.2
166.05794	7.3
167.10649	3.3
169.08659	1.5
171.11610	5.7
174.10332	1.2
175.03848	12.7
177.12718	5.2
179.06978	5.7
179.14297	1.5
183.09126	7.2
189.12706	17.1
192.04050	1.9
207.06470	12.5
207.13765	73.6
225.12865	17.7
225.14978	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	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.61034	0.4
55.01865	4.9
55.05492	2.3
57.03421	0.9
57.07040	0.9
63.23610	0.5
65.03918	1.1
66.79369	0.4
67.05474	2.4
69.03411	0.8
69.07048	5.7
71.04966	0.9
71.08591	0.6
73.02908	37.5
73.06516	0.6
79.05492	3.7
81.07043	2.3
83.04958	0.8
83.08582	2.9
85.02867	1.2
85.06515	2.0
86.09666	3.2
91.03919	0.5
91.05444	1.2
93.07013	3.1
95.04948	7.0
95.08561	2.2
96.08114	17.2
97.06474	2.9
99.04439	0.9
99.08074	1.0
100.11247	25.4
105.07010	1.2
107.04940	0.8
107.08562	3.0
109.06482	3.9
109.08877	0.5
109.10175	0.7
111.04389	0.9
111.08045	1.0
113.10741	4.1
114.09148	16.7
115.07526	0.9
119.04883	0.8
119.08553	1.0
121.00695	0.5
121.06477	2.4
121.10091	3.1
123.04416	9.0
123.08041	1.2
125.05983	2.0
125.09621	2.1
131.08549	1.0
133.10083	1.9
135.08052	0.9
135.11703	0.8
139.01779	1.1
140.04669	37.7
141.09105	0.6
145.10110	1.1
147.11685	0.6
149.05940	0.9
149.09608	1.9
149.13153	0.7
150.11456	0.5
153.05432	1.0
153.09099	1.1
155.07007	55.2
163.01791	15.3
163.11107	0.8
167.06982	3.3
167.10544	1.1
171.06520	3.6
173.08046	2.0
177.04259	1.8
179.07066	2.1
181.02872	14.5
181.04919	100.0
181.08281	5.4
181.63371	0.5
184.09930	44.7
185.10733	1.2
186.03429	4.3
191.10539	0.9
209.08128	22.6
209.11525	0.8
209.16531	15.1
227.09105	21.6
227.15453	3.1
227.17505	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89847	0.7
55.01863	1.0
55.05489	4.8
57.03412	1.5
58.20499	0.6
60.19764	0.6
66.55301	0.7
67.05484	1.7
69.07051	8.5
69.62542	0.7
71.04947	1.0
71.08620	0.6
73.02888	1.6
79.05462	4.2
81.07027	4.4
83.08587	3.5
85.06512	1.2
88.36593	0.7
91.05447	1.7
92.17422	1.4
93.05759	0.8
93.06994	5.2
95.04926	2.9
95.08554	4.9
96.08112	21.4
97.06493	1.7
97.10132	1.0
99.04417	3.3
100.11234	27.1
105.06985	1.3
107.04935	1.1
107.08562	17.9
109.06507	2.8
109.10096	1.4
111.08051	3.1
113.10736	6.0
114.09140	18.9
116.35189	0.9
116.60491	0.8
119.08554	1.5
121.06441	3.9
121.10107	1.8
123.08034	5.8
125.09605	1.2
128.43538	0.8
128.80249	0.7
131.08534	1.4
133.10085	1.8
135.08028	23.0
135.11668	3.7
137.05945	1.1
139.07521	13.0
139.11113	1.2
140.04669	1.8
145.10088	1.8
147.08043	0.9
147.11562	1.0
149.05937	3.9
149.09587	0.7
150.11475	1.4
152.90327	0.9
155.06981	3.8
163.01776	4.8
163.07477	23.2
163.11130	2.9
167.06990	40.2
167.10634	1.1
171.06367	0.9
177.05428	1.8
181.02818	4.5
181.04915	8.1
181.08583	1.1
184.09909	100.0
185.10701	4.1
191.06969	3.7
191.10555	1.6
209.08055	7.1
209.11578	1.2
209.16536	18.6
224.68068	0.7
227.08754	1.6
227.12714	2.6
227.15382	7.2
227.17476	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	Chloriolide
Peak:m/z	Relative Intensity
50.08359	0.5
55.01866	4.1
55.05507	8.4
55.35668	0.5
57.03418	3.2
57.07050	0.8
60.98726	0.7
67.05191	0.6
67.05499	11.5
69.03410	0.9
69.07056	9.9
71.04970	3.2
72.25774	0.4
73.02888	2.4
74.28500	0.5
74.78198	0.4
76.03130	0.6
79.05482	20.4
80.19660	0.5
81.03394	3.1
81.07044	19.1
83.04957	4.2
83.08608	17.8
85.06510	1.1
91.05463	4.6
93.07027	35.3
95.04953	8.2
95.08589	49.3
96.08115	12.8
97.00793	0.9
97.02868	4.9
97.06498	5.3
97.10143	2.5
99.04443	9.4
99.08086	0.9
100.11241	22.6
103.05449	0.9
105.07032	5.3
107.04937	12.8
107.08575	32.7
109.06486	3.5
109.10134	4.5
111.04411	3.4
111.08057	2.5
113.05986	0.8
113.10753	3.2
114.09151	11.1
117.06981	6.4
119.08562	13.1
121.00770	3.8
121.06481	8.3
121.10118	18.1
123.08024	2.3
125.05992	5.0
125.09560	0.7
131.08513	0.9
133.10103	3.5
135.08028	2.5
135.11671	78.8
135.75598	0.7
139.01819	4.7
139.07509	3.1
145.00685	0.9
145.10098	39.8
149.00127	0.5
149.05928	2.4
153.12698	0.9
155.08432	0.8
155.11183	0.6
157.10245	0.7
163.01784	68.4
163.11143	95.1
167.07007	11.1
173.09583	3.4
173.13037	0.6
177.05428	3.1
181.01186	1.4
181.02840	58.3
181.12177	18.8
184.09926	67.0
185.10738	3.2
186.03387	17.1
191.10678	1.3
204.04466	3.3
209.07996	0.8
209.11696	2.4
209.16466	12.4
225.77492	0.6
227.12730	100.0
227.15182	4.3
227.17471	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	227.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
56.48653	0.8
57.03428	0.7
60.43180	0.8
67.05493	12.7
69.07048	4.6
71.04976	59.4
77.00607	0.8
79.05476	7.7
79.76865	0.7
81.06596	1.1
81.07041	18.1
83.04957	0.9
83.08588	3.3
85.06527	1.5
91.05464	1.6
93.07033	11.0
95.08592	17.1
96.08101	14.2
97.06510	4.5
97.10142	4.3
100.11233	24.3
105.07015	1.7
107.08553	6.4
109.10119	6.4
111.08089	1.1
113.10753	4.6
114.09160	13.8
117.07016	1.6
121.00718	1.5
121.10130	4.1
123.11669	0.9
125.09558	3.0
131.08539	3.2
133.10094	3.3
135.08003	1.3
135.11688	8.5
139.01825	0.9
149.13283	1.9
150.11528	1.4
151.14838	1.0
157.10123	1.3
159.11670	5.3
163.01790	29.1
163.11072	1.1
165.06041	0.7
167.07004	4.2
171.11678	0.8
177.12770	1.1
177.16347	1.7
181.02840	28.2
184.09918	100.0
185.10696	3.9
186.03386	6.5
186.22166	1.7
189.11128	1.3
204.04457	1.0
207.78062	0.7
209.16565	14.9
227.12611	3.6
227.14694	31.2
227.17532	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	227.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18087	0.8
55.05508	6.5
56.38015	0.9
58.34705	1.0
67.05492	4.6
67.10302	0.9
69.03406	5.7
69.07052	15.0
70.25816	0.9
71.04989	6.8
73.02893	1.5
76.56372	0.8
79.05479	5.3
81.07042	8.9
83.04972	6.2
83.08591	5.9
85.06512	1.5
91.05479	1.1
93.07028	7.8
95.04932	1.9
95.08578	8.7
96.08112	23.4
97.06492	4.0
97.10147	5.4
99.04423	1.4
99.08086	1.2
100.11245	41.4
105.07011	4.5
107.04971	1.0
107.08576	16.1
109.06501	1.9
109.10130	9.0
111.08075	4.1
113.10744	4.5
114.09138	25.3
115.07549	1.3
119.08577	2.2
121.06493	3.9
121.10109	7.0
123.08068	4.4
123.11695	4.7
125.09626	7.6
133.10120	4.1
135.08020	4.0
135.11674	3.8
139.01895	1.4
139.11191	1.5
140.04675	2.0
143.10672	1.1
145.10100	4.4
147.11665	1.9
148.12273	1.3
149.09621	4.4
149.13213	1.6
150.11514	0.9
151.11172	6.4
153.09074	3.3
155.07025	1.9
157.10129	1.3
159.07953	1.0
163.01778	19.2
163.11162	4.2
163.14789	3.8
163.64314	1.7
165.12767	1.4
167.06987	7.1
167.10629	1.6
173.13219	5.4
181.02878	17.6
181.04930	6.9
181.12218	1.6
184.09924	100.0
185.10744	3.8
186.03357	2.3
191.10609	1.2
191.14287	5.0
209.08127	1.7
209.16618	20.5
215.39108	0.9
227.15521	5.4
227.17526	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	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.50971	1.2
55.01873	1.3
55.05509	18.1
57.03427	3.0
57.07077	9.1
57.88440	1.1
57.89966	1.1
58.31915	1.0
59.05008	3.3
60.16688	1.0
60.25930	1.1
65.03982	1.1
67.05497	23.2
67.05783	1.5
69.03423	36.1
69.07065	45.6
71.04990	36.8
79.05488	31.1
81.03429	7.2
81.07053	43.8
83.04973	15.9
83.08609	20.4
85.06551	6.0
87.52470	1.1
91.05465	9.8
93.07037	41.3
95.04947	10.0
95.08598	51.5
96.08124	31.0
96.08692	1.6
97.06519	17.2
97.10155	30.9
99.04456	5.4
99.08121	5.9
100.11248	36.5
100.11849	1.8
105.07024	16.1
107.04990	5.5
107.08587	97.0
109.06505	14.3
109.10142	42.4
111.04498	1.6
111.08073	20.4
113.06044	1.5
113.10781	7.9
114.09158	26.4
114.09876	1.3
115.07512	12.4
117.07029	2.5
119.08614	8.6
121.06507	17.4
121.10133	41.4
121.11028	1.5
123.08089	11.8
123.11684	14.5
125.05968	1.4
125.09623	33.0
125.10488	1.9
129.09129	5.2
131.08562	12.6
133.10115	17.4
135.08044	35.1
135.08986	1.6
135.11690	12.5
137.09613	14.5
139.01913	1.4
139.07588	5.0
139.11206	1.4
143.10725	7.2
145.10201	7.7
147.11670	18.2
149.09619	18.7
149.13225	20.1
151.11162	31.1
151.12209	1.5
153.09113	10.0
158.10931	5.3
161.13315	1.8
163.01773	16.0
163.11218	2.6
163.14792	22.5
163.15878	1.4
165.12715	18.1
167.07114	7.2
167.10764	2.0
172.60968	1.3
173.13220	33.4
177.05394	1.3
181.02841	20.7
184.09938	95.5
185.10809	2.3
186.03462	2.7
190.45119	1.5
191.10716	2.1
191.14278	42.3
209.11867	1.9
209.15355	15.3
209.17072	14.5
218.83427	1.4
227.12814	6.8
227.17648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1752
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
55.05507	0.6
59.99708	0.3
62.48299	0.3
63.25739	0.3
66.60433	0.3
67.27382	0.3
69.07059	5.0
70.39244	0.3
72.93398	0.3
75.69749	0.4
79.05490	3.0
83.08599	1.5
96.08121	27.3
97.06498	1.6
100.11254	13.7
100.11905	0.5
107.68652	0.3
113.10760	6.1
114.09158	24.6
115.07534	1.5
128.45757	0.3
154.31134	0.4
163.01791	4.0
166.18265	0.4
167.07181	0.4
168.06268	0.4
181.02892	2.8
184.09940	6.0
209.16472	19.3
210.14882	0.7
227.17513	100.0
233.65958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.96549	0.3
67.05511	0.6
67.50401	0.3
69.07073	1.8
74.10976	0.3
74.58125	0.3
78.99744	0.3
79.05493	1.5
81.07052	3.8
83.08615	0.7
88.24895	0.3
91.05489	0.5
93.05796	0.3
93.07018	1.2
95.08572	3.1
96.08095	5.2
97.00814	1.3
100.11243	5.6
102.96855	3.5
102.99705	0.5
103.97242	0.7
104.95555	0.3
105.07012	1.6
107.08551	0.7
109.10161	0.7
113.10763	1.3
114.09154	4.9
117.06996	0.6
119.02834	0.4
119.08551	1.3
120.97919	3.4
121.00774	6.4
121.01644	1.4
121.98207	0.5
128.06050	0.3
128.64934	0.3
129.06984	1.6
131.08572	4.1
133.10092	3.1
137.05949	0.5
138.98918	1.5
139.01794	8.4
139.99200	0.4
143.08504	1.8
143.96432	0.6
144.03221	0.8
144.92137	0.7
145.00743	1.6
145.10095	3.7
147.11691	0.6
157.10107	2.4
159.11668	0.7
163.01781	95.9
165.02246	0.5
171.11618	4.4
181.02832	100.0
184.09923	34.4
184.11195	0.6
185.10706	2.0
185.13255	2.6
185.97401	0.5
186.03378	23.7
199.14786	2.0
203.98468	0.4
204.04440	6.1
209.16487	3.6
227.15218	3.0
227.17653	36.7
246.08595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89279	0.6
53.69670	0.5
55.05499	5.9
55.42658	0.6
57.03413	0.7
57.07072	6.9
67.05476	1.3
69.07058	12.7
71.08593	4.0
79.05461	3.7
81.07023	3.5
83.08613	6.8
85.10155	1.2
93.07005	1.4
95.08582	4.6
96.07607	0.7
96.08105	9.8
97.06498	2.4
97.07563	0.8
97.10148	5.9
100.11235	20.0
104.47763	0.7
107.08550	3.3
109.10123	4.1
110.07188	0.7
111.08038	1.1
111.11693	1.0
113.10733	3.2
114.09138	11.4
115.07480	0.9
121.10085	3.9
125.09603	1.4
135.11624	2.9
139.11140	1.0
149.10693	0.7
149.13173	1.4
150.11504	1.0
153.12674	0.7
171.11575	1.1
184.09924	100.0
185.10741	5.2
191.17877	4.0
207.58821	0.8
209.16437	10.6
209.18896	2.9
227.15198	8.0
227.17470	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2321
Annotation	Halaminol C
Peak:m/z	Relative Intensity
57.07086	5.5
69.07028	0.6
71.08620	1.9
74.06069	1.2
81.03410	0.5
81.07039	0.6
85.10156	0.7
88.07623	7.5
95.08578	0.6
96.08107	0.9
96.21665	0.5
97.08450	1.2
100.11246	1.0
101.11593	0.8
102.09167	4.9
104.99276	10.0
111.26563	0.5
114.09133	0.9
115.09421	0.9
116.10707	3.6
160.64240	0.5
184.09935	0.9
185.10303	8.1
210.14955	0.8
210.16809	2.5
226.25983	0.5
228.15691	1.2
228.17964	11.8
228.23203	100.0
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
50.72402	1.3
52.95191	1.3
57.07055	9.1
60.04280	1.4
60.04523	24.7
65.21671	1.4
71.08615	3.4
74.85818	1.4
75.94389	1.7
79.54596	1.5
93.50272	1.5
101.16495	1.4
119.07140	1.4
126.12728	1.9
184.09927	10.1
185.10266	39.7
194.42328	1.5
210.16812	2.2
221.22668	1.5
228.15854	3.4
228.17865	8.6
228.23196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
57.03437	16.5
57.07068	1.9
59.04999	3.1
65.83155	1.6
67.05497	77.0
69.07072	1.7
71.04966	2.7
76.09993	1.8
81.07063	16.1
83.08601	10.5
85.06573	2.1
86.26640	1.9
91.05443	7.8
93.07010	4.3
95.08569	10.6
103.03883	2.3
107.08585	3.3
109.10138	100.0
111.08044	4.2
119.08566	10.7
133.10172	3.3
135.11780	2.0
137.09557	2.8
145.10197	2.1
147.11636	8.2
155.10643	8.4
159.11690	2.6
173.11711	15.8
173.13113	3.7
185.09740	1.9
205.98741	2.8
229.14163	30.0
229.16124	9.6
229.19405	16.4
246.09065	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Herbarumin I
Peak:m/z	Relative Intensity
55.05505	3.1
57.03435	17.8
57.07069	0.9
57.72614	0.3
59.05004	4.9
65.03962	0.4
67.05501	74.2
69.03430	0.5
69.07053	0.8
71.04983	3.4
78.86926	0.3
79.05475	0.9
81.07049	9.2
83.08615	8.4
85.06551	3.1
91.05470	4.0
92.16833	0.4
93.07049	3.2
95.04957	0.4
95.08585	6.0
99.08083	0.4
103.03954	0.9
107.08578	0.7
109.10146	100.0
111.08083	4.0
119.08566	6.7
120.70722	0.3
137.09573	4.2
155.10652	9.2
173.11707	22.2
187.97699	0.5
205.32072	0.5
205.98772	2.3
229.14294	39.8
242.02829	0.4
249.06953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05999	1.2
55.05495	2.7
57.03424	17.8
57.07043	1.2
59.04988	3.7
62.67039	1.4
65.44746	1.4
67.05491	63.5
69.02244	1.2
69.13892	1.3
71.05002	1.8
81.07039	8.8
83.08588	8.3
85.06486	2.3
90.94791	1.7
91.05470	2.2
95.08599	3.3
97.07631	1.8
109.10126	100.0
109.41494	1.5
110.07129	1.8
111.08047	2.9
113.96364	6.7
114.96228	1.6
116.96324	3.4
119.08567	7.2
124.08670	1.9
131.97351	1.9
134.97382	2.3
137.09579	6.6
143.99626	1.7
147.06656	2.0
149.08241	1.6
155.10616	2.5
161.08211	3.2
164.98404	34.3
173.11685	18.9
186.10510	1.6
187.99994	13.3
188.09273	9.3
189.10036	3.5
202.10791	2.8
229.11967	11.7
229.14294	31.1
229.16013	2.7
229.19504	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	229.1429
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.05489	4.6
57.03166	1.0
57.03428	15.0
57.07056	1.0
59.04983	4.9
61.33847	0.8
67.05489	73.0
69.07056	1.6
71.04964	2.0
79.05482	1.7
81.03403	7.3
81.07038	11.3
83.04968	1.4
83.08598	12.7
83.98933	0.9
84.62291	1.0
85.02905	3.5
85.06503	2.0
85.11765	1.0
91.05446	7.0
93.07021	6.1
95.04949	2.1
95.08578	11.8
96.08921	1.3
97.06473	0.9
100.63978	1.0
105.06995	1.8
107.08597	3.6
107.27702	0.9
109.10131	100.0
111.08040	4.6
118.08696	0.9
119.08530	9.7
121.10114	1.1
127.03841	1.9
129.06926	0.9
131.08562	1.1
133.10103	0.9
137.09538	3.8
140.56683	1.0
147.07997	1.0
147.11713	4.4
148.03822	1.0
155.10646	6.0
173.11696	17.1
183.03293	1.2
193.12155	6.4
194.16141	1.0
205.98766	3.2
211.13181	6.8
212.06483	42.4
229.06743	15.6
229.14209	38.9
229.19717	1.1
229.23502	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	229.1543
Annotation	Leucylproline
Peak:m/z	Relative Intensity
54.26384	0.2
56.96539	0.3
64.74936	0.3
66.79958	0.3
69.07058	1.3
70.06578	16.8
71.04985	0.3
71.56385	0.3
79.61119	0.3
86.09689	64.1
116.07066	100.0
125.67761	0.3
127.03944	0.3
145.96609	0.4
146.91783	1.2
205.98679	0.7
229.15443	13.9
229.17714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1542
Annotation	Pro Ile
Peak:m/z	Relative Intensity
58.06586	2.5
59.07364	0.3
60.08154	5.3
68.05012	0.2
70.06574	11.5
70.26158	0.2
72.08128	0.2
73.15405	0.2
74.05371	0.2
96.08127	0.3
98.06001	0.2
101.72042	0.2
103.01624	0.2
114.05479	2.2
114.09110	0.3
116.07018	0.4
124.07572	2.6
126.09103	0.3
133.81015	0.2
141.36954	0.2
142.08601	23.0
166.28972	0.2
170.08086	1.9
183.11195	0.2
229.15411	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	230.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21615	0.8
66.41431	1.2
66.92477	1.1
69.07055	1.6
70.06578	24.5
71.06908	14.0
80.98066	0.9
86.09687	79.1
87.09460	3.2
87.10017	51.7
90.29410	1.1
95.09106	1.1
101.05939	1.1
116.07064	100.0
117.07407	80.7
146.05968	1.6
147.06325	1.5
184.07982	1.1
184.09488	3.0
184.20483	2.1
206.98407	1.4
230.11682	1.8
230.15814	18.7
230.18100	1.5
230.21074	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	231.1222
Annotation	Piscrocin E
Peak:m/z	Relative Intensity
55.01863	4.4
55.05500	16.3
57.03430	9.1
58.21373	1.1
61.96696	0.9
64.13841	0.9
65.82432	1.1
67.05488	1.9
69.03406	2.4
69.07049	18.4
69.83341	0.9
71.04978	1.6
72.20715	0.9
79.05490	2.2
81.07052	1.3
82.79734	1.0
82.96107	1.3
83.08604	100.0
87.08079	1.0
88.10298	1.0
93.07030	6.0
95.08576	6.1
97.06511	1.4
111.08062	39.0
111.98142	1.0
121.06467	1.5
129.09079	6.0
139.07530	6.6
142.26295	1.1
148.97340	1.9
157.08562	17.0
175.09610	38.0
185.13142	1.1
204.01799	1.2
213.11084	18.9
213.12695	1.4
228.91089	1.1
231.12169	27.7
231.14044	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	231.17
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
55.05517	6.5
56.71665	0.3
57.07070	1.6
72.08154	100.0
83.06107	0.8
84.04501	1.4
85.06586	0.6
86.09702	42.8
87.10046	0.3
101.07172	0.3
112.89786	0.4
116.07149	0.7
118.07455	0.3
118.08643	0.5
129.06613	1.3
129.59241	0.3
130.05014	5.8
130.06543	0.4
132.10197	5.4
141.71382	0.3
146.05978	0.4
147.07693	2.2
148.06735	0.3
160.07539	0.3
185.07146	3.2
185.16486	2.5
187.08701	0.7
189.14334	0.3
216.34090	0.3
218.32861	0.3
231.07645	7.6
231.11482	1.3
231.13628	0.4
231.17067	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	232.1692
Annotation	Rotundine A
Peak:m/z	Relative Intensity
54.59101	0.1
56.96560	0.2
62.98980	0.1
63.87466	0.1
72.74788	0.1
78.87116	0.1
84.27319	0.1
98.97585	0.2
113.96402	0.2
118.06514	0.6
131.00131	0.2
132.08081	2.8
134.09616	0.5
144.08020	0.3
145.08784	0.2
149.01189	0.8
149.96069	0.3
149.98619	0.1
158.09612	1.3
159.10361	0.3
161.84946	0.1
167.97154	0.2
168.31128	0.1
174.12741	100.0
176.10558	0.2
190.98747	0.9
191.02208	0.5
206.38704	0.1
232.16898	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	233.0803
Annotation	Ancistronaphthoic acid A
Peak:m/z	Relative Intensity
50.08722	3.0
50.40474	2.3
51.72983	2.5
62.84945	3.1
72.04499	4.2
79.05486	4.2
81.07054	7.5
81.35169	3.1
91.05506	4.4
92.16769	5.1
93.07014	6.2
95.08588	6.3
100.07590	5.9
105.07030	4.8
107.06082	3.5
107.08576	7.6
109.06520	3.4
117.06962	5.3
119.08573	6.7
121.10074	5.8
129.06960	52.5
129.07782	4.8
131.08556	17.9
132.95827	5.2
145.06441	5.9
145.10127	4.5
146.07164	3.9
148.11258	4.1
150.96864	7.0
155.04877	6.6
157.06474	27.0
158.07213	7.1
159.11646	5.5
162.85558	3.2
173.06009	13.5
173.09550	6.1
174.06721	94.6
175.07521	23.6
175.11137	4.4
183.04355	4.5
187.07520	48.1
189.09085	85.7
190.98772	4.0
191.97107	6.2
205.04941	8.1
205.99344	3.1
215.06987	39.6
215.14331	5.9
215.17711	4.7
233.08012	100.0
233.09793	5.1
233.15363	22.8
233.18816	6.4
245.95052	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	233.0803
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.01854	4.1
58.06590	3.6
66.85831	2.4
79.05463	2.7
81.07036	3.7
90.94847	2.9
91.05449	3.4
93.07019	5.1
95.08559	3.9
103.05435	10.6
105.06989	3.9
107.08535	2.9
115.05411	9.5
117.07024	3.6
119.08552	5.5
129.06963	12.9
131.04918	4.0
131.08548	3.9
132.08170	2.6
132.95787	5.2
133.06464	11.9
135.08023	4.1
140.90341	2.4
144.05695	26.7
145.06454	77.4
145.10068	4.5
146.03647	4.4
147.04396	20.4
149.96043	5.0
150.96877	12.4
155.04900	2.6
157.06413	6.2
159.08052	5.5
159.11656	3.5
161.05913	4.5
162.06728	22.7
163.07448	5.3
172.05144	12.0
172.90717	2.6
174.06721	12.0
175.11235	4.6
176.04657	15.1
183.04353	4.6
187.07504	46.6
189.09091	10.9
190.98724	4.9
191.97113	10.7
200.04706	3.6
205.08626	4.1
215.06967	100.0
233.07965	31.1
233.11641	2.9
233.15399	12.1
233.18898	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	233.1492
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05041	11.5
58.06606	1.7
59.97694	1.2
61.01145	1.6
72.08157	5.2
72.93771	2.1
74.06070	100.0
74.09665	1.2
78.31874	1.3
84.04495	6.0
86.09685	22.7
86.75775	1.1
90.94807	6.2
92.42910	1.3
95.04964	1.4
95.08591	1.3
101.07079	1.7
104.10728	3.3
121.10080	1.7
131.97380	1.6
132.10190	17.8
132.95818	66.5
134.08119	2.6
135.11588	1.4
149.96074	21.1
150.96872	69.7
160.07506	2.0
165.21710	1.4
167.97122	9.6
170.11758	2.4
173.96036	3.1
173.98407	1.8
187.08682	2.6
187.14415	11.3
190.98741	11.9
191.97128	60.7
202.48672	1.4
209.98227	18.5
214.98712	2.6
215.13887	6.8
215.15782	1.5
233.14977	15.5
237.47610	1.5
241.90656	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	234.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07407	0.3
54.99178	0.2
55.55138	0.3
57.14481	0.3
61.01141	0.5
65.03931	0.3
70.06609	0.4
72.08151	0.4
78.03434	0.3
79.04220	0.5
80.05003	1.2
81.07042	0.3
84.04462	0.4
91.04833	0.3
92.04978	10.1
95.06040	1.2
96.04503	0.3
105.04500	100.0
107.06067	2.8
112.05105	2.2
120.05562	12.1
121.03993	0.5
122.07109	1.3
123.05522	0.7
132.05501	2.2
132.95818	1.3
144.06583	0.4
148.05028	15.7
148.97160	0.5
150.96840	0.5
152.65431	0.3
162.03391	0.5
168.04349	0.3
192.97459	0.7
198.15852	0.3
198.18579	0.4
210.97078	0.4
218.13905	0.4
234.09807	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	234.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30133	0.5
55.05492	0.6
57.07074	3.6
59.04997	3.6
59.30208	0.5
66.73565	0.5
67.05491	2.6
69.07063	2.3
72.04510	8.9
72.08142	0.7
73.02922	0.6
75.04482	1.2
82.19704	0.5
83.48016	0.5
85.06541	7.4
86.09694	1.0
87.04468	5.8
88.03982	12.5
90.05542	4.1
91.05450	1.1
95.04961	3.6
98.02417	3.3
98.06054	0.8
102.79001	0.5
103.07590	4.9
104.07101	100.0
111.18757	0.5
113.05991	1.2
114.05534	0.6
116.03436	4.2
124.07574	7.8
130.04984	6.0
131.07022	0.7
132.95825	0.8
142.08604	4.0
144.02344	0.6
151.46419	0.6
160.09702	2.1
166.08658	0.8
168.63976	0.5
174.11246	1.1
184.09711	5.3
198.11252	3.0
202.10725	9.2
216.12305	10.8
234.13313	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	235.144
Annotation	p-Coumaroylputrescine
Peak:m/z	Relative Intensity
53.29486	0.2
57.07068	0.4
57.89657	0.2
66.90778	0.2
67.05490	0.3
72.08154	9.5
75.88712	0.2
81.07033	0.9
84.80565	0.2
86.09718	1.8
89.10782	7.4
89.70663	0.2
91.05484	1.7
95.04945	0.3
95.08617	0.3
98.06019	0.5
103.05368	0.2
107.08566	0.5
108.86857	0.2
115.08660	1.0
116.64586	0.2
116.74646	0.2
119.04928	4.2
119.08545	0.3
122.52342	0.2
130.06516	4.2
133.10175	0.3
137.09602	0.2
146.06004	6.8
147.04393	100.0
157.07613	1.4
157.10013	0.3
158.05988	31.8
175.08633	1.7
176.07155	0.3
179.10670	0.2
217.09744	3.5
218.11728	11.8
235.10875	0.4
235.14413	13.5
235.16737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	Gajutsulactone B
Peak:m/z	Relative Intensity
52.59714	0.9
55.05497	1.2
57.07051	1.5
58.06593	1.1
67.05499	17.4
69.07054	2.4
79.05487	16.8
81.07027	8.1
83.08593	2.2
86.09690	100.0
91.05450	23.6
93.07027	97.6
95.04937	10.1
95.08593	8.8
98.18681	1.1
105.04527	1.6
105.07013	2.8
107.08583	17.5
109.10145	2.5
119.08552	6.2
121.10119	16.8
124.43704	1.1
131.08537	2.1
133.10112	6.6
142.10841	1.2
143.08560	1.5
147.04366	8.9
149.13261	1.3
151.11252	1.4
157.10019	1.5
161.04135	2.0
175.14777	2.1
179.10577	1.8
189.16367	1.7
199.14839	2.1
208.18867	1.3
235.05882	11.2
235.11484	7.7
235.17014	15.8
252.66696	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	235.1689
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
55.05504	3.0
56.64935	0.5
57.07064	0.8
57.78935	0.5
58.06587	2.3
59.26940	0.5
67.05495	7.2
69.07056	2.2
73.06040	0.6
79.05476	11.9
80.85961	0.6
81.07047	10.2
83.04980	1.2
83.08577	0.8
85.06527	0.9
86.09690	100.0
91.05467	6.5
93.07021	19.0
95.04979	1.3
95.08581	8.1
97.06503	0.7
105.07003	3.2
107.08572	14.3
109.06522	0.7
109.10124	3.4
117.07009	2.5
118.06434	0.5
119.08543	7.5
121.06494	0.7
121.10115	17.5
123.08021	0.9
123.11608	0.7
129.06955	1.3
131.08537	4.9
133.10092	6.3
135.08003	1.0
135.11681	4.6
137.09549	0.7
143.08525	1.2
145.10092	1.0
147.11626	1.4
157.10097	2.4
159.11642	0.8
171.11647	1.3
171.99634	0.9
173.13301	1.3
175.07513	0.9
175.14780	3.9
189.12518	0.7
189.16341	2.7
199.14796	3.5
217.15840	4.7
227.05341	0.7
235.09573	1.1
235.16986	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	236.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06555	0.9
60.04518	3.9
61.01139	5.9
61.02917	0.9
69.03422	3.8
71.05000	0.9
74.06071	1.9
84.04485	1.1
85.06530	1.4
86.06059	1.9
86.09683	11.9
87.04453	4.1
87.10003	0.9
88.03976	6.3
93.26875	1.1
98.09673	2.2
98.97599	1.1
100.11237	4.5
104.07109	12.2
106.05010	12.2
112.11179	1.6
120.08009	1.5
131.06874	0.9
132.10208	1.2
133.68443	0.9
134.33522	1.0
136.06149	2.2
152.95155	2.1
153.95920	4.3
159.06247	1.8
168.98201	2.2
172.09673	1.1
172.13275	12.9
177.07462	1.0
182.16141	1.1
182.96164	1.1
190.10744	4.1
190.14343	100.0
194.96106	2.2
212.97218	7.6
218.10217	3.7
218.14005	1.5
236.11342	1.8
236.14893	59.5
236.17696	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	236.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18859	0.3
51.11670	0.3
51.34451	0.3
54.60936	0.4
58.06587	1.7
60.77413	0.4
62.19873	0.4
62.97462	0.4
74.53310	0.4
86.09686	100.0
87.09421	3.7
87.10015	52.2
203.90800	0.5
236.18323	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	237.0867
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
50.82765	0.2
55.05498	0.8
57.07065	0.4
67.05500	0.3
70.33549	0.2
71.04972	0.2
71.08590	0.2
71.91219	0.2
74.02047	0.4
74.02438	7.0
81.07059	0.5
83.08602	0.5
91.05474	0.4
92.16772	0.3
93.07027	0.8
94.06561	0.3
95.04904	0.2
95.08579	1.2
97.10220	0.2
98.97571	1.3
105.07003	0.2
107.08574	0.3
109.10184	0.3
110.07164	0.3
111.08202	0.2
116.98631	1.1
118.06575	0.2
119.08578	0.4
121.10117	0.9
128.04912	0.8
130.06525	0.4
131.08553	0.2
132.04434	0.8
134.99670	0.4
135.11688	0.5
146.06007	100.0
148.03926	0.4
149.97136	0.3
150.05811	0.3
154.94231	0.3
157.07581	0.3
158.05995	1.0
159.11707	0.2
173.07121	0.4
174.05579	0.2
175.08623	0.3
191.08154	1.0
191.14700	1.0
194.99904	0.4
213.94099	0.8
219.07672	1.2
225.67986	0.2
237.04953	0.2
237.08719	5.8
237.12415	0.5
237.15163	0.3
237.18413	0.4
237.22133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1232
Annotation	3061-90-3
Peak:m/z	Relative Intensity
50.27719	0.5
53.10432	0.5
55.05506	0.7
57.07092	0.6
68.49582	0.6
69.07066	0.7
71.76950	0.6
74.02431	4.0
79.05436	0.7
81.07055	1.0
91.05476	0.8
91.58344	0.6
94.06551	2.8
95.08633	0.7
100.32951	0.6
107.04940	0.9
107.08607	0.8
118.06531	4.2
120.04430	3.3
120.08096	100.0
121.10131	0.7
122.05988	0.6
130.06503	2.9
131.04913	2.5
131.07365	0.8
136.07582	8.5
146.06006	85.6
148.03874	5.4
149.05946	3.7
150.05469	1.3
154.23994	0.8
157.07590	5.6
158.06024	1.1
164.07137	1.3
166.08618	76.1
172.98787	0.7
174.05498	10.4
177.03352	1.0
191.08269	4.8
191.11804	4.7
192.06544	4.8
202.05000	3.5
203.08189	5.4
219.02863	1.2
219.21002	1.2
220.06021	1.4
237.03979	4.6
237.08897	5.3
237.12437	8.4
237.22125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
50.77078	1.3
52.14274	1.2
55.05501	2.6
57.07087	1.7
67.05499	33.8
69.07054	3.1
71.08627	1.7
79.05481	6.4
79.21078	1.3
81.07045	100.0
83.08611	6.2
93.07035	7.8
95.08588	91.7
107.08558	7.2
109.10141	36.7
119.08583	3.3
119.19479	1.6
121.10106	7.0
123.08051	1.7
123.11691	7.2
131.96086	1.7
133.10188	2.1
135.11667	7.8
149.61154	1.7
154.97708	2.9
181.12270	1.9
201.16251	1.6
219.17467	2.0
236.14813	1.8
237.13028	2.4
237.18433	26.0
237.23270	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	239.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34467	0.3
53.82102	0.2
61.01143	3.5
62.75613	0.3
67.12577	0.3
101.00853	1.5
110.68006	0.3
119.00089	1.3
119.01873	3.0
120.74332	0.3
135.43324	0.3
136.07585	0.7
137.00165	0.5
137.01158	8.8
138.28064	0.3
145.98769	0.6
155.02228	2.6
160.99791	0.5
161.01111	11.5
163.99834	6.2
179.02184	100.0
182.00876	1.1
193.03699	0.3
197.03253	13.0
202.03763	0.4
214.49666	0.3
227.51683	0.3
239.02499	3.7
239.10176	0.4
246.51479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1271
Annotation	Stachyline D
Peak:m/z	Relative Intensity
55.05499	8.3
57.03427	4.8
57.07051	18.4
59.85312	3.9
67.05480	9.6
69.03415	48.8
69.07046	6.4
71.04955	8.4
71.08560	4.3
75.01083	3.8
79.05470	18.3
81.03407	37.4
81.07034	46.0
83.04949	22.8
85.06474	4.3
89.05997	100.0
91.05451	18.3
93.07021	61.8
95.04945	23.4
95.08577	19.9
97.06504	17.9
99.04428	6.1
105.07008	19.2
107.08566	43.3
109.02883	9.4
109.06464	47.3
109.10135	9.1
109.75167	4.7
111.08025	7.4
119.04905	17.6
119.08543	9.0
121.06458	28.9
121.10094	6.6
123.08031	30.5
133.06487	5.6
133.08586	32.0
133.10092	66.7
135.08089	9.9
135.11671	19.2
136.08781	7.5
137.05984	25.8
137.09616	9.7
145.02802	5.3
147.04359	73.7
147.11671	20.0
151.03894	7.4
151.11218	8.3
157.10135	8.8
161.05962	7.4
161.09538	49.9
165.05441	43.0
175.11116	49.3
177.05426	16.8
179.10611	67.7
193.08560	21.2
193.12163	24.9
203.10651	24.0
205.69331	4.2
221.08095	5.1
221.11664	18.7
231.76941	4.0
239.05026	4.1
239.12570	76.3
239.17828	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	239.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05500	2.1
57.07082	1.4
59.04996	1.6
61.02908	1.1
67.05480	1.4
67.18335	1.0
69.07066	1.6
71.08630	1.1
79.05476	1.6
81.07067	4.2
83.04987	1.6
89.06012	4.9
91.05482	6.3
93.07040	19.7
95.04959	1.8
95.08580	4.9
97.06499	2.8
99.08027	1.1
99.15405	1.2
105.07016	8.6
107.08586	36.1
109.06499	2.4
109.10146	4.7
113.06052	1.2
119.08569	4.5
121.06474	9.6
121.10126	2.0
123.04424	1.2
123.08043	2.7
123.11723	1.6
125.05987	2.3
125.09546	1.3
127.11194	1.1
130.46913	1.2
133.10123	52.6
135.11667	30.5
137.06003	1.3
137.09589	2.4
151.11148	7.0
161.09586	41.0
175.11227	1.5
179.10643	100.0
193.15894	6.9
221.15396	6.2
239.12672	8.2
239.16222	2.1
239.18152	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1274
Annotation	Stachyline D
Peak:m/z	Relative Intensity
55.01861	2.4
55.05500	4.7
56.79786	1.8
57.03414	2.6
57.07065	4.2
59.04987	2.8
62.35781	1.8
67.05490	9.2
67.09281	2.1
69.03093	3.1
69.03426	45.1
69.07053	8.3
71.04978	3.9
79.05477	13.3
81.03410	27.9
81.07059	24.7
83.04977	16.0
83.08600	3.3
89.06019	24.2
91.05465	25.3
93.07028	67.3
95.04971	21.2
95.08602	9.3
97.06499	7.9
99.04429	11.6
105.04486	2.6
105.07000	17.6
107.04907	3.0
107.08561	35.4
108.09377	2.1
109.02857	9.6
109.06496	40.0
109.10132	4.9
110.07279	3.2
110.30313	2.3
111.04401	3.1
111.08061	10.3
113.05972	3.6
117.06946	3.1
119.04919	16.1
119.08599	15.8
120.50105	2.1
121.06479	20.8
121.10106	8.6
123.04388	5.1
123.08038	24.2
123.11718	4.0
127.03891	3.6
131.08569	3.0
133.06480	11.2
133.08551	4.6
133.10103	55.3
135.08075	9.7
135.11665	5.3
136.08846	4.9
137.05965	22.0
137.09624	13.7
138.10300	7.6
143.08653	2.9
147.04391	85.5
147.11658	19.1
149.06015	3.7
149.09598	4.0
151.03827	16.0
151.07545	3.2
151.11133	10.2
155.03383	2.9
156.97632	2.5
157.10118	14.8
159.07997	2.6
161.05986	11.1
161.09589	52.3
165.05437	60.0
175.11147	58.5
177.12715	3.4
179.10634	79.1
193.12212	15.8
197.07954	3.8
203.10677	19.0
208.46814	2.3
221.11673	12.7
222.11507	2.3
238.52000	2.1
239.12694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.7
56.05024	1.8
57.07065	100.0
57.37857	1.3
59.06115	1.3
67.05493	30.4
69.07056	17.7
71.08617	63.1
76.87206	1.4
79.05468	2.8
81.07036	35.1
83.08600	20.8
85.06530	1.6
85.10164	31.1
89.06010	10.1
95.06032	2.0
95.08582	53.8
96.05604	3.6
97.10156	6.6
99.75592	1.3
101.07122	2.6
109.10121	23.4
112.08710	1.5
113.08213	24.3
123.11682	6.4
133.08578	2.0
136.08737	1.4
137.08199	30.9
138.06642	2.7
138.10213	2.2
155.09251	32.2
161.08182	24.7
179.09232	55.8
182.81403	1.4
193.58737	1.6
197.10289	34.8
239.14360	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	239.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.9
55.05505	14.7
57.07068	100.0
59.06119	1.9
67.05187	2.1
67.05492	29.0
69.07059	17.0
69.74438	1.2
70.06578	1.8
71.08251	2.3
71.08617	64.6
72.08118	1.7
79.05463	1.5
81.07039	33.6
83.08607	22.8
85.06470	3.0
85.10167	29.1
87.60512	1.8
89.05994	7.6
95.08578	58.7
96.08107	2.3
97.07608	1.8
97.10136	7.3
98.07119	1.8
99.08075	2.2
101.07136	2.3
109.10121	17.7
110.07151	3.1
111.09193	2.2
113.07081	2.2
123.11676	7.7
137.08167	3.6
151.09685	2.0
155.09297	2.4
161.08163	1.5
179.09215	10.6
197.10313	2.0
198.18527	7.0
221.10428	1.9
222.13618	1.7
239.14804	6.7
239.18253	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	239.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.0
55.05506	12.6
57.03421	1.1
57.07067	100.0
67.05493	30.4
69.07056	15.8
71.08617	64.8
71.09016	1.8
79.05463	1.7
81.07043	35.4
83.08601	19.0
85.06524	1.5
85.10166	30.6
89.06020	1.2
93.07024	1.9
95.04942	1.4
95.06112	1.3
95.08583	52.9
96.05572	2.3
97.07699	1.3
97.10146	7.4
99.07986	1.1
109.10133	18.7
113.08225	16.9
123.11655	4.0
137.08199	26.6
138.06578	1.3
155.09254	25.0
161.08192	14.8
179.09232	42.0
197.10297	24.3
198.18544	1.7
239.14452	1.3
239.17900	1.6
239.23930	1.2
246.32002	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	241.0703
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
54.93110	1.4
57.03421	2.5
58.49039	1.5
65.03937	6.2
66.69996	1.6
67.05479	2.9
69.03429	2.0
69.07053	7.2
71.04973	2.1
73.02891	9.6
79.05487	2.1
81.07059	2.7
83.04957	7.1
84.08103	7.3
93.03393	11.9
93.07019	1.9
95.04932	10.2
95.08587	6.8
95.90222	1.8
97.06537	2.8
98.97571	19.7
99.04440	6.4
107.04906	2.9
107.08546	3.6
109.06479	2.8
109.10149	3.7
110.03609	1.9
111.04420	28.1
116.98592	11.3
121.02831	2.4
121.06466	11.7
121.10090	4.0
123.04408	9.3
125.05975	32.0
134.99623	4.0
135.04425	4.3
135.07993	3.3
137.05971	3.1
137.09682	2.0
139.03891	3.0
139.07504	2.0
141.05356	2.8
149.05954	22.8
149.09607	3.5
151.03883	81.3
153.05446	33.8
159.11612	2.3
160.70226	1.8
167.06966	6.9
169.04900	10.8
177.00516	3.0
177.01811	7.6
177.05446	4.0
177.09116	2.9
181.04880	7.5
181.08553	1.7
193.04909	11.6
195.02872	99.3
195.06401	7.9
197.04417	18.8
205.04930	17.3
223.05971	100.0
223.09387	2.5
241.06990	85.6
241.15457	11.3
241.21544	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	241.1066
Annotation	CMPF
Peak:m/z	Relative Intensity
50.47276	0.6
55.01864	4.0
55.05502	0.7
55.07458	0.7
57.07058	1.3
65.03941	0.7
67.05499	1.7
69.07049	1.1
71.04980	1.0
71.08619	0.6
71.81484	0.6
73.02908	30.5
74.32843	0.6
77.89130	0.9
79.05474	0.8
80.05828	0.7
81.07037	1.6
85.68651	0.6
91.05456	2.9
93.03408	1.1
93.07034	3.0
94.97517	0.6
95.04945	9.1
95.08583	3.2
97.06514	1.0
98.97581	3.3
99.04447	10.5
99.08080	0.7
105.07008	0.9
106.26626	0.7
107.04966	0.9
107.08578	1.5
109.10130	1.3
110.03640	8.2
111.04439	7.0
116.91405	0.7
116.98598	1.0
117.05458	10.7
119.04930	0.9
119.08554	0.9
121.06468	7.2
121.10114	1.6
123.04415	13.2
123.08051	1.4
123.11707	0.7
125.05975	27.0
131.08521	0.9
137.05998	0.9
137.09674	0.8
139.07520	1.4
139.11125	1.4
139.74583	0.8
143.39839	0.8
145.10156	1.5
147.07906	1.1
149.05946	4.1
149.09492	0.8
149.13237	0.8
151.03886	100.0
151.04858	3.5
151.07512	33.3
151.08743	1.1
157.59016	0.9
159.11794	1.1
163.11232	1.2
169.08563	8.4
179.07007	6.3
181.08455	1.0
186.20992	0.8
193.08611	0.8
195.06503	53.9
205.12105	0.8
223.06206	0.9
223.09669	18.9
223.13145	1.1
241.10681	27.3
241.13174	1.1
241.15720	2.8
241.21529	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	241.143
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
50.00346	1.2
55.05496	7.1
57.07056	5.7
58.91662	1.4
59.04996	2.7
60.02680	1.2
64.24278	1.2
67.05493	5.8
68.38434	1.2
69.03423	37.6
69.07060	18.6
81.07065	13.2
83.04967	17.8
83.08624	10.9
85.06524	14.8
87.04483	11.4
91.05421	1.3
92.17410	1.7
93.07027	23.4
95.04943	1.7
95.08585	13.9
97.06504	8.2
98.97568	100.0
99.08072	6.5
101.05992	10.4
107.08591	7.3
109.06498	1.8
109.10130	6.0
111.04453	1.4
111.08064	35.7
115.03908	8.2
115.07552	5.6
116.46812	1.3
116.98608	51.1
117.06994	1.3
119.08553	1.9
121.06487	2.3
121.10101	5.5
127.07507	1.4
129.05440	19.7
129.09097	22.7
133.10123	7.8
134.99635	15.9
135.11684	8.4
139.07520	10.5
140.00140	10.2
143.07010	8.2
149.13214	2.9
151.11150	5.6
153.12695	1.5
157.08553	24.2
158.01244	12.1
158.99597	1.8
159.01617	1.3
159.11690	9.1
177.00679	14.8
177.12675	10.5
185.07971	2.3
195.01756	6.8
195.13815	14.4
205.12140	1.8
223.13293	5.4
241.14258	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	241.1427
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
50.43431	1.0
55.01843	1.5
55.05507	10.2
57.07055	7.0
59.04985	2.4
65.98472	1.2
67.05487	6.2
69.03069	2.2
69.03419	51.3
69.06712	1.5
69.07058	34.1
71.04971	1.8
79.05484	2.3
81.07047	24.5
83.04490	2.4
83.04965	31.0
83.08607	18.9
85.02881	1.4
85.06064	1.5
85.06535	22.6
87.04456	18.7
91.05453	2.8
93.07026	38.8
95.04935	1.5
95.08592	27.7
97.06531	10.1
97.07027	1.3
98.97601	1.5
99.08082	12.8
101.06008	14.1
105.07002	1.4
107.08591	10.7
109.06503	5.4
109.10123	8.3
111.04377	2.2
111.08064	61.8
115.03893	15.8
115.07549	9.2
117.06999	1.9
119.08529	6.8
121.06456	9.3
121.10103	8.9
126.32297	1.2
129.05458	30.6
129.09094	41.6
133.10089	10.7
135.08000	3.1
135.11659	17.1
137.09564	2.6
139.07532	15.5
143.07030	18.8
144.12097	1.3
149.05965	2.2
149.13271	9.1
151.11116	9.1
157.04916	2.3
157.08578	34.3
159.11620	13.9
177.05435	5.7
177.08939	1.1
177.12703	15.5
183.10190	1.9
185.08020	2.9
195.13759	26.6
199.09673	1.5
205.12238	2.4
218.25920	1.3
223.09525	2.4
223.13235	8.3
241.14279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1542
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
57.00903	0.2
58.06589	4.3
61.46023	0.2
61.69564	0.2
63.09856	0.2
70.06568	0.3
78.58014	0.2
80.91143	0.2
84.08129	2.3
98.09699	0.3
104.20599	0.2
114.20898	0.2
128.10693	2.3
144.10167	0.8
168.10110	0.3
196.09633	3.3
199.62062	0.2
216.24146	0.2
241.15410	100.0
248.09663	0.2
263.73065	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	241.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.3
57.07064	0.7
60.20554	0.5
61.17302	0.5
62.52246	0.5
67.05499	1.1
69.07048	3.9
79.05466	1.0
81.07016	4.2
83.08593	1.2
83.51852	0.5
84.00859	0.5
90.14471	0.5
91.05460	0.9
93.06995	4.3
95.08598	5.4
105.07011	4.4
107.08556	3.8
109.10130	3.8
111.04425	2.2
117.06981	0.9
119.08562	5.8
120.18185	0.5
121.10117	2.2
123.11678	1.0
129.06924	2.1
131.08568	2.9
133.10107	4.7
135.11633	3.0
142.07764	0.7
143.08531	12.3
145.10100	5.9
147.11604	6.2
149.13240	1.4
155.08592	0.6
157.10071	12.4
159.07930	0.8
159.11658	5.7
161.13203	2.2
165.06941	0.9
166.12086	0.6
167.08537	3.2
169.10110	2.1
171.11621	8.5
173.13249	2.4
181.10054	1.4
183.11667	2.5
185.09579	11.3
185.13206	12.4
195.11577	5.2
197.13202	3.2
198.13979	1.3
199.11143	6.6
199.14763	9.8
200.23703	0.9
212.15503	1.2
213.12698	1.0
213.16393	3.6
223.14760	2.3
241.12233	7.1
241.15799	25.8
241.19455	100.0
246.76131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.4
57.07076	0.9
66.05474	0.8
67.05122	1.2
67.05486	28.1
67.68649	0.9
69.07040	4.8
71.04930	0.7
77.00607	3.3
79.05473	12.0
80.69217	1.3
81.07039	31.2
83.08616	7.2
91.05449	8.3
93.07014	28.1
95.04945	1.2
95.08578	32.4
97.10114	1.3
98.97557	1.2
99.08150	0.9
101.67120	1.3
105.07004	55.1
107.08567	36.0
109.10125	16.1
116.98633	1.4
117.07001	3.6
119.08540	13.6
121.10114	13.1
123.11683	3.7
124.23518	0.8
131.08524	42.1
133.10069	13.0
135.11658	8.1
143.08511	11.3
145.10078	17.7
147.11647	25.0
147.15765	1.0
149.13217	4.0
157.10072	24.8
159.11615	9.8
161.13225	6.4
171.11679	6.4
173.13268	11.6
175.14709	7.4
176.90181	0.9
181.12050	1.2
182.05951	0.9
185.13217	11.9
187.14677	1.2
191.17874	4.7
199.14719	7.2
200.61082	1.2
213.16313	25.7
241.13623	2.2
241.16141	50.7
241.19450	100.0
251.58002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0807
Annotation	N-Benzoylanthranilate
Peak:m/z	Relative Intensity
53.03929	0.6
57.10569	0.4
82.81506	0.5
92.05010	1.7
95.04936	4.1
105.03368	100.0
118.96704	1.2
120.04430	61.6
126.51289	0.4
130.34819	0.5
132.92986	0.5
133.99083	0.6
142.15878	0.5
177.98042	2.3
224.07153	0.6
231.80540	0.5
242.18939	0.5
242.28429	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	242.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.5
57.07055	3.9
57.90884	1.0
58.80558	0.9
71.08601	1.7
74.06079	20.3
85.73176	0.9
95.08599	2.0
96.60061	1.1
104.10734	5.9
118.96727	9.5
123.11620	1.0
133.99083	2.7
154.96388	1.2
157.99117	1.1
159.96996	5.4
177.98033	19.6
186.75235	1.1
200.23686	6.0
200.99736	2.0
201.03308	1.4
236.07634	1.3
242.24738	100.0
242.28612	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	243.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17421	2.2
50.65074	2.4
59.44360	3.0
73.31455	2.9
119.01891	13.7
125.68746	3.1
125.87752	2.9
142.03484	16.8
143.03545	3.2
153.13606	3.6
160.04518	88.9
178.05598	20.7
179.02202	18.1
193.08878	3.6
198.82918	3.1
219.01930	20.9
220.02118	38.5
222.77379	2.8
225.02534	4.8
243.01808	3.5
243.07158	3.3
243.62280	3.3
261.02951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0861
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.46194	2.0
54.08472	2.4
55.93511	2.2
59.03756	2.7
61.02921	11.1
63.51557	2.7
65.03938	3.9
67.05494	10.8
69.75719	2.6
72.93787	5.2
79.05476	3.5
79.89916	2.8
81.07051	12.8
85.06532	4.7
90.94798	3.9
91.05452	12.6
95.04936	13.0
95.08601	11.5
97.06544	4.1
105.07030	4.0
107.04981	3.9
109.06510	15.8
113.05984	2.9
114.09145	76.6
119.04947	3.7
122.01548	3.2
123.04440	20.0
123.08089	4.3
125.05967	11.3
133.02829	11.2
135.04309	5.2
137.05971	27.3
137.09616	3.7
140.04665	100.0
145.45563	3.0
145.96597	6.1
147.04485	3.1
149.96017	10.3
150.96806	3.6
151.03918	21.1
155.06998	80.3
155.89798	3.1
161.96085	3.8
165.05417	23.3
169.04947	6.9
179.06975	13.0
180.04129	17.4
181.04929	88.8
181.06413	5.0
183.06519	4.0
191.97112	4.7
193.04929	29.2
195.06483	16.3
207.06487	25.8
208.13205	4.4
219.96680	6.1
225.07559	21.6
243.08560	19.0
243.17323	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	243.0871
Annotation	Lumichrome
Peak:m/z	Relative Intensity
51.56509	0.3
52.67297	0.3
59.07483	0.2
64.07697	0.3
67.98843	0.3
68.78988	0.2
73.51572	0.3
95.08572	0.4
100.52725	0.3
103.05421	0.5
109.10176	0.3
110.12080	0.3
112.14190	0.3
114.09148	4.9
123.11666	0.3
142.07217	0.3
145.07549	0.3
172.08646	27.0
174.10228	0.5
190.09700	1.3
198.06566	4.4
200.08145	6.3
216.07623	29.1
218.09132	0.5
243.08693	100.0
243.17299	1.4
244.07088	1.7
253.83723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17781	0.5
56.05028	1.1
62.58778	0.5
67.05491	1.1
69.03415	0.5
69.07050	1.0
71.05001	0.8
72.08136	0.8
79.05470	1.1
81.07046	3.4
83.04971	0.5
84.04501	76.0
86.09700	100.0
91.05509	0.7
93.07050	0.8
93.84074	0.6
95.04976	1.1
95.08600	4.8
105.07014	2.6
105.78782	0.6
107.04955	3.3
107.08633	0.9
109.06491	0.6
109.10125	0.9
113.07133	0.6
114.09152	0.9
119.08591	3.5
120.04404	1.0
121.10151	4.7
123.08049	10.3
125.05997	0.8
129.06613	3.5
132.10193	47.7
133.10133	3.3
135.11734	1.2
137.06094	1.2
137.07076	7.9
140.04669	2.8
141.06612	3.6
141.09100	0.9
149.02318	2.9
151.07568	1.3
152.10695	0.9
155.07011	1.0
159.11684	0.7
161.09605	3.2
163.11148	2.3
165.09077	1.2
169.04895	0.9
179.10637	2.5
181.04967	0.9
181.12228	2.4
189.09167	0.8
197.07289	0.6
197.12836	32.3
207.10168	2.4
215.07063	2.9
225.11081	8.1
226.18079	0.6
243.06548	0.7
243.13499	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	243.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86934	2.1
55.93510	1.9
56.89278	1.9
57.35472	1.9
62.96508	1.9
69.07053	2.2
71.04978	2.7
71.08567	2.4
72.12698	2.0
72.93771	3.8
79.05491	2.6
81.07066	4.3
82.80169	2.3
84.04492	79.0
85.06532	4.2
86.09694	100.0
89.94029	4.9
90.94795	4.2
91.05479	2.1
91.29288	1.9
92.04528	2.3
95.08575	5.3
99.04446	2.5
99.95557	2.0
99.96284	1.9
107.08523	2.2
109.10147	3.7
111.04397	2.9
126.05485	2.5
129.06581	3.8
132.10181	48.3
132.95793	3.3
141.06628	2.6
145.96620	9.1
147.96602	2.3
149.96121	8.2
150.07399	2.2
150.96918	3.2
161.09593	2.7
161.96034	4.1
165.99234	2.6
191.97145	9.6
194.20547	3.3
197.03793	3.4
197.12889	38.2
207.09810	2.6
219.96646	11.4
243.11145	2.6
243.13435	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	243.1738
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
55.05491	0.7
66.95518	0.5
67.05482	4.0
67.58262	0.5
69.07034	0.7
76.98488	0.6
79.05488	2.7
81.07047	6.0
85.75283	0.6
91.05460	3.0
93.07024	3.6
95.08586	7.4
105.07016	1.3
107.08575	6.4
109.06535	0.6
109.10149	5.8
117.06976	1.1
119.08558	10.9
121.10109	2.8
131.08556	3.1
132.05708	0.9
133.06508	0.7
133.10075	6.4
134.64824	0.6
135.08025	13.1
135.11679	12.9
137.65837	0.6
145.10077	3.0
147.08022	100.0
149.09633	1.0
157.10170	0.8
159.11620	1.4
161.09602	3.2
161.13220	1.0
169.10110	1.2
183.11700	0.7
199.14870	1.4
215.17816	1.1
225.16341	5.4
243.17401	61.9
243.20992	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	243.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29642	0.8
60.05360	1.2
60.05642	29.1
64.81004	1.1
67.05548	1.0
69.07059	32.4
70.06579	49.9
71.04945	1.2
72.08138	2.6
72.41194	0.9
72.93768	2.2
76.64122	1.1
81.07054	1.2
82.87823	1.2
84.04085	1.2
84.04499	17.4
85.06544	1.3
86.09688	29.6
87.36236	1.2
89.94032	1.2
90.94786	4.6
94.61967	1.1
95.08575	2.1
102.48421	1.1
111.04449	1.6
112.08691	5.8
114.09135	1.3
114.10256	1.1
115.08651	7.2
116.07069	44.7
128.11810	9.5
129.06532	1.6
130.09775	10.8
132.10188	11.1
133.09738	5.2
139.03780	1.8
145.96591	4.4
149.96086	4.6
151.07561	1.2
158.09209	15.7
161.96065	1.6
165.09041	1.2
165.99207	1.6
173.96036	1.0
175.11890	21.7
197.12866	9.3
198.15991	14.3
207.10184	1.4
219.96631	2.4
243.10989	1.7
243.13310	2.5
243.18114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
90.94817	1.7
96.56333	1.5
97.02879	3.8
97.17469	1.5
101.00864	10.1
102.00938	7.4
102.96838	1.8
103.26954	1.6
119.01901	50.7
120.01974	50.1
121.82159	1.5
131.01898	7.6
137.02924	19.1
138.03040	15.0
138.98915	2.1
139.02568	2.1
142.03465	6.6
143.01875	40.4
143.03589	13.8
145.03452	10.1
149.96088	2.0
155.01865	9.6
157.03415	16.8
159.04956	1.8
160.04518	3.4
161.02910	100.0
162.03052	28.4
162.04309	15.8
168.54587	1.7
171.04872	2.1
173.02921	15.1
175.04497	18.9
177.09637	2.0
179.04018	13.0
180.04109	32.9
180.05510	2.3
181.04604	2.3
183.90712	1.7
185.02884	21.0
185.04324	2.5
185.06538	3.9
187.04440	12.3
191.03949	3.7
197.02957	10.4
199.04433	2.4
203.03983	26.0
203.05663	4.3
203.07553	3.8
215.03993	9.0
217.05534	2.4
221.01663	3.8
221.05026	3.5
222.01520	16.0
222.06175	2.3
227.04001	3.6
227.07562	3.1
245.05019	50.1
245.12306	2.8
245.18785	1.8
263.02866	21.0
263.06107	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	245.0804
Annotation	Eriobofuran
Peak:m/z	Relative Intensity
51.90547	0.9
55.05503	1.8
62.36000	1.1
69.07046	1.2
71.74664	1.3
73.63064	1.2
79.05472	2.7
81.07037	1.7
83.04955	1.3
83.08591	1.3
84.90392	1.1
92.17472	2.2
93.07025	1.5
95.04929	1.3
95.08560	1.7
96.00632	1.0
97.10145	1.2
107.08498	1.4
121.10107	6.9
128.06143	2.6
129.06973	3.0
131.04854	1.4
131.08556	2.3
135.11642	1.4
138.30241	1.4
139.07416	1.2
139.11177	2.2
141.06927	2.5
142.03149	2.0
144.05640	1.7
145.10060	1.2
149.96010	2.1
156.05653	2.6
157.06445	56.3
157.10083	1.8
158.07231	1.6
161.09488	1.3
162.03377	6.7
163.01814	2.9
169.06468	1.7
173.05939	2.5
174.06712	7.7
180.04504	4.6
181.02896	3.0
184.05173	1.7
185.04338	2.5
185.05939	47.6
185.13222	5.2
187.03882	12.0
187.07509	2.2
195.05486	2.6
199.14769	1.5
200.04613	6.7
202.06219	38.0
204.04480	5.1
213.05167	1.3
217.08543	53.5
230.05733	5.4
245.08020	100.0
245.13622	5.6
245.22836	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	245.1379
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.68466	0.7
52.74415	0.6
55.01864	2.0
55.05265	1.2
55.05510	31.6
57.03168	1.0
57.03434	20.9
60.32244	0.6
61.21889	0.7
64.28865	0.8
65.92917	0.7
67.05496	18.0
69.03424	7.8
69.07045	5.4
70.98517	0.7
79.05487	11.0
81.07036	11.0
83.04969	2.0
83.08609	36.6
93.07009	6.4
93.44877	0.9
97.10159	100.0
101.09640	1.4
107.08579	26.2
109.10134	4.2
111.08063	1.3
117.06997	1.1
121.51845	0.9
125.09615	91.4
126.15569	0.8
128.48384	0.8
135.08066	7.3
135.09023	0.8
143.10645	2.0
149.96048	1.4
153.09111	5.7
171.10146	13.1
189.11194	48.2
190.92038	0.8
197.91977	0.7
227.12744	19.8
245.13803	65.6
253.95532	0.9
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
52.85779	2.4
55.05508	37.7
57.03443	30.0
59.06131	2.5
67.05502	20.9
67.66954	2.6
69.03423	6.2
69.07053	5.4
79.05480	11.5
81.07037	15.0
83.04970	4.0
83.08609	32.0
91.05465	3.5
93.07030	7.1
95.08578	5.1
97.09594	4.8
97.10165	100.0
105.07023	3.0
107.08576	28.9
109.10178	5.4
118.08665	4.8
118.37428	3.8
119.08556	3.6
121.10111	3.8
122.93899	2.7
125.09618	84.2
133.10103	6.7
135.08035	10.7
138.82220	2.7
147.11630	4.1
149.13135	3.4
171.10164	6.9
189.11195	52.5
201.09962	3.3
245.09761	4.5
245.13707	69.0
245.19043	3.9
245.22575	19.5
248.92632	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	245.1381
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.82773	1.1
53.78443	1.2
54.38285	1.2
55.01860	1.8
55.05493	5.1
57.03437	2.6
57.07013	1.0
67.05502	11.7
69.03371	1.5
69.07056	14.5
71.01355	1.2
71.04971	2.5
79.05487	24.7
81.07053	17.3
83.04964	5.4
83.08606	3.0
89.02359	5.0
90.94781	2.4
91.05463	1.6
93.07027	31.8
95.04930	1.5
95.08604	15.0
97.06511	5.3
99.87156	1.3
105.07005	2.3
107.04905	7.0
107.08585	16.0
109.10196	1.5
111.04457	1.8
111.11707	13.4
117.07024	1.5
119.08557	10.1
121.06475	8.1
121.10123	100.0
125.05928	8.6
125.09602	2.5
131.08553	2.7
135.11676	28.3
139.07500	5.4
139.11168	46.2
140.57443	1.2
143.08478	1.8
145.10123	16.5
149.09575	6.4
149.96118	2.0
163.11140	32.9
167.10640	2.3
167.97136	2.1
181.12219	12.9
185.11729	4.8
185.13182	1.6
191.10532	3.0
209.11678	1.4
212.68346	1.3
219.13235	1.3
227.12733	21.9
241.17569	1.4
245.04588	1.5
245.13757	91.2
245.19028	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	245.1855
Annotation	Ile Ile
Peak:m/z	Relative Intensity
53.00293	0.1
53.24981	0.1
55.05503	0.1
55.18552	0.1
59.49018	0.1
61.55741	0.1
67.05501	0.3
72.93753	0.1
79.05466	0.3
81.07047	0.2
83.04964	0.1
84.08132	0.3
85.02928	0.2
86.09689	100.0
87.66427	0.1
90.94830	0.2
93.07033	0.1
95.08569	0.3
102.33948	0.2
107.08598	0.3
114.09150	0.2
125.09638	0.3
132.10179	3.3
140.10681	0.9
149.96088	0.6
182.11783	0.7
186.11224	1.1
199.14502	0.3
199.18008	1.2
227.08522	0.2
245.13531	0.6
245.18547	5.9
245.22485	0.2
257.17856	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	245.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80660	1.0
55.05493	5.2
55.49947	0.9
57.07080	8.0
63.44425	1.1
67.05499	23.6
69.07062	14.4
70.73678	1.0
71.08609	1.8
79.05487	18.2
81.06583	1.4
81.07047	34.3
83.08615	8.1
85.10171	1.1
91.05463	20.0
93.06470	1.5
93.07027	30.9
95.08593	39.1
97.10139	4.2
105.07024	16.5
107.07927	1.5
107.08585	22.2
109.10147	14.8
116.95158	1.5
119.08565	26.3
121.10127	40.8
123.11693	8.3
131.08629	1.1
133.10106	39.7
135.11681	16.5
137.13232	5.7
147.11676	30.3
149.13214	14.5
151.14761	1.8
161.13239	42.3
163.14801	19.1
163.98828	1.7
175.14784	25.3
177.16405	4.4
180.95595	1.6
189.16396	10.0
203.17941	4.3
217.19609	1.2
217.87892	1.2
245.22600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	6.2
57.07073	10.4
63.66077	1.0
67.05495	16.4
69.07043	9.0
71.08610	2.5
79.05481	11.8
80.79462	1.0
81.07047	28.4
83.08604	6.1
83.17970	1.1
91.05461	22.6
93.07031	19.4
95.08582	27.6
97.10133	1.8
98.46089	1.0
98.54057	1.0
105.07014	24.4
107.08575	20.3
109.10123	14.2
117.92926	1.1
119.08556	28.0
121.09303	1.3
121.10122	30.8
123.11677	6.8
125.09608	1.6
133.10098	33.5
135.11667	14.4
137.13219	2.5
147.11678	30.4
149.13240	13.0
151.14810	2.4
161.13222	32.4
163.14787	15.3
171.63275	1.1
175.14781	22.5
177.16325	2.3
189.16318	11.9
203.17934	5.7
217.19394	1.3
245.22588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1698
Annotation	2-Methylbutyroylcarnitine
Peak:m/z	Relative Intensity
50.43173	0.5
57.07072	1.6
58.20753	0.6
60.08166	7.0
85.02898	100.0
85.06524	3.5
86.09679	0.8
87.10041	1.5
89.85969	0.6
100.21617	0.7
120.05471	0.7
144.10258	1.0
187.09587	9.7
198.14734	0.7
228.15915	1.3
246.13928	5.7
246.16914	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	247.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	5.9
69.07080	1.0
75.57003	0.7
81.07033	0.9
87.84867	0.9
91.05473	1.7
99.04494	0.9
109.10148	10.3
117.06967	1.3
119.08538	1.6
129.06979	3.6
131.04926	4.8
131.08551	1.5
132.05696	8.7
133.06474	1.9
144.05753	1.0
145.06490	3.5
146.07306	1.1
147.08046	4.0
159.08034	14.3
160.05217	9.5
161.05954	39.5
161.09628	6.2
173.11752	1.7
174.06773	0.9
175.07526	19.1
176.08299	100.0
177.09087	1.2
185.05992	1.3
186.06750	1.5
187.07532	10.1
189.05405	1.2
189.09111	4.4
190.06223	37.8
190.07918	1.6
191.10651	13.4
201.09111	1.1
203.06995	1.0
215.07086	1.1
219.10130	4.9
226.43205	1.0
229.08701	1.2
229.14304	1.6
247.08545	18.7
247.17049	1.0
247.20374	1.1
247.24249	1.0
257.04990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1284
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.05499	4.0
56.05021	0.9
59.42978	0.4
63.40799	0.6
69.07048	0.9
70.06579	2.1
72.08141	100.0
84.04489	51.5
84.08129	1.1
85.02833	0.6
86.09689	27.5
94.23879	0.5
102.05534	3.3
118.08624	53.3
130.04968	14.7
130.05832	0.8
148.06078	0.7
156.10176	5.9
158.02704	0.8
179.78453	0.5
183.11264	2.0
184.09631	21.6
184.11234	0.7
194.89299	0.6
201.12431	0.7
230.10187	9.8
247.12811	16.9
248.48314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03936	1.3
55.05502	2.3
56.63831	0.9
57.07067	1.2
65.03922	1.3
67.05509	2.2
69.03431	15.2
69.07067	0.9
79.05469	2.6
81.03319	1.1
81.07043	8.4
83.04971	14.2
91.05448	2.2
93.03410	2.2
93.07040	10.4
95.04939	5.0
97.02856	5.5
105.06990	6.5
107.08598	10.1
109.02872	19.0
109.06511	16.5
109.10139	2.5
111.04407	5.2
111.08026	1.0
117.06973	1.1
119.08588	11.8
121.02843	6.9
121.06499	20.7
121.10136	7.6
122.07198	1.0
123.08043	1.9
127.06663	1.1
128.06123	1.7
131.08566	13.5
131.74400	1.0
133.10110	10.2
135.08043	26.9
137.05937	5.8
137.09573	2.3
139.03819	2.0
143.08549	4.5
144.09299	4.8
145.06474	6.5
145.10083	12.8
147.08018	4.5
149.09618	22.0
150.10358	1.6
151.11171	1.9
155.08528	2.0
157.10207	1.4
158.10892	11.7
159.08032	12.5
159.11668	31.8
161.05972	1.4
161.09563	4.5
163.07512	23.3
163.11166	2.3
165.08966	1.2
168.09250	1.3
169.10115	1.7
170.10884	5.2
171.11597	1.3
172.08804	7.9
173.09592	27.4
173.13234	48.6
175.07457	1.9
176.08258	5.8
183.11607	8.6
185.13239	2.1
186.10385	19.5
187.07518	2.6
187.11165	100.0
189.09175	3.8
190.06300	1.7
191.06992	24.4
196.08722	5.5
201.12726	68.3
205.12227	8.9
211.11134	10.6
214.09813	4.6
219.09192	1.9
219.13741	6.1
229.09889	1.9
229.12196	50.6
247.08670	48.8
247.13225	52.8
247.16855	1.5
247.24236	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	247.2415
Annotation	Estrane
Peak:m/z	Relative Intensity
51.42562	1.5
55.05488	11.9
56.05014	2.7
57.07055	4.7
58.92057	1.7
60.83401	1.7
63.60292	1.6
67.05492	42.0
69.07056	14.1
74.65638	1.7
79.05476	36.0
81.07041	40.7
83.08585	10.0
84.05577	2.1
93.07025	46.6
95.04945	2.3
95.08591	43.5
95.19367	1.9
97.10166	3.6
103.45293	2.0
107.08586	40.9
109.10126	26.2
110.07148	2.7
111.11735	2.6
112.08707	2.5
112.55595	2.0
119.08531	2.1
121.10119	99.0
122.07146	3.5
123.11655	8.5
131.08525	1.8
133.09979	2.1
135.10712	3.2
135.11668	65.5
136.08588	2.5
138.10228	2.7
147.06610	2.1
149.13246	22.6
151.14790	3.4
163.14783	11.8
177.16360	4.4
179.17920	2.1
205.11931	3.0
211.89951	1.8
229.16092	1.9
247.07510	3.6
247.13098	2.8
247.16664	7.9
247.24138	100.0
264.97803	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	247.2414
Annotation	Estrane
Peak:m/z	Relative Intensity
55.05495	9.9
57.07050	4.1
59.06095	1.8
67.05492	29.3
68.04996	2.2
69.07053	15.1
70.06554	2.7
71.08604	3.0
79.05476	20.9
81.04485	2.0
81.07039	44.6
83.06071	3.6
83.08590	13.5
85.10155	1.8
91.05464	4.6
92.16826	2.2
93.07018	38.8
95.06051	3.4
95.08577	47.0
97.10136	9.8
107.08576	43.6
108.05548	2.3
109.07622	8.3
109.10123	29.6
110.07182	2.6
111.09122	2.0
111.96065	2.2
112.08744	2.7
121.10114	71.7
122.07117	3.1
123.09108	2.4
123.11648	12.9
135.11667	56.6
136.08678	4.2
137.08173	2.8
137.13277	4.1
137.60428	1.9
149.09525	2.3
149.13220	30.4
151.09637	3.2
151.14755	2.1
163.09785	7.8
163.14778	20.4
164.11829	2.9
165.16362	3.4
177.16319	13.5
189.11310	2.6
191.17914	8.8
205.12012	4.4
205.19478	3.7
206.10362	2.5
247.07503	3.1
247.12962	11.1
247.16692	13.2
247.20479	4.3
247.21254	3.6
247.24144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0753
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
53.30977	0.9
54.36473	1.0
65.31654	1.0
67.05489	1.8
69.03423	1.5
75.51695	1.2
86.21443	1.1
93.07014	1.7
95.04962	1.5
97.02873	1.7
99.04394	1.4
104.14282	1.1
105.07014	2.5
109.06516	1.7
117.07012	1.9
119.08574	2.1
129.06937	2.0
131.04915	9.0
131.08546	4.7
133.06453	9.2
145.06479	8.7
149.09567	1.3
151.03891	43.0
157.06416	1.2
157.10069	1.9
159.07985	8.7
161.05954	1.8
161.09552	2.0
163.07495	9.3
171.04327	1.9
187.07588	5.5
189.05472	2.2
189.09137	2.0
189.12845	1.3
191.07010	75.8
203.07031	1.6
204.07802	1.4
231.06679	1.6
231.09938	2.0
231.13760	2.2
249.07549	100.0
249.11182	16.5
249.15724	9.5
249.18112	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	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.05500	1.3
55.16331	1.1
57.03440	2.7
57.60572	1.1
59.05003	9.5
59.05237	1.2
67.05474	1.7
69.03417	1.8
69.07047	1.5
71.05009	1.2
81.07041	2.2
91.05453	3.2
93.07041	2.6
95.04922	1.9
95.08578	2.3
97.06517	3.0
99.04446	5.8
105.07012	5.9
107.04981	1.9
107.08581	3.2
109.06481	7.0
115.07529	5.9
117.07022	3.2
119.04872	1.9
119.08550	2.4
121.02840	2.3
123.04380	1.5
125.09573	1.2
128.06183	2.7
129.06975	15.0
131.07666	1.9
131.08560	22.3
133.06461	2.7
133.10126	3.2
141.06952	5.3
142.07747	1.7
143.08543	5.6
144.05685	5.5
145.06454	5.6
145.10086	5.5
147.04422	2.3
147.08044	2.0
147.11691	2.3
149.09598	1.7
153.06979	1.5
157.06464	7.7
159.08040	31.0
161.05908	1.6
161.09555	10.2
164.44356	1.3
169.07648	1.7
170.07207	5.9
171.08028	10.8
171.11632	3.2
173.05904	3.0
173.09550	2.1
175.07501	2.0
175.11221	1.4
187.07503	22.1
189.09036	12.9
189.12781	2.4
191.06804	1.4
191.10704	1.9
199.07504	2.4
201.75403	1.6
203.07069	7.4
204.07806	17.0
205.08737	1.8
213.12709	1.6
216.07831	2.7
221.11758	1.8
231.10210	10.0
231.13815	2.7
234.08727	1.7
249.07393	5.6
249.11182	100.0
249.15105	11.8
249.18376	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	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
59.04973	1.1
62.97105	0.9
67.05523	1.6
71.04980	2.1
71.52972	1.0
81.07044	2.1
86.09723	1.6
91.05423	2.3
93.06963	1.2
95.04958	1.6
95.08642	1.4
97.06527	1.2
99.04434	1.5
105.07009	1.9
107.08608	2.0
109.06460	1.9
115.05441	1.6
119.08560	2.9
120.08113	4.1
121.06592	1.3
121.10124	1.2
128.06255	2.0
129.07005	13.0
131.04892	1.3
131.08572	18.1
133.06508	2.2
133.10138	2.0
141.06978	2.4
143.04880	1.5
143.08528	7.3
144.05676	6.1
145.06468	5.3
145.10081	4.5
146.07300	1.6
147.11707	1.4
149.09596	2.8
151.03870	2.7
153.06961	1.6
157.06477	7.4
159.08031	32.8
161.05977	4.0
161.09595	12.3
169.07668	2.4
170.07320	4.8
171.08028	8.1
171.11650	1.7
172.05251	1.9
173.05919	2.6
173.09679	2.1
175.07507	2.7
187.07542	21.3
189.05452	6.1
189.09067	13.7
189.12675	2.2
191.10773	1.5
199.07538	2.3
203.07040	6.4
204.07779	15.7
205.08511	1.4
213.06575	1.9
213.12773	1.2
216.07770	6.3
219.10133	1.4
221.11771	3.7
231.10175	8.6
249.11186	100.0
249.15540	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	249.1118
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
67.05502	0.7
72.43929	0.9
81.07027	0.8
91.05476	2.7
92.16553	0.8
92.63589	0.7
93.07039	1.4
95.32790	0.7
97.02874	1.0
97.46528	0.8
105.06998	3.3
107.08566	1.0
109.10075	0.9
115.05392	1.0
117.06952	1.3
119.08566	1.1
128.06183	4.4
129.06984	15.4
131.08540	19.9
133.06456	1.5
133.10095	1.9
141.06947	4.5
142.07843	1.0
143.08517	4.3
144.05673	4.0
145.06458	5.3
145.10110	0.9
146.07230	3.0
147.11604	0.9
153.06963	1.0
155.06007	1.1
157.06424	7.5
159.08020	38.4
161.05972	3.3
161.09593	9.7
167.07039	1.4
169.07607	3.3
170.07294	6.9
171.08029	7.3
172.05229	1.0
173.05945	3.8
174.06647	1.4
175.07497	2.9
177.05402	1.1
185.05946	1.4
187.07507	24.0
188.04755	1.1
188.08304	1.5
188.20703	1.0
189.05397	1.4
189.09117	11.9
191.06973	1.2
191.10428	1.0
193.08496	1.3
198.06714	3.0
199.07489	1.7
201.05382	0.9
202.37956	0.9
203.07010	6.7
204.07794	15.0
205.08490	0.9
206.09357	1.0
216.07794	4.5
217.08598	1.4
218.09254	2.9
219.10080	3.2
221.08075	1.1
221.11719	3.7
231.06409	0.9
231.10085	7.9
231.13663	1.2
234.08727	1.1
249.11162	100.0
249.15483	5.1
249.18140	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	249.1484
Annotation	Lyratol D
Peak:m/z	Relative Intensity
51.62173	2.5
55.05515	5.4
59.94709	2.7
60.04512	12.0
65.86006	2.8
67.05503	7.8
69.03417	37.4
69.07067	3.4
74.78754	3.1
81.07063	23.2
83.04973	18.4
85.06511	4.2
91.05457	18.6
93.07016	36.0
95.04941	20.8
95.08579	23.4
105.07013	19.2
107.04967	3.7
107.08578	22.4
109.02847	4.9
109.06510	21.0
109.10153	6.7
110.07278	3.8
111.04434	4.2
111.08067	16.2
117.07030	3.7
119.08577	41.2
121.06495	13.3
121.10123	3.6
123.08094	4.8
125.09579	4.2
129.07033	5.2
131.08562	12.8
133.06470	12.4
133.10146	5.7
135.08034	15.9
137.05959	6.8
137.09567	7.2
139.07477	4.6
145.10121	7.4
147.08031	84.5
147.11707	13.7
149.09581	5.7
161.05943	5.2
161.09534	6.9
161.13211	7.8
163.11111	4.7
165.05458	21.5
175.07590	14.3
175.14853	3.4
179.07010	4.5
185.13264	4.4
189.09006	4.2
189.12708	16.8
203.14294	14.2
213.12758	7.5
213.92902	3.4
231.13727	23.1
249.07547	6.7
249.11186	6.8
249.12372	4.7
249.15419	100.0
249.18503	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	249.1843
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
51.65662	1.3
57.07067	25.0
58.52511	1.4
60.56815	1.2
61.19950	1.3
63.25936	1.4
67.85552	1.5
70.95972	1.4
85.89101	1.5
93.07001	1.9
117.92784	1.5
118.60748	1.6
130.74773	1.5
137.05952	16.0
193.12195	77.0
202.93977	2.2
244.80029	1.7
249.13065	4.6
249.15703	12.9
249.18388	100.0
263.21771	1.7
265.17429	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	249.1845
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05495	4.5
59.04998	2.9
67.05484	10.3
69.07054	14.6
78.44722	2.5
79.05478	3.5
81.07040	22.6
82.80981	2.6
83.04932	2.8
83.08610	9.5
85.41797	2.7
91.05505	3.5
93.07026	10.4
95.08579	20.0
97.06516	3.4
101.79588	2.5
105.07000	9.5
107.08622	5.0
109.06544	6.1
109.10145	6.3
111.04429	13.5
119.08568	10.4
121.10114	18.8
123.07984	3.8
123.11674	4.4
133.10027	9.6
135.08023	3.4
135.11668	4.8
137.05952	100.0
137.13219	4.2
145.10121	3.9
147.11665	14.4
149.13222	3.3
151.07501	3.7
157.10104	3.5
161.09596	15.6
161.13261	5.3
163.11209	4.6
175.05826	2.7
175.11139	6.2
175.14851	4.3
189.12755	3.8
196.59648	2.7
199.14719	4.1
203.17906	11.3
207.13692	4.3
213.16411	2.8
231.17430	16.3
236.90559	2.9
249.13029	19.1
249.15617	33.5
249.18506	17.1
249.25842	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	249.2208
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03945	5.7
53.42538	3.6
54.68761	3.8
55.01864	5.9
55.05500	22.6
57.03426	8.1
57.07070	5.6
59.05006	4.7
59.44360	4.3
67.05501	50.0
69.07053	39.1
69.07365	4.2
79.05482	23.1
81.03413	75.9
81.07047	59.1
83.04963	11.5
83.08603	6.1
91.05473	11.3
93.07037	24.7
95.04956	52.1
95.08571	25.3
97.10110	6.3
105.07007	8.1
107.08591	8.6
109.06471	10.4
109.10143	32.7
114.66656	4.8
118.22450	4.6
121.10139	10.6
121.87579	4.9
123.11694	9.5
133.10181	7.9
133.42409	5.0
147.11676	5.5
149.49098	4.4
151.11151	44.2
154.09599	5.0
158.10899	5.0
159.06715	6.0
165.12738	8.5
190.12433	5.2
193.12155	5.5
226.68005	5.3
249.15956	13.9
249.18369	8.6
249.22063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24829	0.4
54.17810	0.4
57.03417	0.8
58.06577	0.6
60.04509	1.0
60.08141	0.5
67.01838	0.8
68.56727	0.4
70.06550	0.4
81.03391	0.4
88.07599	0.9
97.02892	0.4
109.02882	0.4
114.33290	0.4
119.08519	0.7
129.06865	0.4
132.64610	0.4
136.06157	100.0
145.06494	0.9
147.08055	0.6
172.12643	0.4
191.06978	2.8
205.85751	0.4
250.07043	0.6
250.09225	15.7
250.14308	2.8
255.41322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1789
Annotation	Aikupikanyne A
Peak:m/z	Relative Intensity
53.47292	1.5
56.27160	1.6
57.07050	1.8
67.05493	1.8
79.05464	2.0
81.07038	7.2
95.08593	3.2
119.08498	2.5
121.10121	2.1
133.10095	2.2
145.96648	4.7
153.07002	2.6
159.11555	2.3
163.97699	8.9
167.08517	51.4
179.08499	4.0
180.09354	4.5
181.10086	11.3
182.90910	2.0
185.85240	1.8
186.99370	2.6
191.06839	2.6
193.10126	4.3
195.11732	3.2
208.12442	11.9
209.13220	100.0
233.15462	2.4
251.14374	36.5
251.17911	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	251.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74309	2.1
55.05507	15.4
57.03428	2.6
57.07073	22.9
58.58843	2.1
59.04993	10.4
62.85204	2.1
63.32737	2.0
67.05495	9.7
69.07065	4.0
71.04979	2.4
72.38842	2.2
76.74559	2.1
79.05482	3.7
81.03408	4.6
81.07050	25.7
83.08610	5.4
84.25439	2.1
85.06549	2.9
85.94559	2.2
89.06023	100.0
91.05445	3.4
91.96910	2.2
93.07032	12.5
95.04952	8.7
95.08587	13.6
97.06484	2.8
99.04414	4.4
99.08084	3.6
99.18860	2.2
101.09654	9.8
105.07025	4.1
107.07034	2.6
107.08598	11.2
109.06488	3.7
109.10141	4.9
119.08556	5.6
121.06509	5.2
121.10112	9.4
123.08044	4.7
123.11719	2.7
125.09694	2.4
131.08568	10.1
133.08574	24.0
133.10126	4.4
135.11726	2.6
145.10152	5.6
145.12218	5.6
145.96658	12.9
147.11659	3.6
163.97649	20.1
165.12657	2.7
173.13345	3.9
175.11165	3.6
176.04436	3.0
177.05479	5.0
186.99300	15.6
191.14247	3.0
195.12169	4.1
215.18051	2.5
216.75388	2.8
233.15424	4.9
251.16336	13.2
251.18294	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	251.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.7
58.06589	2.2
59.04991	100.0
60.04512	1.0
62.65305	0.4
69.07088	0.6
71.04961	0.5
72.08132	0.9
73.82159	0.4
74.06055	2.0
79.05487	0.5
81.07056	0.8
83.04961	0.5
85.06535	0.6
86.09682	46.8
88.07612	11.0
88.08140	0.6
91.05479	0.5
93.07029	1.9
95.04959	0.6
95.08591	0.9
97.06550	0.5
99.04442	0.8
99.08076	0.7
102.01505	0.5
105.07007	1.0
106.46524	0.5
107.04961	0.5
107.08556	0.7
109.06503	1.6
109.10110	0.7
111.08116	0.5
117.09107	12.8
119.08566	0.5
120.08036	3.0
121.06419	0.6
121.10091	0.6
122.09649	0.9
123.08050	0.8
130.08618	5.4
131.08586	0.5
133.10086	0.6
135.08023	1.0
137.05952	0.5
145.02840	0.7
145.10020	0.8
145.96686	0.8
148.07526	2.5
148.58594	0.5
149.09642	0.8
153.01776	2.3
161.05862	0.4
163.11127	0.5
163.97635	0.6
164.10680	2.5
175.11101	0.5
175.13235	0.9
177.05429	2.8
187.11122	0.6
189.09193	0.6
191.10565	0.7
192.04143	1.0
205.04892	7.3
233.15285	1.0
251.05406	36.4
251.12415	0.6
251.17490	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	251.2366
Annotation	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
Peak:m/z	Relative Intensity
50.98808	9.0
55.05499	19.1
57.03435	27.7
57.07067	30.5
59.04988	17.4
66.02975	11.3
67.05492	64.5
69.07039	54.3
71.04984	11.1
71.08598	12.1
79.05467	19.8
81.07040	86.3
86.15559	12.2
93.07009	24.6
95.08580	81.7
107.08597	16.5
109.10139	51.3
121.10109	21.3
135.11667	15.2
169.15904	45.5
192.09068	12.9
218.20810	13.5
221.35455	13.1
251.14427	15.9
251.23605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0863
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
53.35622	0.3
54.61274	0.4
63.15829	0.4
70.02909	0.5
71.89298	0.3
72.63844	0.4
74.02436	17.7
79.84177	0.3
88.03983	49.4
91.05471	100.0
105.03388	0.5
116.03441	19.5
123.29418	0.4
134.04477	68.0
136.07587	1.6
146.06067	0.4
148.97127	0.4
150.96852	0.6
187.97684	0.5
192.96184	0.7
193.04971	0.6
193.08600	0.8
205.98746	2.6
206.08109	2.1
229.00339	0.6
234.07536	5.4
246.76163	0.4
252.08559	3.4
252.12332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31029	0.2
54.13855	0.2
56.96561	0.6
70.04066	100.0
82.80706	0.2
97.99161	0.3
111.85666	0.2
118.53494	0.2
125.01524	12.4
129.06978	1.0
130.07788	1.5
145.96661	0.5
150.96867	0.3
163.97697	1.4
165.04623	4.0
172.40318	0.2
180.20615	0.2
181.98651	0.4
187.97673	0.9
205.98724	5.8
229.00310	1.9
229.07608	0.3
247.08371	0.3
252.08923	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	252.1087
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
50.12964	0.1
57.03436	0.2
59.46354	0.2
61.01127	0.4
66.09713	0.2
69.03391	0.2
71.04973	0.7
72.97578	0.1
73.02917	0.7
77.37127	0.2
81.03401	0.3
99.04436	2.0
104.10716	0.2
114.02579	0.2
117.05469	3.2
119.03522	0.2
129.11845	0.2
132.95808	1.9
136.06161	100.0
148.97174	0.8
150.96838	1.2
174.05382	0.2
175.05795	0.8
191.97145	0.8
192.96152	2.9
193.05115	0.2
193.07001	0.5
193.08531	0.4
205.98753	1.0
210.97243	1.3
235.07944	0.2
251.97508	0.6
252.10675	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99737	0.4
53.03928	0.8
55.01861	0.8
55.05513	6.0
57.03421	3.4
61.02919	8.4
69.03416	12.8
71.04961	1.1
73.02905	2.7
73.06540	52.5
76.45385	0.5
80.77983	0.4
81.03406	6.0
85.02887	100.0
87.04451	0.9
91.03946	3.8
95.08588	0.7
96.57338	0.5
97.02874	21.9
98.74371	0.5
99.04435	3.5
103.03931	0.9
109.02180	0.8
109.02862	8.6
115.03859	0.8
119.11189	0.5
120.08066	6.6
123.59921	0.5
127.03880	19.6
136.07584	0.7
145.04935	14.6
163.06021	2.8
214.08415	0.5
253.11867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2158
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
55.05505	56.0
57.03434	4.1
57.07065	21.4
67.05492	43.0
68.59407	2.0
69.07053	100.0
71.04984	9.7
71.08626	6.1
77.00119	2.7
79.05476	15.0
79.62121	2.2
81.07047	84.4
83.04955	4.6
83.08607	78.7
85.06522	14.5
85.10176	3.4
91.05443	14.5
93.07021	40.4
95.04953	2.5
95.08591	80.9
97.06511	13.7
97.10154	63.8
99.08051	5.5
105.07021	14.4
107.08582	33.5
109.06473	2.6
109.10149	56.2
110.50038	2.7
111.03518	2.8
111.08070	12.2
111.11713	21.8
117.01514	3.0
119.08559	23.2
121.10113	42.1
123.08037	10.9
123.11688	19.2
125.09591	10.3
125.13280	2.9
133.10106	29.3
135.11688	31.8
137.09595	4.1
137.13223	3.1
139.11145	6.0
140.10637	3.4
141.09052	3.0
147.11636	27.6
149.13309	4.0
151.11140	10.7
151.14742	4.0
153.12740	4.2
161.13235	24.2
165.12639	9.5
175.14812	10.1
179.14240	3.9
191.17960	3.5
193.19553	4.1
206.98836	3.7
217.19444	37.3
227.92445	2.7
235.16962	4.9
235.20499	31.4
253.15810	2.5
253.19429	5.5
253.21625	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	254.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40453	0.5
61.01141	6.1
61.51145	0.6
64.53110	0.8
65.47616	0.7
66.23499	0.6
67.05484	0.7
81.07057	0.8
86.09663	0.9
96.67654	0.6
105.00083	3.8
120.08066	0.8
121.08911	0.7
130.96281	4.2
133.06432	0.7
134.09660	1.2
144.09338	1.1
145.08911	1.0
148.11192	100.0
148.97321	5.3
149.09612	1.0
149.11980	1.6
150.12766	3.6
151.75543	0.6
158.09628	5.4
160.07594	0.8
165.05467	1.2
172.11192	5.4
173.11993	9.6
176.10640	10.0
176.11847	0.7
189.97557	8.1
191.13028	17.9
207.98740	2.8
217.73607	0.6
236.10957	2.9
254.12051	13.3
254.14265	2.9
254.24808	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	254.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.1
56.68784	0.6
57.07080	1.3
57.79554	0.6
67.05490	6.5
69.03398	3.3
69.07046	1.1
71.04968	3.9
71.08613	4.0
79.05500	1.0
79.20503	0.7
81.07034	1.0
83.04944	1.0
83.08619	7.8
85.02891	10.3
87.04445	1.8
91.05473	2.9
93.07018	11.9
95.08588	49.8
98.19260	0.7
99.04456	1.5
99.08067	3.2
100.11241	77.6
101.05999	4.2
109.10137	21.8
113.05954	6.3
119.08556	16.2
124.88062	0.9
127.11190	3.2
137.09595	27.1
141.34982	0.8
145.71466	0.9
155.10638	100.0
189.97766	0.8
254.14264	0.8
254.16907	7.0
254.21124	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	255.1122
Annotation	4,7-Dimethoxy-1-vinyl-beta-carboline
Peak:m/z	Relative Intensity
52.33102	1.0
55.05491	2.4
55.87486	0.8
57.03423	5.9
57.07063	2.1
63.45465	0.9
65.03931	1.2
65.80539	1.0
67.05493	8.6
67.05795	1.1
69.07056	17.6
71.04964	1.8
71.08601	1.5
79.05467	7.4
81.07033	9.5
83.04965	2.5
83.08604	4.9
85.06529	1.4
91.05479	1.5
92.05000	4.6
93.07026	10.2
95.08573	9.4
97.06508	9.6
97.10161	1.1
105.06998	1.7
107.08587	8.6
109.06512	1.1
109.10130	5.3
111.08077	4.1
111.11688	1.8
117.06996	1.2
119.08561	1.5
120.04433	4.5
121.10112	1.8
135.11665	29.6
136.07512	1.3
143.08498	1.9
145.10126	4.7
153.12714	11.3
156.07977	1.4
159.11566	1.0
163.11168	1.5
167.07275	4.0
167.08510	1.6
168.08093	1.8
169.08795	2.5
169.10118	1.5
180.53601	1.0
181.07585	1.6
182.09634	9.6
182.11075	1.0
184.09886	4.3
184.11215	4.2
185.07100	1.6
186.09132	1.9
187.08617	2.0
192.08025	1.5
195.11678	1.4
197.07050	5.1
198.07811	4.3
199.08655	5.4
199.12251	21.8
200.10672	1.3
209.07108	1.1
209.10666	5.3
210.09064	8.9
211.08575	10.6
212.09215	20.9
217.14285	7.4
222.07843	1.3
223.07468	1.1
225.06538	11.2
225.10197	2.0
227.08249	20.7
227.11717	61.6
237.10207	5.1
239.08101	9.2
240.08858	33.7
241.81087	1.1
247.93723	1.1
254.05515	1.1
255.11241	100.0
255.15601	37.0
255.20956	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	255.1221
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
53.21656	1.1
53.81880	1.2
55.01857	2.0
55.05504	9.4
57.07061	11.9
59.04985	2.1
65.03932	1.4
65.22471	1.2
67.05478	6.7
68.02103	1.4
69.03403	2.5
69.07048	12.4
69.91550	1.3
69.94444	1.4
71.04984	1.6
71.08623	2.1
72.13612	1.2
79.05477	16.1
81.07034	19.0
83.04957	30.9
83.08586	9.5
85.10181	2.1
91.05448	7.0
93.03342	1.8
93.07010	10.5
95.04937	9.3
95.08586	7.3
97.02828	1.3
97.06501	18.6
97.10134	6.7
99.04403	5.8
101.06008	5.6
105.07017	12.1
107.04924	27.9
107.08575	25.0
109.06487	44.1
109.10131	11.3
110.07224	1.2
111.04410	8.9
111.08051	12.5
111.11686	1.6
115.07485	1.7
119.04926	1.6
119.08556	3.4
121.02868	2.0
121.06430	3.4
121.10130	15.8
123.08047	2.6
123.11758	2.5
125.05951	37.4
125.09600	12.6
127.07553	1.8
131.08549	5.8
133.06442	21.5
133.10139	1.7
135.04381	42.9
135.08006	34.0
135.11633	2.9
137.05949	6.1
137.09541	3.0
139.03925	1.7
139.07513	6.2
139.11269	1.6
140.46043	1.8
145.10110	19.3
147.08037	2.2
147.11665	1.4
149.05959	2.1
149.09584	26.3
149.13248	2.8
151.03845	2.3
151.07550	2.9
153.05420	100.0
153.09010	16.7
161.05937	9.1
162.10405	1.9
163.03864	17.8
163.11104	7.5
163.14856	1.7
167.06946	7.1
167.10538	1.8
171.06458	12.2
173.09593	26.5
175.11119	1.9
177.09074	8.3
179.07050	11.4
179.10612	31.2
179.47517	1.5
181.04900	21.9
191.10622	22.0
197.08078	2.3
199.05978	31.9
201.09045	2.7
205.65663	1.2
209.04465	2.8
209.11623	3.2
213.11142	2.2
219.10100	19.9
219.13567	1.4
219.21159	1.8
235.84686	1.3
237.11092	19.8
237.14809	2.3
237.22006	2.3
255.08553	2.0
255.12158	26.3
265.15118	1.8
271.16351	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	255.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40194	2.9
55.01872	5.5
55.05494	14.7
57.07052	15.8
58.57534	3.2
59.05002	4.2
62.50466	3.7
63.72995	3.2
64.50502	3.4
66.42519	3.3
67.05475	5.2
69.03405	4.3
69.07056	21.4
69.08192	3.8
71.08610	5.0
73.04968	3.6
75.22401	3.4
79.05472	18.0
81.07034	26.9
83.04970	28.7
83.08590	19.9
91.05455	9.6
93.07033	15.1
95.04910	8.0
95.08587	7.2
97.06514	29.0
97.10143	6.2
101.06023	4.5
107.04949	33.6
107.08579	37.8
109.06497	48.5
109.10143	15.6
109.99067	3.7
111.04412	7.3
111.08096	9.5
113.05962	3.9
121.10152	14.7
123.11665	4.2
125.05966	31.2
125.09571	16.3
133.06467	15.1
135.04395	44.6
135.08040	39.1
135.11688	6.6
139.07437	4.3
145.10088	23.4
145.37796	4.1
149.09592	23.8
151.07469	5.7
153.05429	100.0
153.09091	13.9
154.81937	3.9
159.95650	3.9
163.03880	19.9
163.11163	7.7
167.06985	8.3
171.06473	7.8
173.09583	29.4
177.09230	6.4
179.06998	5.9
179.10657	24.5
181.04935	19.7
191.10669	26.2
199.06056	33.6
219.10144	4.9
237.11270	16.2
255.12267	18.5
259.12854	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	255.1741
Annotation	4-(1-Ethyl-2-phenylbutyl)phenol
Peak:m/z	Relative Intensity
52.20782	1.8
55.05500	2.9
57.07069	8.6
66.48738	1.8
67.05518	3.8
69.07055	4.9
71.08607	3.2
79.05489	4.1
81.07053	10.4
83.08610	4.6
93.07038	8.8
95.08611	8.9
97.06524	3.3
105.07018	3.5
107.08585	10.1
109.10132	4.4
111.08040	2.1
119.08546	3.2
121.10128	8.9
129.06992	10.4
135.11636	7.7
135.66507	2.1
143.08525	10.4
145.10100	5.1
147.11662	2.9
157.10126	3.9
159.11700	3.1
171.11650	8.6
179.16862	2.0
181.10170	2.4
185.13216	13.1
198.10371	2.5
199.11147	50.7
211.11047	3.3
212.11929	8.3
213.12636	17.1
226.13516	14.8
255.06508	2.6
255.17410	100.0
255.20995	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	255.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
57.07055	6.9
59.09322	1.0
67.05488	8.9
69.07055	10.9
71.08609	2.5
73.65145	1.2
79.05470	5.2
81.07054	34.4
83.08596	6.1
85.10154	1.4
91.05454	1.8
93.07012	7.9
95.08599	26.9
97.10136	5.6
101.23245	1.3
105.07023	21.7
107.08586	13.8
109.10139	14.2
115.07520	1.4
119.08563	14.2
121.10114	7.0
123.11689	16.9
131.08569	9.2
133.10117	15.7
135.11673	7.0
137.13315	1.9
143.08554	4.9
145.10126	18.2
147.11673	20.3
149.13242	6.0
157.10114	5.7
159.11662	16.5
161.13245	10.0
171.11644	6.5
173.13249	9.4
184.07256	1.9
185.13254	6.1
187.14825	1.9
199.14824	13.1
213.16382	2.9
213.94463	1.3
214.25247	21.7
219.21072	2.2
227.17940	1.6
255.17868	6.5
255.21027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58684	0.9
55.05500	5.0
57.07068	4.4
63.95732	0.9
67.05500	10.1
69.00397	0.9
69.07050	7.7
71.05009	1.4
71.08612	2.2
79.05466	4.9
81.07051	33.1
83.08599	5.8
89.18194	1.1
91.05458	5.0
91.15135	1.1
93.07038	7.9
95.08599	23.3
97.06538	1.9
97.10149	2.1
105.07032	17.3
107.08574	11.2
109.10155	17.3
119.08591	10.4
121.10094	9.0
123.11676	16.8
125.13255	1.3
131.08548	10.0
133.10123	15.6
135.11748	8.4
137.13255	1.8
143.08537	2.8
145.10120	16.2
147.11671	20.0
149.13239	4.6
157.10179	8.2
159.11691	17.2
161.13229	8.0
163.14815	2.3
171.11629	7.6
173.13232	7.2
175.14796	2.3
185.13213	4.7
187.14824	2.7
195.13690	4.3
199.14777	12.0
213.16325	2.7
215.45020	1.2
220.47649	1.1
227.17955	1.4
237.18494	1.4
237.77721	1.3
255.21014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88016	0.5
54.84925	0.5
55.05503	1.5
57.07071	1.7
57.74046	0.6
60.42418	0.7
61.55306	0.6
67.05512	7.0
69.07042	4.3
70.62388	0.7
71.08624	0.8
75.96382	0.7
79.05473	3.2
79.47092	0.6
81.07057	34.8
83.08607	1.7
91.05462	3.0
93.07048	7.2
95.08022	0.9
95.08598	19.8
97.10131	1.2
105.06380	1.0
105.07034	22.8
107.08582	9.9
109.10151	16.7
111.68909	0.8
117.06995	1.3
119.08580	12.9
121.10165	6.0
123.11694	14.4
128.27003	0.7
131.08568	8.2
133.10120	15.6
135.11658	4.1
143.08559	5.1
145.10143	14.1
147.11681	18.4
149.13228	3.0
153.12216	0.8
157.10164	6.5
159.11678	16.0
161.13252	11.3
171.11707	6.4
173.13237	7.3
175.14754	3.2
185.13217	5.1
187.14819	1.5
199.14798	12.6
213.16353	4.2
227.17897	3.0
250.24384	0.7
255.17813	12.5
255.21019	100.0
263.87018	0.8
275.08914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
57.07065	4.1
62.69123	0.9
67.05486	1.5
69.07056	6.6
71.08614	1.4
81.07050	10.1
83.08600	4.4
93.07027	6.3
95.08599	9.2
97.06511	1.3
97.10155	3.4
105.07020	8.6
107.08582	6.0
109.10148	8.7
117.06925	0.9
119.08554	4.5
121.10097	4.9
123.11691	3.3
123.93021	0.7
130.15910	1.2
131.08545	4.8
133.10130	5.9
135.11700	1.5
143.08578	7.0
145.10107	11.0
147.11661	11.6
149.13243	1.7
157.10088	4.9
159.11662	10.4
161.13245	6.5
163.14801	1.2
171.11652	8.6
173.13232	10.2
175.14755	3.1
185.13240	8.2
187.14833	1.7
199.14793	21.6
213.16324	6.1
219.82680	0.7
220.21236	1.4
227.17923	1.7
244.67113	0.9
255.18112	3.4
255.21024	100.0
255.25217	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	255.2312
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
53.07828	4.6
54.60736	5.2
55.05509	44.3
57.03411	5.9
57.07065	100.0
64.45190	4.9
67.05482	24.6
69.07049	96.9
71.08605	66.4
75.02367	5.4
79.05473	9.8
81.07044	62.0
83.04971	7.0
83.08613	86.7
85.10155	37.2
93.07020	29.5
95.08584	61.4
96.95205	6.9
97.06497	31.6
97.10161	58.0
107.08565	41.2
107.83323	6.3
109.10123	29.6
111.08002	11.2
111.11715	14.1
121.10120	34.0
125.09599	13.5
125.21709	5.7
130.15855	10.2
134.25667	5.9
135.11635	44.0
149.13200	38.6
151.14635	6.7
153.12714	11.1
163.14780	28.0
167.14235	8.0
181.15646	7.1
214.21776	9.1
214.25249	70.0
219.21051	58.7
233.75215	5.9
237.22038	25.1
255.17636	32.0
255.20956	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	255.5985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55024	2.8
56.11652	3.3
57.07082	6.0
57.93541	3.7
67.05489	4.0
69.07063	8.8
79.05492	27.6
81.07062	100.0
83.08597	4.1
86.63126	3.9
95.08603	20.7
97.10133	4.5
98.96143	4.0
107.08602	5.5
109.10153	15.1
115.96417	49.2
116.96479	4.7
116.97220	47.7
121.10114	4.5
121.54615	3.5
123.11649	4.0
132.95853	7.6
133.97469	5.4
135.11696	13.9
139.98788	15.7
141.06947	4.4
143.08553	4.9
149.13225	8.0
150.96869	13.4
155.08548	14.2
156.99034	5.1
157.10104	5.9
159.11812	4.4
177.61681	3.4
180.54091	6.5
183.11632	5.5
191.97141	4.5
195.03157	5.4
199.11108	7.8
199.14890	3.4
205.01556	5.0
213.16296	3.8
223.57742	5.8
232.58220	7.2
233.04704	61.0
255.17717	67.1
255.21007	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	257.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01466	0.8
55.05506	1.1
59.66481	0.9
67.05492	1.9
69.07051	3.9
73.19503	1.0
79.05472	1.7
81.07046	10.1
83.04973	2.5
84.03317	1.1
91.05457	1.5
93.07010	5.2
95.08595	4.6
97.06496	9.0
105.07012	6.3
107.08562	4.3
109.10125	4.8
111.04424	6.5
117.07001	1.2
117.95980	1.9
118.96765	1.3
119.08561	2.0
121.00769	3.6
121.06461	2.1
121.10132	6.2
123.04435	1.6
124.67571	1.0
128.06192	1.1
129.06952	7.4
129.38925	1.0
131.08543	5.1
133.10107	4.2
134.24493	0.9
139.01826	1.0
141.06961	53.0
143.08542	7.1
144.02324	4.7
145.10091	2.0
147.08047	3.8
147.11647	1.4
149.05962	1.5
153.06926	2.1
155.08514	18.3
157.10114	5.8
159.08064	1.6
159.11650	1.5
162.03374	4.4
163.07504	9.5
163.11137	1.2
165.07053	1.7
167.08505	1.6
169.10100	11.2
171.11736	1.3
173.13240	1.9
175.14876	1.6
178.07661	1.3
179.08481	1.0
183.07974	4.3
183.11678	11.0
185.09534	1.8
185.13240	4.2
189.09065	5.8
192.99390	1.0
193.10063	1.7
195.11591	4.4
197.09573	1.8
197.13228	12.3
199.14723	2.0
201.09099	3.7
211.11163	6.5
213.12694	25.0
213.14587	1.8
215.10652	1.1
235.04063	1.4
239.10599	36.4
239.17944	1.5
248.89052	1.0
257.07785	1.5
257.11737	17.1
257.15308	100.0
257.18909	20.4
257.22559	4.5
257.26523	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	257.1278
Annotation	Albonoursin
Peak:m/z	Relative Intensity
54.41706	1.2
55.01854	1.5
55.05493	1.5
62.06066	8.0
67.05480	3.0
69.07052	1.6
70.24915	1.3
81.07027	3.6
81.46102	1.3
83.08591	1.9
93.07028	3.0
94.06532	1.3
95.04930	1.9
95.08575	2.4
97.06496	7.6
105.06995	3.5
109.10143	3.7
113.05984	3.3
119.08541	2.4
120.04401	2.7
121.00768	8.1
122.05997	2.4
123.08096	2.1
123.08926	1.5
131.08536	1.7
132.95750	5.5
133.10153	3.0
133.96078	1.9
139.01778	13.3
144.02312	14.3
145.10118	2.3
150.96858	8.3
151.96980	3.0
157.10081	2.5
162.03334	13.1
169.08789	2.2
183.06760	1.7
183.09120	1.6
184.11203	10.7
187.08603	2.8
191.97115	6.8
192.97429	7.2
193.15799	13.5
197.08363	3.4
197.13232	2.4
199.08519	2.8
200.09367	10.9
201.10222	2.5
201.13896	11.1
212.10666	17.1
213.06514	11.3
213.10211	1.8
214.10884	3.5
221.15320	9.2
227.08049	7.6
228.08821	24.8
229.09781	23.9
229.13284	58.4
229.15620	2.0
239.11839	1.9
239.16142	3.0
239.18262	10.4
241.09610	6.8
242.10426	30.9
257.12787	100.0
257.15143	4.6
257.18750	14.9
262.89209	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	257.1531
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
55.05501	1.0
58.15548	0.9
61.97465	0.9
69.07047	1.7
79.05472	1.9
81.07062	13.0
82.07368	1.4
83.04929	1.2
88.07603	2.5
91.05463	4.2
92.17470	2.2
93.07021	5.2
95.08576	4.4
97.06523	6.2
100.95567	1.0
102.09136	1.0
105.07034	6.5
107.08591	4.5
109.10146	2.0
111.04424	5.2
117.07005	1.1
117.95930	1.3
119.08567	5.3
121.06497	4.0
121.10120	5.7
128.06227	1.4
129.06992	7.9
131.08525	5.3
133.10121	4.1
135.08099	1.4
135.11664	1.8
141.06981	58.4
143.08522	10.9
145.06523	1.4
145.10118	2.6
147.08052	4.4
149.05971	2.5
155.08514	17.8
156.09265	1.4
157.10081	2.5
159.11734	5.1
161.13223	1.2
162.03349	1.2
163.07512	9.1
165.06943	1.8
167.08548	2.0
168.09384	1.2
169.10107	13.0
173.09732	1.0
183.08060	2.2
183.11671	11.0
185.13220	1.7
189.09111	5.4
193.10158	5.8
195.11696	4.7
197.09589	4.3
197.13286	14.1
199.14839	4.9
211.11150	5.6
213.12706	22.0
215.10696	1.5
229.12112	1.8
239.10629	35.3
257.11746	12.7
257.15329	100.0
257.18912	19.6
257.22653	5.1
257.26660	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	257.1894
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.65004	2.7
52.85995	2.6
55.05517	4.6
57.03426	5.0
57.07063	4.9
59.27496	3.5
59.32788	2.7
67.05486	14.2
69.07051	5.3
76.72727	3.3
81.07027	7.6
83.08591	7.0
85.32886	3.4
91.05435	3.6
93.07026	7.4
95.08578	18.8
105.07019	15.3
109.10126	3.8
117.07004	18.2
119.08548	8.5
120.26391	3.8
129.06950	16.6
131.04903	15.9
131.08528	24.6
132.95757	4.9
133.10091	5.8
139.01733	4.4
143.08527	18.3
144.02393	4.5
145.10106	70.2
147.11655	5.1
150.96846	6.7
153.01758	25.4
153.06595	4.1
155.08461	4.7
157.10080	18.7
159.11658	51.3
162.03412	4.4
169.10081	14.9
171.11624	6.6
173.13190	21.6
183.11674	23.4
185.13200	83.1
192.97554	4.0
197.13274	13.0
201.16402	4.4
213.75539	3.9
239.17918	35.1
257.08017	21.7
257.15210	5.9
257.18927	100.0
257.21747	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	257.1891
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.96705	3.7
55.05492	5.2
57.07066	7.5
67.05476	7.9
69.07035	6.3
79.05457	6.1
81.07036	22.7
83.08603	5.8
83.92756	4.1
92.17326	5.8
93.07031	23.9
94.49306	3.8
95.08590	22.0
105.07005	8.9
107.08562	20.6
109.10137	9.5
119.08517	16.3
121.10098	19.4
126.56833	4.5
128.12489	4.2
131.08559	17.2
133.10072	6.4
135.08014	20.8
143.08537	5.2
144.02409	4.6
145.10075	6.8
147.07990	47.0
147.11667	7.1
149.13205	26.0
155.08569	16.3
157.10039	9.2
159.11682	7.3
169.10139	21.5
173.09601	6.3
173.13196	9.4
183.11649	23.4
187.10976	6.2
195.11714	6.5
197.11581	5.9
197.13165	35.4
201.12694	10.2
224.15500	4.9
239.17888	39.0
257.15179	15.6
257.19040	100.0
257.26706	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	257.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.7
58.26754	0.5
67.05489	3.3
69.07050	4.5
75.20726	0.5
78.54232	0.5
79.05469	1.4
81.07049	18.3
83.08597	3.1
91.05464	2.3
93.07024	9.5
95.08003	1.0
95.08589	22.3
97.10176	4.0
105.07015	34.6
107.08575	15.7
109.10136	15.9
111.11691	8.3
119.08555	16.2
121.10133	10.4
123.11686	6.1
131.08524	3.5
133.10097	9.6
135.11673	11.8
144.02339	0.7
145.10092	6.4
147.11665	9.9
149.12129	0.8
149.13246	16.2
155.08492	0.7
159.11690	5.5
161.13231	15.7
162.03308	0.7
163.14796	9.1
171.11765	0.9
173.13199	7.1
175.14796	7.4
177.16344	2.1
185.13130	0.6
187.14799	7.5
189.16339	0.7
201.16362	17.6
215.17899	2.8
229.15875	1.2
229.19496	10.7
239.18079	0.7
257.19211	3.1
257.22583	100.0
263.26111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18383	0.9
55.05486	5.1
57.07056	1.1
67.05496	10.1
67.05785	1.1
69.07035	7.0
72.46510	1.2
75.16405	1.1
81.06589	1.5
81.07039	33.7
83.08601	2.4
91.05452	4.3
92.16814	1.3
93.07027	10.8
95.08588	28.2
95.65673	1.2
97.10143	11.8
102.17149	1.1
105.07007	22.0
107.08567	12.7
109.10123	27.0
111.11676	1.0
118.24072	1.1
119.08542	21.3
121.10107	10.6
123.11666	11.3
127.97635	1.1
131.08528	1.6
133.10081	15.7
135.11668	14.6
145.10077	7.3
147.11655	17.4
149.13223	14.5
154.08754	1.2
159.11679	8.4
161.13211	22.6
163.14748	7.9
172.79947	1.1
173.13210	7.0
175.13271	2.3
175.14761	36.6
177.16324	1.5
177.69662	1.2
187.14742	13.3
201.16324	20.6
212.13560	1.2
215.18025	1.9
229.19438	1.5
257.19064	13.6
257.22559	100.0
257.30170	2.3
275.59610	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	258.0754
Annotation	Cyathocaline
Peak:m/z	Relative Intensity
50.36036	0.5
71.23128	0.6
104.10717	5.6
124.99988	0.9
134.04845	0.7
143.51233	0.7
145.05063	0.6
169.05183	2.6
184.07332	0.9
197.04657	33.1
198.05397	1.2
214.04971	12.5
215.05652	3.8
217.43904	0.7
225.04094	7.6
231.28709	0.7
243.05252	5.1
255.19519	0.7
258.07523	100.0
258.19574	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	258.1099
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
52.91620	0.3
57.96062	0.3
58.06589	0.3
60.08159	4.4
71.07413	0.3
74.86480	0.3
77.32471	0.3
79.94397	0.3
86.09699	11.7
95.51592	0.3
98.98462	1.1
104.10740	100.0
124.99991	17.3
184.07318	11.4
195.97539	0.3
236.22313	0.3
258.11002	17.4
269.76437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1443
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
51.16735	0.2
53.93963	0.2
56.05019	0.9
58.06583	0.4
60.07319	0.2
60.08156	4.2
71.07349	0.5
73.38197	0.2
83.63488	0.2
84.03989	0.5
84.04488	12.8
84.08125	53.1
86.09682	10.8
88.71305	0.2
94.35284	0.2
98.98434	0.4
101.10764	2.8
102.05534	0.3
104.10721	100.0
111.09148	0.5
112.03918	0.5
124.99973	16.4
129.10208	100.0
130.04968	7.2
133.68414	0.2
136.73177	0.2
138.94447	0.2
184.07292	9.7
195.11238	3.2
204.34308	0.3
213.12180	0.3
240.09892	0.4
240.13359	2.6
241.09129	0.4
241.11697	1.5
258.10916	22.3
258.14322	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	259.0823
Annotation	Posoquenin
Peak:m/z	Relative Intensity
63.04184	0.4
81.07062	0.5
83.04942	0.9
89.03911	0.4
97.06462	0.6
98.97576	1.1
101.06040	0.5
105.11114	0.5
114.09106	0.4
116.98595	1.0
170.07115	4.9
188.08156	21.3
190.09679	0.5
194.99863	1.0
212.03381	2.6
214.06122	1.8
215.05573	0.8
216.07671	4.2
231.08383	0.5
232.07137	23.8
234.08696	1.0
241.07071	0.6
250.68512	0.4
259.08218	100.0
260.06677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	23.5
57.03429	2.2
69.03416	22.7
70.06589	2.8
71.04956	2.4
73.06539	88.2
81.03397	4.5
84.08123	10.9
85.02886	14.9
86.09681	4.8
97.02859	10.9
97.06526	2.5
99.04443	9.9
101.06002	100.0
104.10732	3.8
105.11074	5.5
109.02837	2.4
111.04446	3.3
114.05531	5.1
114.09137	15.2
126.09068	2.3
127.03886	3.9
130.08627	2.8
139.07541	2.6
142.81509	2.2
169.07585	2.8
176.54733	2.6
186.09317	2.1
213.10109	2.2
231.06512	4.0
259.06973	3.1
259.11575	26.5
259.16812	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	259.2049
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.10106	2.2
55.05498	11.3
57.03431	6.1
57.07063	14.0
62.06082	3.6
62.99069	2.5
63.06804	2.4
67.05470	3.2
68.15138	2.4
69.07059	19.8
71.08604	5.1
72.45275	2.3
79.05457	4.1
81.07038	14.5
83.08606	11.7
91.05462	5.8
91.74660	2.8
93.07030	14.8
95.08592	17.0
97.10136	6.6
105.07024	36.3
107.08628	4.2
109.10143	5.1
112.04980	2.8
117.06976	26.1
119.08558	30.7
121.10101	15.9
129.06973	12.3
131.08542	29.4
133.10101	52.2
135.11577	3.2
143.08517	17.4
145.10085	31.8
147.11655	33.9
157.10104	15.3
159.11636	68.3
161.13232	15.1
171.11679	21.6
173.13220	47.0
185.13258	23.5
187.14780	31.6
197.26840	2.8
199.14822	20.3
213.16455	3.9
213.24048	3.6
231.25104	27.8
241.19485	36.4
241.23566	11.8
258.52896	3.3
259.20581	100.0
259.24530	30.3
259.28201	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	260.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77440	1.7
60.08141	8.2
72.88686	1.6
78.68264	2.0
82.86497	1.6
84.08126	24.6
86.09687	45.7
104.10721	100.0
105.11057	21.0
106.11150	24.4
118.08606	16.9
124.99960	13.0
127.00384	11.8
129.10211	14.0
130.04965	11.1
130.08618	14.3
143.11728	15.0
147.07629	17.9
147.11189	13.7
171.36513	1.9
184.07266	3.2
186.07722	3.8
187.55415	2.2
221.37779	2.3
227.83611	2.2
227.85916	2.0
260.05203	17.9
260.11191	23.2
260.15884	2.5
260.19693	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	260.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40771	1.0
61.90804	1.2
73.04041	2.4
73.06531	2.8
78.42321	1.2
83.11829	1.4
89.32627	1.4
99.05563	21.3
101.06017	2.0
106.06572	2.1
111.05553	2.9
111.86097	1.2
113.06007	3.5
115.05019	36.6
120.04417	1.6
120.08080	2.3
127.04958	12.1
130.06497	83.9
132.04427	3.2
134.05974	21.4
139.04994	2.9
141.06561	3.3
146.05972	47.2
155.06139	1.5
157.07584	30.6
158.05954	13.1
175.08591	10.5
185.07083	6.1
187.08588	2.7
197.06924	2.0
214.09700	15.1
232.10831	2.4
242.09177	100.0
260.10245	30.5
278.11194	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	261.0306
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
50.91476	0.1
60.33032	0.1
65.93710	0.1
66.78498	0.1
71.54884	0.1
93.36460	0.1
96.56122	0.1
98.07834	0.1
101.00871	0.2
109.02850	0.2
110.07162	0.2
116.98603	0.2
119.01929	1.1
137.02927	0.5
142.27567	0.1
145.58334	0.1
149.00813	0.1
157.00435	0.2
166.01041	0.1
170.01216	0.1
177.00934	2.1
178.01074	0.2
190.92101	0.1
198.01773	0.2
199.01509	0.5
201.00891	0.2
208.01945	0.9
214.96613	0.1
215.11261	0.2
217.02507	0.4
217.04245	0.3
219.01996	7.7
219.10727	0.1
225.00760	1.7
226.03093	0.1
229.02711	0.2
237.98546	0.2
243.01973	12.2
261.03046	100.0
262.03433	0.1
263.03262	0.2
266.03705	0.1
284.04642	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	261.1442
Annotation	Glu Leu
Peak:m/z	Relative Intensity
56.05017	1.4
56.96551	0.6
61.68401	0.5
66.39068	0.5
66.52470	0.5
69.03399	0.6
69.07050	1.2
72.08138	2.3
78.80351	0.6
81.07062	0.9
84.04490	74.2
85.02877	0.9
86.09691	100.0
98.97569	3.3
102.05521	12.4
109.02883	0.7
113.07101	0.6
116.98593	2.8
118.44185	0.6
121.85097	0.6
129.06554	2.8
130.04964	7.3
132.10178	57.3
134.99638	0.7
139.01790	0.5
140.87025	0.5
141.06529	3.0
144.06538	1.1
147.38800	0.5
162.07568	0.9
165.87390	0.6
170.05701	0.8
170.11681	2.8
197.12801	27.5
198.11293	5.8
201.00604	0.6
201.08025	0.7
215.14130	0.7
225.12311	2.1
243.13362	31.0
244.11729	2.6
261.13062	7.8
261.14542	4.5
261.18344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1442
Annotation	Glu Leu
Peak:m/z	Relative Intensity
50.11595	0.6
52.70538	0.6
56.05027	3.1
56.29229	0.6
63.49259	0.7
69.07053	1.3
70.39285	0.7
80.89577	0.7
83.06095	1.1
84.04491	84.0
85.02887	3.1
85.04832	1.0
86.09691	100.0
87.10028	1.4
98.98471	1.7
102.05526	22.2
104.05352	0.9
113.07161	1.0
129.06586	9.5
130.05020	1.2
132.10181	62.6
133.10526	1.2
141.06549	5.1
147.96057	0.8
149.02351	0.8
160.08656	1.2
164.42088	0.7
172.36917	0.8
181.09706	1.0
197.10963	1.6
197.12817	48.8
223.96661	0.8
225.12279	6.8
243.13315	53.5
243.15306	4.2
244.13771	1.5
261.12671	0.9
261.22162	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	261.1443
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
56.24217	0.5
57.35060	0.4
57.51791	0.5
69.07054	3.9
74.91190	0.5
84.03986	1.2
84.04501	47.4
86.09700	100.0
86.54373	0.5
95.04961	0.5
101.62106	0.5
102.02864	0.5
102.05566	2.7
116.10696	1.0
129.32564	0.6
130.05000	13.7
132.10194	42.7
142.05005	2.1
152.10616	0.8
169.08627	0.7
170.11720	3.3
178.32843	0.6
197.12796	0.7
198.11240	14.2
243.13512	0.9
244.11780	8.5
261.12772	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	261.2206
Annotation	4,5-(methanoxyethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
50.16303	4.1
52.48157	3.9
55.03979	3.8
67.05492	21.6
79.05462	28.0
81.07036	28.4
82.14093	4.2
91.05456	7.9
93.07024	37.6
95.08570	30.2
105.06958	8.2
107.08572	37.4
109.10136	20.1
121.10095	38.1
131.08495	6.2
133.10101	10.0
135.07924	5.1
135.09129	5.0
135.11662	25.5
145.10115	8.0
147.11684	5.7
149.13235	27.8
159.11649	6.9
161.13152	6.8
163.14793	24.3
173.13176	5.6
187.14757	7.0
188.09961	5.1
192.12306	5.8
243.20981	22.3
261.12921	9.9
261.22079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.13304	0.7
55.05495	6.2
56.03550	0.8
57.03418	1.6
57.07053	2.0
67.05182	1.6
67.05497	28.5
69.07066	9.9
70.03331	0.9
71.04951	1.1
79.05030	1.7
79.05486	31.7
81.07050	37.7
83.08614	8.3
85.06511	3.8
91.05456	14.6
93.07028	47.7
95.04957	1.8
95.08595	33.4
97.06521	1.8
97.10143	1.8
99.08104	3.5
105.07014	13.4
107.08585	35.3
109.10146	15.4
111.08041	4.3
117.06996	5.4
119.08558	13.3
121.10124	41.1
121.98475	1.0
123.11681	5.2
124.68432	1.0
131.08548	11.0
133.10123	15.0
135.10727	1.7
135.11684	33.6
137.09566	1.4
137.13284	1.3
145.10121	13.3
147.11661	11.6
149.13237	32.1
159.11679	11.1
161.13219	14.7
163.11136	1.6
163.14780	20.6
165.12804	1.2
173.13231	13.5
175.14815	5.3
176.11221	1.1
177.16370	8.1
179.14368	1.7
187.14722	7.5
201.16403	4.5
234.83629	1.1
243.21030	36.6
261.13025	4.7
261.22092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.44492	1.2
55.05501	5.3
57.07059	2.5
60.94179	1.2
61.24738	1.2
67.05492	22.8
68.22081	1.2
69.07039	5.9
71.08599	1.4
74.68208	1.1
79.05481	24.5
79.67194	1.2
81.07045	30.6
83.08588	3.0
85.06516	3.3
91.05440	8.2
93.07021	41.0
95.08047	1.9
95.08591	26.8
97.06510	1.6
97.10087	1.7
99.08059	2.5
105.07013	7.8
107.08575	34.5
109.10152	9.2
111.08067	2.5
119.08591	10.6
121.10126	31.9
123.11639	5.4
131.08543	5.7
133.10097	12.3
135.11671	30.7
137.13202	1.8
145.10092	8.8
147.11697	10.0
149.13257	28.4
152.21408	1.4
159.11646	7.4
161.13229	9.1
163.14795	21.8
173.13223	10.3
175.14781	3.0
177.16344	6.0
179.14230	1.4
187.14752	5.8
201.16441	2.1
243.21046	30.6
261.22073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.23294	3.3
55.05503	7.4
57.07056	3.7
66.65379	3.4
67.05490	31.7
68.46832	3.9
69.07063	6.7
79.05487	40.0
81.07040	28.2
83.08583	6.0
84.96984	3.4
91.05485	8.0
93.07028	70.7
95.08582	35.5
105.06998	24.3
107.08597	49.3
109.10136	8.6
114.07294	3.7
117.06986	7.8
119.08580	6.4
121.10110	41.8
123.11681	4.6
126.24793	3.9
131.08556	26.0
133.10109	9.8
135.11670	21.6
145.10112	20.0
147.11662	15.5
149.13231	22.6
159.11734	7.6
161.13216	6.6
163.14807	18.7
173.13271	8.0
175.14835	4.3
177.16493	4.8
187.14799	7.9
192.02788	4.3
243.21019	64.9
261.12933	6.7
261.22131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1183
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
85.04007	7.4
90.41586	3.3
94.19358	2.9
97.91464	2.8
130.06502	12.4
132.08070	30.8
141.58354	2.9
146.05984	25.5
149.20338	3.1
159.09163	11.9
170.05956	4.8
184.45250	3.6
187.08594	4.7
188.07022	100.0
205.09747	21.4
216.11250	13.6
244.10602	4.5
262.11740	15.7
262.14249	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	263.1386
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
58.16327	0.3
67.05486	0.4
70.06580	21.1
83.08627	0.3
89.15666	0.4
91.05446	0.5
93.06998	0.8
95.04942	0.3
95.08600	0.4
103.05443	2.0
109.40448	0.3
113.65531	0.4
116.07066	93.0
120.08077	100.0
133.10103	0.4
144.51294	0.4
147.04416	0.5
221.09241	0.4
263.13843	19.4
263.16321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33030	1.2
55.05499	2.6
57.07073	31.4
67.05481	3.4
68.55964	1.8
69.07056	3.1
71.08622	33.2
81.07055	7.1
83.08623	2.7
83.30019	1.7
89.06019	100.0
89.22505	1.6
89.87445	1.4
95.08598	8.6
97.06535	1.6
98.97587	2.1
107.07029	2.7
107.08633	2.0
109.10119	3.4
116.98672	2.0
121.10123	2.8
123.11723	1.9
129.13380	1.8
133.08618	6.3
135.11705	2.7
140.80945	1.5
151.09619	41.8
161.04149	3.2
175.05751	3.0
176.01999	1.6
177.45163	1.7
189.07289	9.8
203.08789	5.7
263.14532	23.0
263.19934	2.8
263.23712	3.0
266.89059	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	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05513	11.4
55.05724	1.5
56.55307	1.6
57.07070	14.9
65.19012	1.6
65.97652	1.4
67.05495	76.5
68.50699	1.4
69.07053	19.0
71.08593	8.0
79.05468	10.3
80.38007	1.3
81.07046	100.0
83.08607	23.2
85.06532	2.6
85.10162	2.8
91.05453	13.9
93.07026	21.5
95.08588	96.7
97.06496	10.2
97.10162	10.7
99.08048	7.9
102.93437	1.4
105.07010	7.7
107.08571	16.0
109.10134	60.0
111.08039	6.4
113.09578	2.3
119.08552	11.7
121.10083	17.5
123.11682	23.4
133.10095	17.0
135.11658	11.4
137.09579	1.8
137.13261	11.5
147.11676	13.8
149.13206	7.8
151.14757	11.4
161.13156	15.6
163.14754	7.2
165.16356	10.5
175.14758	6.7
179.17863	3.6
189.16278	2.7
229.49408	1.6
245.22562	41.1
263.23630	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.96425	1.3
55.05505	9.7
57.07079	13.4
67.05161	2.5
67.05503	54.4
69.07082	15.3
71.08605	7.7
74.62132	1.4
79.05483	12.9
81.07054	82.8
83.04969	1.9
83.08617	13.5
85.06521	3.2
85.10182	2.9
91.05473	8.4
93.07039	18.9
95.08599	75.8
97.06503	6.0
97.10169	7.1
99.08073	3.2
105.07001	9.4
107.08582	15.9
109.10149	43.8
111.08039	3.3
113.09626	1.7
119.08562	14.9
121.10149	20.3
123.11712	27.7
133.10109	16.6
135.11636	10.9
137.09491	2.0
137.13242	8.0
147.11702	14.3
149.13268	12.0
151.14911	1.7
161.13301	15.8
163.14783	8.1
165.16356	6.8
171.69441	1.5
175.14790	12.1
179.17923	3.5
189.16406	7.8
189.70607	1.6
203.17805	2.3
219.21054	2.8
245.22589	44.2
263.23679	100.0
278.12708	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	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05512	3.8
55.64180	3.0
56.31120	3.4
57.07064	14.9
67.05502	51.0
67.80470	3.0
69.07063	13.5
71.08610	5.9
74.95260	3.8
78.14893	3.4
79.05476	18.1
81.07040	72.0
82.00688	3.2
83.08594	14.4
85.06526	6.5
85.10160	4.0
91.05476	14.1
93.07029	22.1
95.08599	67.0
96.82377	3.1
99.08058	3.7
105.07025	7.2
107.08594	20.4
109.10141	45.6
119.08547	7.5
121.10123	21.5
123.11687	13.9
133.10094	17.6
135.11678	13.4
137.08163	3.9
137.09633	4.2
137.13232	4.9
138.95831	3.4
147.11676	23.5
149.13225	15.1
161.08286	4.5
161.13228	17.0
162.08650	4.7
163.14792	7.6
163.31078	3.5
165.16402	5.9
175.14796	7.1
179.09233	7.8
245.22504	49.5
263.20120	11.2
263.23639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05516	9.7
55.20824	1.1
57.03426	2.6
57.07066	11.7
57.08557	1.1
63.12082	1.2
67.05496	63.8
69.07057	16.7
69.77761	1.4
71.08605	8.1
79.05488	18.7
81.07048	100.0
83.08620	17.5
84.34835	1.2
85.06522	2.8
85.10151	2.7
85.31390	1.1
91.05467	10.7
93.07027	25.2
95.08589	91.2
97.06519	10.2
97.10160	11.7
99.08064	7.2
105.07000	6.9
107.08582	16.1
109.10139	54.6
111.08043	5.9
113.09605	2.4
119.08567	12.5
121.10130	19.1
123.08021	2.1
123.11683	24.1
124.33096	1.3
133.10092	17.1
135.11670	13.6
137.09676	1.7
137.13206	10.9
141.12756	1.7
147.11685	12.6
149.13245	10.7
150.93423	1.5
151.11111	1.7
151.14767	8.2
153.12704	1.4
161.13173	11.6
163.14755	10.6
165.16328	9.0
171.38626	1.3
175.14780	8.7
179.17914	2.9
184.17996	1.4
189.16389	1.4
242.51758	1.5
245.22575	38.3
263.23615	75.6
278.39999	1.3
280.60947	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.56360	2.0
55.05498	4.9
57.07057	4.2
59.55079	2.2
65.69926	2.5
67.05498	49.5
69.07041	9.4
71.08616	3.0
79.05479	12.4
81.07053	72.5
83.08614	13.7
91.05473	4.4
91.10381	2.3
93.07023	11.8
95.08593	61.9
97.06504	4.8
97.10139	4.7
97.56318	2.4
99.08100	3.2
105.07043	5.1
107.08603	11.1
109.10165	39.4
117.60962	2.1
119.08589	5.8
121.10131	12.6
123.11708	22.2
133.10147	15.3
135.11646	3.9
137.13264	4.3
147.11667	4.2
149.13278	10.1
151.14835	7.6
161.13249	11.5
163.14821	5.6
165.16368	11.7
173.93330	2.4
175.14809	10.0
179.17880	3.8
189.16382	3.8
235.42722	2.4
245.22581	44.3
263.23648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05501	11.5
57.03439	1.9
57.07072	19.8
67.05501	74.7
69.07051	19.3
71.08611	10.4
72.94019	1.9
79.05473	16.4
81.07050	100.0
81.91818	1.9
83.08609	15.2
85.10171	4.7
91.05434	16.4
92.17417	3.0
93.07008	22.0
95.08596	87.9
97.06515	10.4
97.10151	9.3
99.08015	6.8
105.07021	12.7
107.08585	20.1
109.10136	49.6
111.08052	3.9
113.09656	2.6
116.80704	2.4
119.08562	17.1
121.10103	24.8
123.08066	3.2
123.10896	3.0
123.11691	25.2
123.51696	2.8
127.11200	2.1
133.10101	20.1
135.11662	13.1
137.13231	4.5
141.12766	2.5
147.11665	17.3
149.13232	11.8
151.14798	10.2
156.95244	1.9
161.13286	16.0
163.14827	8.3
165.16367	3.5
175.14790	10.6
179.17946	4.7
181.15848	2.3
189.16277	2.8
245.22592	54.0
263.20224	3.2
263.23627	76.8
268.18924	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	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.88683	2.5
55.05490	5.5
57.07065	12.8
67.05486	44.9
69.07053	14.4
79.05454	13.5
81.07041	77.7
81.14538	3.1
83.08602	13.5
85.10156	4.6
88.63924	2.7
91.05453	5.3
93.07013	19.6
95.08577	84.8
97.10137	3.7
99.08089	3.7
99.51766	3.2
105.07017	7.5
107.08585	6.4
109.10136	37.8
119.08530	13.6
121.10114	28.1
123.08089	3.9
123.11680	15.5
133.10115	6.4
135.11685	17.9
137.09550	4.0
137.13281	6.2
139.90694	3.6
146.56052	2.9
147.11665	7.1
149.13199	7.5
151.14781	5.6
161.13268	7.5
163.14781	14.9
164.27489	3.1
175.14746	6.3
175.32022	3.5
186.20142	3.4
226.25586	3.5
228.09367	3.3
245.22552	24.1
263.23605	100.0
270.24783	3.3
271.20834	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	264.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.6
55.93523	22.9
56.96535	1.7
57.03434	2.0
61.02932	2.3
69.03408	6.3
71.92974	6.1
72.93768	27.0
73.02899	7.3
73.06558	12.2
73.94566	2.1
79.02190	2.0
81.03406	3.9
85.02900	14.4
86.09694	11.0
87.03159	2.9
89.94022	3.7
90.94812	54.0
97.02876	8.5
98.97562	3.8
99.04479	2.3
101.39915	1.5
105.93513	2.4
105.97135	8.5
108.95857	8.0
114.94785	2.4
115.03938	1.8
116.96346	46.8
116.98585	2.6
117.97099	1.7
120.01987	2.3
122.96957	1.6
124.50107	1.7
125.96062	2.0
127.03934	2.4
128.96320	8.1
131.05693	8.9
131.95030	3.7
131.98680	61.4
132.95811	29.3
133.96603	8.0
134.97383	25.9
134.99635	1.9
135.94519	24.7
138.05249	5.9
142.97893	39.1
143.01942	7.1
143.98663	4.1
145.96480	2.2
146.97377	7.3
147.05763	14.5
148.26607	1.8
149.06610	2.5
149.96078	41.2
149.99606	1.8
150.96849	32.8
153.95586	14.5
156.06285	3.6
156.95860	2.1
157.96637	2.0
158.00204	30.0
158.97379	4.0
159.05759	2.1
159.98135	33.1
160.98929	33.8
161.02940	2.9
165.95580	2.8
167.97108	21.5
170.97351	18.4
173.02983	2.1
173.06598	10.7
174.06703	32.8
175.97662	7.0
176.98398	6.6
177.99200	3.8
182.11740	10.2
184.00662	1.9
185.02930	2.3
185.99701	100.0
188.98421	22.2
190.07103	2.0
191.07635	11.6
191.97105	3.9
192.07765	42.5
200.12785	39.6
203.04019	3.6
203.07661	2.0
204.00748	93.9
215.09447	1.7
218.13934	6.4
219.07854	8.1
222.01828	43.8
227.02336	3.0
228.12259	19.1
246.13315	27.0
246.40736	1.8
264.14188	1.9
275.09625	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	264.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10720	12.2
56.05024	14.3
57.03412	17.5
61.01128	14.6
69.03408	32.1
73.02924	17.7
74.06057	12.7
79.02167	24.2
80.02939	14.5
84.04483	85.8
85.02885	94.3
86.09670	18.5
92.77526	12.9
97.02879	33.1
100.42654	14.0
118.08649	69.0
119.08975	31.9
127.03960	16.6
131.05792	14.7
134.04497	15.0
143.01949	23.0
146.09259	15.4
155.01891	32.2
161.02892	18.8
173.02914	33.3
175.00606	15.6
180.02373	16.6
181.01910	26.0
192.02397	22.8
194.63045	14.1
200.12762	64.0
245.05025	100.0
246.09718	23.9
246.13326	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	265.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59829	1.1
55.54571	1.2
57.07059	1.5
67.05489	2.9
67.15489	1.1
69.07047	2.3
71.04996	1.7
81.07049	5.9
91.05418	1.9
93.07014	5.2
95.04921	1.8
95.08562	6.1
107.08617	4.6
109.10144	2.8
117.07011	1.4
119.08543	1.4
121.06438	1.6
121.10069	2.3
122.07116	9.1
123.08077	1.3
123.11740	2.1
128.06184	2.3
129.06982	14.2
131.08556	5.6
135.11678	2.5
143.08539	5.9
144.05676	2.0
145.06441	2.1
145.10112	5.3
155.04839	9.7
157.06447	8.5
158.07306	2.1
160.05128	2.1
161.09624	2.1
171.07991	1.7
172.05139	1.8
172.08739	1.7
173.05942	5.2
174.06715	27.9
175.07501	28.0
183.04324	1.6
187.07492	83.8
188.08313	19.1
189.09064	29.3
191.06987	1.5
201.05417	2.5
203.07057	11.8
203.10701	1.5
205.04877	14.9
205.08562	2.7
205.12241	1.6
215.06943	75.9
215.32738	1.4
233.08028	100.0
247.09608	24.8
247.16946	1.6
247.35783	1.6
265.10837	2.3
265.17944	1.8
265.25436	2.2
289.27039	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	265.1114
Annotation	Thiamine
Peak:m/z	Relative Intensity
58.58365	0.2
65.89922	0.2
81.04527	5.4
84.73056	0.2
85.51143	0.2
96.69473	0.2
114.68298	0.2
118.08645	0.2
120.24516	0.2
122.07130	100.0
136.18091	0.2
144.04762	25.0
159.37276	0.2
170.01137	0.3
198.51511	0.2
265.11176	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	265.1332
Annotation	dmbi
Peak:m/z	Relative Intensity
50.14597	0.1
55.05482	0.1
57.07071	0.1
57.07414	0.1
58.37171	0.1
59.58864	0.1
61.48021	0.1
66.42411	0.1
66.77161	0.1
67.05521	0.2
79.05479	0.3
81.07047	0.1
83.08604	0.2
91.05470	0.1
95.04951	1.1
95.08598	0.2
105.03390	23.9
107.08574	0.1
109.10109	0.2
112.96722	0.1
115.05391	0.2
117.06993	0.9
121.10157	0.2
122.06030	1.9
122.07165	0.2
131.08560	0.3
132.08089	0.2
143.07300	0.5
144.08076	100.0
148.07610	0.6
170.07722	0.1
203.10725	0.2
220.11169	0.2
220.17889	0.5
230.09669	0.3
233.08344	1.5
234.92224	0.2
247.16946	0.2
248.10686	3.1
265.13315	6.4
265.19608	0.3
265.25302	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	265.143
Annotation	Hydroxyanthecotulide
Peak:m/z	Relative Intensity
51.05564	2.3
54.13220	2.3
55.05484	3.1
55.21580	2.7
57.07065	14.8
59.04988	5.2
67.05482	3.6
69.03431	6.0
69.07045	4.2
81.03390	3.5
81.07050	13.8
83.04949	11.7
85.02881	4.9
91.05476	6.7
93.07030	20.6
95.04952	6.9
95.08572	13.3
97.02874	3.3
97.06506	15.1
99.04466	3.3
105.06991	7.4
106.01140	2.9
107.08601	25.9
109.02827	3.1
109.06488	24.6
109.10138	14.1
111.04395	7.5
111.08067	17.4
117.07001	16.5
119.08549	32.3
121.02831	12.3
121.06475	37.4
121.10089	16.9
122.07174	12.6
123.07973	6.2
125.09634	11.9
129.06964	4.3
131.08546	4.6
133.10106	7.5
135.08044	78.5
135.11684	13.4
137.09573	4.2
139.03856	6.0
139.07416	3.3
143.08601	4.2
145.06456	25.9
147.08015	6.2
149.05968	18.8
149.09593	6.7
151.07538	16.2
153.09090	17.0
155.04929	3.2
159.10320	3.3
159.11652	19.1
161.09546	11.8
161.13126	2.9
163.07487	72.6
163.11174	5.2
164.15448	3.1
173.05988	5.4
173.13174	11.2
174.06744	7.2
175.07507	10.6
177.12688	14.1
181.08574	32.1
186.91417	3.9
187.07535	27.6
187.11160	20.8
188.08224	6.1
189.09122	6.3
191.07021	17.3
201.12755	15.9
205.04950	3.4
205.12265	15.9
209.08057	42.5
215.07007	19.5
219.13896	4.6
220.39539	3.3
229.12187	7.1
233.08086	33.4
247.09389	4.9
247.13264	19.8
265.14285	100.0
265.25201	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
54.24016	2.0
55.05503	10.7
60.10973	2.2
61.57256	1.9
67.05496	13.2
69.03416	29.8
69.07055	3.7
71.04985	5.0
79.05452	4.3
81.07047	10.4
83.04980	2.9
91.05487	16.6
92.01728	2.3
93.07038	27.7
95.04956	33.9
95.08619	16.5
97.06516	2.8
99.03795	2.6
99.04412	7.7
105.07028	45.8
106.02110	2.2
107.04936	3.1
107.08595	17.9
109.02926	2.9
109.06512	30.4
109.10165	4.2
111.04438	22.2
111.08050	4.8
113.05987	12.3
117.06995	4.7
119.08569	60.0
120.80325	3.0
121.02838	21.4
121.06496	39.6
121.10127	10.3
122.07133	24.3
123.08025	17.4
129.07069	3.4
131.08578	25.4
133.06506	2.9
133.10153	11.8
135.08044	59.3
137.05984	3.3
137.09583	9.7
139.03911	10.8
139.07506	3.4
141.07001	3.8
142.07806	3.2
143.08530	11.2
144.04765	3.0
145.06477	9.1
145.10104	26.4
147.08049	33.9
147.11662	15.9
149.09615	13.5
153.09087	3.0
155.08578	2.4
157.10095	21.2
158.07248	16.0
159.08034	33.6
159.11671	32.2
161.09592	40.1
161.13213	3.4
165.09117	28.1
169.10114	5.6
171.11687	5.3
172.08858	18.1
173.09572	19.4
173.13268	16.1
175.04132	2.4
175.07520	60.1
175.11150	38.9
177.05435	9.4
181.10046	2.8
183.11671	12.7
185.09593	5.4
185.81042	2.3
186.10353	2.9
186.35188	2.4
187.11166	38.0
188.08420	2.9
189.09126	11.7
189.12718	15.5
193.08592	12.5
196.08887	4.6
199.11171	14.9
201.12775	31.6
203.10622	35.6
205.12230	5.1
211.11143	18.0
217.12202	16.2
219.06712	2.8
219.13788	5.1
229.12251	24.5
235.13339	8.6
247.13266	51.6
265.14313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.143
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05489	1.4
63.58567	0.9
67.05476	3.8
69.03401	9.4
69.07035	5.0
71.04977	1.4
72.08134	11.4
73.02850	1.0
79.05457	4.7
81.03370	1.0
81.07030	5.7
83.08567	1.6
86.09645	1.1
89.10746	7.3
91.05470	1.6
93.07003	8.9
95.04945	10.9
95.08576	6.1
97.02862	1.2
97.06480	1.2
98.06022	0.9
99.04463	1.0
105.07014	8.7
107.08564	4.5
109.06487	5.5
109.10101	1.9
111.04420	5.6
111.08070	1.8
113.05990	1.5
115.08687	1.0
117.03345	4.4
117.06925	0.9
119.08541	14.3
120.42006	1.0
121.02814	8.4
121.05688	0.9
121.06448	9.8
121.10107	4.7
122.07119	13.6
123.08074	2.8
131.08539	7.3
133.06387	1.2
133.10085	4.3
135.08009	13.4
137.09608	2.3
139.03889	1.9
143.08479	2.2
144.04733	2.0
144.09254	1.1
145.02808	39.2
145.06468	1.6
145.10114	6.3
147.08012	13.1
147.11667	3.4
149.05980	1.3
149.09587	2.0
149.13240	1.1
151.07481	1.5
152.97949	0.9
157.10063	5.9
158.07181	4.1
159.07964	8.1
159.11624	9.5
159.31177	1.0
161.09584	11.4
165.09081	5.9
171.11694	2.2
172.08817	5.4
173.09605	5.3
173.13176	5.9
175.03867	1.8
175.07486	16.8
175.11095	8.4
177.05412	100.0
183.11682	2.2
185.09554	1.5
186.72528	0.9
187.11116	10.7
189.09052	1.7
189.12761	2.1
191.06915	1.4
193.08505	1.9
199.11180	4.1
201.12698	6.8
202.15883	0.9
203.10628	9.1
211.11157	4.7
217.12210	5.3
219.13773	1.3
229.09958	1.3
229.12067	6.3
244.41460	0.9
247.13193	12.2
248.12650	1.7
265.14822	20.0
265.25143	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.11230	0.7
55.05508	1.3
57.97814	0.7
64.36932	0.7
69.03431	6.0
69.07069	1.7
71.04984	3.1
72.08156	11.8
77.06469	0.7
79.05479	3.0
80.26364	0.7
81.03412	1.7
81.07053	3.7
83.08626	1.0
86.09695	1.0
89.10784	8.2
90.87999	0.7
90.88697	0.7
91.05478	3.8
92.16872	1.1
93.07032	7.3
95.04971	7.4
95.08603	5.0
97.02837	1.0
97.06503	1.7
99.04442	1.1
102.65870	0.8
105.07030	6.9
107.08611	3.1
109.02884	1.1
109.06508	5.5
109.10133	1.9
111.04440	4.7
111.08029	1.0
113.05936	2.1
115.08695	1.6
117.03363	2.0
117.07002	1.2
119.04891	0.8
119.08572	10.6
121.02859	12.3
121.06492	6.0
121.10118	3.4
122.07130	15.7
123.08089	4.0
131.08519	7.8
133.06528	1.2
133.10109	3.6
135.08055	12.9
137.05998	0.9
137.09610	1.1
139.03864	0.9
143.08562	3.5
144.04747	3.1
145.02838	36.0
145.03954	1.6
145.10101	4.8
146.41072	0.9
147.08043	6.9
147.11746	2.7
149.05997	1.7
149.09619	1.9
157.10172	3.1
158.07303	3.4
159.08070	7.4
159.11723	7.6
161.09570	7.9
161.13170	1.2
163.07500	1.3
165.09050	5.7
169.10152	0.8
171.08043	0.9
171.11736	1.1
172.08888	1.3
173.09645	4.1
173.13214	3.9
175.04013	1.4
175.07523	12.4
175.11136	7.1
177.05441	100.0
183.11711	3.1
187.11157	7.2
189.09106	1.2
189.12784	1.9
191.07085	3.1
191.10858	0.9
193.08563	1.8
196.08916	1.3
198.76373	0.8
199.11182	0.9
201.12735	5.4
203.10684	6.8
205.12389	1.0
211.11148	1.9
217.12195	4.4
219.06462	1.9
219.13620	0.9
229.10216	0.9
229.12268	4.7
233.56996	0.8
235.13364	1.4
237.53766	0.8
237.68958	0.9
247.13188	7.6
248.12747	3.0
265.07098	1.9
265.11179	1.4
265.14587	16.0
265.25159	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	265.1542
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
53.52115	0.2
66.38049	0.1
67.05463	0.2
72.08138	11.1
77.81011	0.2
79.05463	0.2
89.03887	1.0
89.10770	9.5
95.04913	0.2
95.08554	0.2
98.06013	0.6
103.11131	0.2
105.06979	0.2
115.08643	1.0
117.03345	3.6
121.02852	0.8
122.07131	2.4
131.08534	0.3
135.08012	0.3
144.04723	0.9
145.02814	36.8
149.05936	1.7
159.08057	0.2
159.11667	0.3
161.09544	0.3
173.19820	0.2
175.07356	0.5
175.11148	0.4
177.05421	100.0
187.11156	0.2
201.04210	0.2
203.10635	0.3
213.46802	0.2
248.12784	3.9
265.10507	0.7
265.15417	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	265.1542
Annotation	Val Phe
Peak:m/z	Relative Intensity
50.82538	0.3
55.05508	7.5
57.05811	0.4
57.07059	0.3
61.42798	0.3
63.48463	0.3
67.05518	0.4
69.07047	0.3
70.06579	0.3
72.08143	100.0
73.15035	0.3
81.03393	0.4
84.04498	0.4
91.05440	0.4
93.07062	0.3
95.08635	0.5
107.08549	0.5
116.07043	0.4
120.08076	11.9
122.07100	3.0
130.05003	1.8
144.04778	0.6
145.02907	1.7
166.07275	0.5
166.08575	11.8
166.09862	0.5
177.05440	6.8
183.05872	0.4
195.02991	0.5
198.02864	0.4
206.07957	0.6
207.06612	0.4
219.20905	0.4
265.07111	0.7
265.11737	0.6
265.15509	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	265.2522
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
52.38058	1.5
55.05509	40.0
57.03423	3.3
57.07070	34.8
62.44827	1.9
67.05497	57.3
69.07056	100.0
71.04969	2.6
71.08611	15.2
79.05488	27.1
80.94459	1.8
81.07050	68.7
83.08612	82.6
85.06532	3.1
85.10170	8.1
89.34631	1.8
92.54630	1.8
93.07034	37.1
95.08591	72.8
97.06518	16.1
97.10149	63.6
98.16208	1.8
99.08076	2.6
107.08569	31.6
109.10145	39.1
111.08048	11.4
111.11695	21.3
114.50963	1.8
121.10123	74.7
121.52639	2.2
123.11688	11.3
125.09623	3.6
125.13255	2.2
127.11202	2.5
133.10095	2.3
135.11676	54.9
137.13272	2.7
139.11185	3.0
140.38879	2.1
149.13211	21.4
151.14786	2.7
153.12743	3.2
163.14821	8.6
166.08403	1.9
176.54964	2.0
177.16440	3.4
207.12169	2.5
247.24098	31.6
265.25223	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	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.05512	25.0
56.38487	1.5
56.53538	1.6
57.03420	2.0
57.07074	13.8
57.74437	1.7
58.75549	1.5
63.64777	1.8
67.05495	36.0
69.06718	2.5
69.07062	59.7
71.04973	3.4
71.08608	9.6
79.05489	15.0
81.07051	47.4
83.08611	55.2
85.06536	2.5
85.10181	3.8
92.17082	2.5
93.07023	25.9
95.08008	2.8
95.08590	49.5
97.06519	9.0
97.10167	38.3
104.27608	2.2
104.97766	1.6
107.08585	19.0
109.10142	24.0
111.08060	11.4
111.11701	11.7
121.10129	57.4
122.07117	1.8
123.11655	9.4
135.11679	32.9
137.13225	3.4
139.11113	3.4
143.14316	2.1
149.13249	22.5
151.14796	3.2
163.14778	3.3
165.16388	3.3
176.93867	1.8
177.16269	3.1
205.19496	2.5
247.24162	37.0
265.25226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2522
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03942	1.2
55.05275	1.2
55.05509	26.1
57.03405	1.9
57.07072	20.3
59.06098	1.4
67.05501	40.2
69.07058	67.5
71.04971	2.4
71.08630	11.5
74.84658	1.0
78.88809	1.1
79.05480	16.2
81.06596	1.8
81.07048	49.7
82.15575	1.0
83.08108	2.0
83.08606	57.8
84.61325	1.1
85.06519	2.5
85.10164	5.0
91.05444	1.7
92.17462	1.4
93.07033	27.0
95.07987	2.4
95.08588	56.2
97.06512	13.1
97.10155	41.7
99.08073	4.6
107.08575	22.3
109.10146	24.4
111.08085	10.4
111.11683	10.9
112.34354	1.1
113.09620	1.3
121.10120	56.6
123.11684	11.5
125.09630	1.7
125.13245	2.3
135.11671	35.3
137.13194	4.7
137.27019	1.1
139.11150	4.6
149.13234	15.5
151.14815	4.8
152.53168	1.2
154.69800	1.2
163.14777	6.9
165.16356	2.1
175.67577	1.3
177.16388	2.5
191.17937	2.4
247.24138	29.6
261.52405	1.1
265.13864	1.1
265.22128	3.2
265.25201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31348	0.6
54.36563	0.7
56.81207	0.7
76.99291	0.7
77.05409	0.9
77.21559	0.7
77.84565	0.8
105.45736	0.7
106.64944	0.8
119.01910	3.7
119.97595	0.7
177.00993	3.8
179.70334	0.7
217.04022	1.6
218.78265	0.8
219.02000	19.2
219.94566	4.1
220.02051	5.5
225.00775	1.2
237.95383	1.3
242.96062	3.5
243.01875	11.0
261.03043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35784	0.8
53.75957	1.0
54.81693	0.9
59.04984	2.3
60.04500	6.5
60.09475	0.8
70.02939	1.4
87.04458	1.5
88.03973	48.9
88.04784	1.8
89.06000	2.1
91.05457	65.0
102.05524	100.0
120.63049	1.1
130.04942	1.5
146.46352	1.0
148.06009	51.1
161.57796	1.1
175.03873	4.2
179.95465	1.2
187.92587	1.1
207.06497	4.7
220.09659	5.6
248.09129	2.3
248.13345	1.6
266.10242	2.5
266.13864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78473	0.4
51.43024	0.4
51.74930	0.4
52.80642	0.5
55.05221	0.5
56.94695	0.5
57.03424	0.6
60.08143	3.7
69.03403	1.3
73.02889	2.3
75.17470	0.5
85.02867	3.0
87.04449	5.0
97.02847	0.7
99.04422	1.3
104.10717	23.0
107.93429	0.5
108.63457	0.5
117.62064	0.5
127.03893	1.3
129.05417	1.0
188.81253	0.7
266.15906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	40.9
55.49750	3.6
56.05846	8.8
57.07063	11.5
65.17256	4.5
67.05499	39.6
68.05839	6.5
69.07064	65.3
70.07391	18.7
77.18010	4.4
79.05482	18.8
81.07048	46.0
81.30711	4.6
82.07375	10.1
83.08615	51.4
84.08933	24.8
86.15842	4.1
87.53470	4.8
87.94708	4.2
93.07027	27.5
94.07349	9.6
95.08603	43.4
96.08920	34.4
97.06536	6.8
97.10175	32.8
98.10487	17.2
107.08581	23.4
108.08939	8.9
109.10126	24.0
110.10476	20.2
110.65385	4.6
111.11721	8.7
120.70020	6.5
121.10132	33.9
122.10459	31.5
123.11710	7.4
124.12028	5.4
135.11682	30.4
136.12030	27.4
149.13304	9.1
149.82603	4.7
150.13588	9.2
164.15176	5.3
248.24416	45.5
266.25592	100.0
285.07025	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	267.1589
Annotation	Grangolide
Peak:m/z	Relative Intensity
55.05500	5.6
62.16797	6.5
67.05486	12.2
68.59568	5.3
69.03413	12.9
69.07074	25.0
70.64305	5.2
71.04977	9.0
79.05500	7.5
81.07060	11.0
83.04984	5.8
83.70461	5.9
85.06555	7.6
93.07054	11.2
95.04977	12.0
95.08599	43.4
97.06514	26.5
99.04453	38.7
99.08092	26.7
105.07037	13.3
107.08574	25.6
109.06513	7.5
109.10150	24.3
111.08090	12.3
119.08571	14.0
121.06499	6.6
121.10107	15.0
123.08069	13.3
125.05975	27.4
125.09629	7.7
127.07576	9.5
131.08563	11.9
133.10114	26.2
135.08020	7.4
135.11757	9.5
139.07585	7.9
142.67049	6.7
143.08528	13.5
145.10114	25.4
147.11674	9.4
149.09579	26.4
167.10666	35.1
171.11658	9.1
173.09659	9.3
185.11679	7.1
189.12746	23.8
191.10730	28.6
207.13896	11.3
209.11714	100.0
231.13808	25.3
249.14790	29.4
249.18350	9.0
267.06796	6.7
267.12033	62.2
267.15518	61.6
267.21210	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	267.1775
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
53.70052	1.1
73.02868	1.1
81.07041	2.1
89.06007	1.3
92.06257	1.3
92.78654	1.3
93.07034	2.3
95.08587	2.8
99.88876	1.3
107.08555	1.5
109.10110	5.1
112.84049	1.3
112.90060	1.3
116.86552	1.2
121.10120	2.1
123.11685	2.4
133.10098	1.5
135.11685	2.3
144.78923	1.1
161.00334	1.1
161.13242	2.0
183.72702	1.2
217.19460	8.1
251.53296	1.2
267.17728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13424	0.6
55.05499	1.1
60.49470	0.6
63.13826	0.6
67.05492	4.1
69.07048	2.5
71.87489	0.8
74.95946	0.7
79.05485	1.1
81.03387	0.8
81.07044	12.0
83.08582	1.4
86.71684	0.6
91.05430	2.7
93.07030	5.0
95.08588	10.6
105.07023	8.5
107.08588	7.9
109.10137	7.6
117.07005	0.8
119.08570	8.8
121.10117	4.3
123.11674	4.1
129.06976	1.4
131.08551	8.5
133.10095	4.7
135.11697	2.9
143.08537	8.9
145.10114	9.7
147.11685	2.9
155.08542	7.2
157.10077	10.1
159.11684	9.6
161.13234	1.5
169.10091	11.7
171.11688	8.4
173.13237	7.8
175.14906	0.8
182.10904	1.1
183.11668	16.1
185.13243	10.3
187.14830	1.6
196.12430	1.0
197.13264	13.5
199.14787	11.6
209.13226	1.1
211.14778	25.2
217.19551	0.9
223.14874	0.8
225.16342	19.4
236.39563	0.7
238.17172	0.9
239.17946	11.3
242.32765	0.7
252.18663	1.5
267.17877	7.2
267.21017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78614	0.9
55.05489	1.6
57.07058	1.1
60.40805	0.9
67.05483	2.3
69.07050	4.1
79.05478	1.9
81.03418	1.2
81.07036	9.2
83.08591	2.1
91.05480	2.1
93.07004	10.6
95.08606	14.6
105.07008	14.9
107.08593	7.7
109.10136	12.4
119.08541	7.9
121.10156	8.0
123.11645	1.5
131.08543	6.3
133.10097	10.3
135.11665	4.4
143.08508	10.7
145.10060	7.3
147.11679	5.1
155.08485	2.1
157.10068	11.6
159.11601	8.7
161.13223	4.9
165.07249	1.0
169.10130	1.8
171.11638	4.7
173.13200	22.3
183.07945	1.2
183.11670	6.7
185.13246	5.6
197.13181	7.5
211.14780	6.4
217.19479	5.0
225.12650	4.4
225.16287	2.5
239.17865	18.2
267.17694	41.5
267.21027	100.0
269.00024	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	267.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.2
57.03433	2.0
57.07061	2.1
58.06892	1.8
67.05495	11.2
69.07054	13.4
69.93938	1.8
75.66666	1.8
78.24351	1.9
79.05466	2.2
81.07043	22.3
83.08627	7.6
90.95229	2.0
91.03811	2.0
91.05460	2.4
93.07001	7.6
95.08606	18.0
105.07010	11.8
107.08577	10.6
109.10155	10.5
112.51275	2.1
119.08562	10.9
121.10134	10.3
123.11680	31.4
123.89290	2.0
131.08571	8.5
133.10132	8.4
135.11682	2.4
140.08339	2.1
143.08557	12.0
145.10095	15.4
147.11662	10.2
154.06659	2.0
155.08549	8.6
157.10127	17.6
159.11679	20.0
161.13185	2.4
163.80635	2.4
169.10141	20.2
171.11667	16.1
173.13293	5.0
183.11676	20.9
185.13232	3.9
197.13234	20.5
199.14880	3.0
209.13217	2.3
211.14796	29.5
224.15594	4.0
225.16341	12.8
239.17879	2.5
267.17715	28.7
267.21042	100.0
289.67554	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	268.0962
Annotation	PD 98059
Peak:m/z	Relative Intensity
51.44357	0.2
57.32212	0.2
65.65876	0.2
67.00671	0.2
95.04922	0.4
103.05442	16.1
107.08547	0.3
109.35883	0.3
111.96153	0.3
112.50780	0.3
120.04441	18.3
131.04898	100.0
131.79178	0.2
136.06146	2.0
156.59743	0.3
227.14627	1.7
227.17644	0.4
268.20996	0.4
275.26602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74856	0.5
56.24905	0.5
66.29225	0.5
66.81160	0.6
75.47843	0.6
76.00867	0.5
78.98538	6.7
81.07037	0.6
120.99533	3.9
125.15291	0.6
129.04572	0.5
130.07675	1.2
131.08553	0.9
132.08064	6.7
133.08855	23.4
134.02663	0.7
136.06165	3.8
139.00551	2.7
146.09616	3.4
147.10403	16.3
148.11191	100.0
156.08081	0.9
161.08334	13.4
171.10342	4.0
174.09126	6.4
184.09940	1.4
184.11632	0.7
188.10686	1.3
189.11407	8.8
204.09044	1.0
208.59425	0.6
227.14633	2.8
268.09964	33.4
268.17831	1.0
268.21359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.03431	0.5
59.15662	0.1
60.04522	0.1
63.07253	0.1
69.03439	0.2
71.01350	0.2
73.02924	0.1
83.12770	0.1
85.02889	0.6
106.05011	0.2
115.03902	0.2
119.03510	0.2
122.07139	0.2
130.05054	0.1
133.04970	0.3
136.06177	100.0
152.05615	0.2
241.29070	0.1
268.10355	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	268.1034
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.91918	0.1
54.95123	0.2
56.92603	0.1
57.03421	0.3
60.16974	0.1
60.89801	0.1
63.74018	0.1
69.03404	0.2
85.02898	0.2
113.47644	0.2
126.94891	0.1
136.06157	100.0
144.01257	0.1
212.60005	0.2
213.01826	0.2
268.10327	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	268.1326
Annotation	cinnamoyltyramine
Peak:m/z	Relative Intensity
81.84695	0.6
89.84502	0.6
91.05456	1.2
93.06997	4.4
95.04949	0.8
103.05453	9.7
104.49123	0.6
107.08434	0.6
121.06474	58.4
131.04895	100.0
136.06168	3.7
144.98775	0.6
148.07611	1.0
184.10010	0.8
268.13239	16.5
268.15863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1602
Annotation	Histidylleucine
Peak:m/z	Relative Intensity
57.03419	0.6
57.07041	0.6
60.04513	0.7
67.05475	0.6
69.03405	0.4
69.07047	0.5
70.06590	0.4
71.04967	0.6
71.08573	0.4
76.16333	0.4
79.05464	0.4
81.07029	0.9
83.06087	2.3
85.02902	0.5
86.09680	0.9
93.04492	1.8
93.88166	0.5
95.08595	0.8
107.80246	0.4
110.03493	0.6
110.07137	72.6
121.10059	0.4
122.07108	1.0
136.06151	3.3
136.07500	0.9
137.04556	100.0
137.06345	2.5
138.06602	2.1
149.13220	0.4
152.06982	0.4
156.07622	5.5
165.05421	0.5
178.13335	2.4
182.08058	0.6
223.15465	4.3
226.14574	0.6
251.14949	4.2
251.20018	0.7
269.11511	0.9
269.16043	12.8
269.18771	0.7
269.24542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23529	2.4
55.05500	12.6
56.96555	5.6
57.03426	6.2
57.07070	3.7
66.49856	2.6
67.05497	32.1
69.07059	17.6
71.04972	2.9
71.08627	4.0
79.05479	19.5
81.07051	54.1
83.08604	17.6
91.05425	4.6
92.16800	6.0
93.07018	37.6
95.04989	3.3
95.08587	37.7
97.10148	3.4
104.99252	12.5
105.07016	13.8
107.08574	32.3
109.10134	43.7
112.70177	3.4
117.06989	4.2
119.08546	22.3
121.10092	37.1
121.85237	2.7
123.08067	4.6
123.11718	3.0
131.08539	11.3
133.10060	14.5
135.11668	12.1
145.10110	7.5
147.11658	28.5
149.13232	18.4
157.10088	6.1
159.11624	22.0
161.13161	9.8
167.08490	3.3
173.13297	6.7
175.93036	3.1
183.11659	7.5
185.13223	12.9
187.27728	3.4
196.09209	3.3
199.14778	12.3
205.09961	3.9
207.60323	3.1
213.16353	13.7
215.17935	3.6
217.07552	3.2
223.04597	3.6
227.18062	3.3
241.05507	12.4
246.06102	4.5
269.17392	18.2
269.19360	5.9
269.22507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.05521	11.7
57.03435	31.1
57.07060	4.9
65.12211	1.1
67.05502	66.2
69.07060	27.5
71.04964	7.8
73.58451	1.1
79.05042	1.5
79.05485	39.7
81.07051	100.0
83.04972	9.2
83.08616	22.1
85.06525	6.7
85.95210	1.3
90.77790	1.2
91.05466	16.7
93.06450	2.7
93.07032	74.2
95.04929	5.9
95.08598	27.8
97.06526	16.0
97.10118	1.6
99.08064	4.9
99.95706	1.0
103.83477	1.2
105.06992	8.2
107.07908	2.0
107.08580	42.7
109.06493	1.8
109.10132	5.7
111.08062	10.5
117.07020	15.3
119.08534	2.0
120.50986	1.2
121.10120	21.6
123.11675	7.1
131.08559	15.2
133.10109	12.2
135.08023	1.5
135.11665	11.9
137.01970	1.2
139.11194	1.8
141.33591	1.7
147.11693	1.9
149.13234	38.7
157.09981	1.5
159.11652	26.3
161.13177	1.5
167.14278	1.7
171.01822	1.4
177.12741	16.7
179.14311	2.2
182.07738	1.3
190.02113	1.3
195.13742	16.2
195.64807	1.4
206.93738	1.2
233.03780	1.3
251.16284	1.5
269.17380	89.4
269.22339	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	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.79640	1.3
55.01855	1.8
55.05509	15.2
57.03429	29.9
57.07038	8.4
59.04972	1.6
64.43015	1.4
67.05495	65.5
69.07056	32.7
70.71629	1.4
71.04972	11.4
71.08591	3.5
79.05484	33.6
79.78323	1.3
81.07043	100.0
83.04987	10.7
83.05379	2.1
83.08611	27.5
84.27692	1.7
85.06496	7.3
85.10123	1.7
85.70583	1.3
86.60006	1.4
91.05458	19.7
93.07024	78.4
95.04917	6.1
95.08591	36.9
97.06507	20.3
97.10098	7.0
99.08033	6.2
105.06980	9.8
107.07922	2.2
107.08574	44.7
109.06419	2.7
109.10120	14.3
111.08025	8.6
113.05901	1.7
117.06980	12.7
119.08488	6.5
121.10103	27.3
121.90063	1.4
123.08016	3.3
123.11628	5.9
125.09527	1.9
131.08548	15.6
133.10100	16.1
135.07933	3.4
135.11667	16.3
145.10075	2.1
147.11644	2.7
149.13225	38.2
154.72020	1.5
157.10057	2.2
159.11684	25.9
161.13177	3.6
163.73813	1.5
167.67488	1.5
171.11578	2.1
177.12708	15.9
178.25450	1.5
179.14188	1.9
183.79489	1.7
185.13252	1.8
195.13751	10.6
199.14618	2.1
226.14531	1.9
251.19923	5.9
269.14740	3.1
269.17300	77.3
269.22366	7.8
269.24725	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	269.1893
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
52.19981	0.8
62.24353	0.8
63.35787	0.9
67.05480	6.2
68.69817	1.0
79.05453	2.2
81.07025	2.3
91.05412	1.3
93.07020	4.0
95.08571	1.8
97.06510	39.2
105.07003	2.1
107.08559	2.4
109.10146	8.3
111.06007	1.0
111.08055	1.4
113.24290	1.3
117.06966	4.0
119.08578	1.6
121.06422	5.7
121.10114	4.9
123.08022	1.9
129.06952	6.1
131.08546	1.5
133.10110	1.9
141.07001	1.5
143.08516	7.0
147.08025	1.8
147.11707	1.2
149.09550	2.5
155.08478	2.7
157.10057	4.4
159.11572	2.2
161.09558	2.6
167.08452	1.5
169.10092	1.8
171.11653	4.3
173.09554	15.0
175.11087	2.3
175.40274	1.2
183.11626	5.5
185.13223	20.0
187.11223	1.2
197.13184	5.9
199.11073	2.3
201.12724	7.7
209.13197	1.4
213.12732	8.9
226.13602	1.6
227.14244	4.0
241.15759	2.5
242.18471	1.3
251.17871	4.2
269.18924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1895
Annotation	3-Methoxyestra-1,3,5(10),16-tetraene
Peak:m/z	Relative Intensity
51.22777	1.5
55.05513	3.3
57.07061	3.2
67.05492	10.1
69.03421	2.4
69.07059	7.1
71.04991	2.9
71.08636	2.4
76.33920	1.6
79.05473	7.1
81.07061	12.7
83.08601	3.0
85.06530	6.8
91.05467	2.6
93.07031	15.7
95.08594	16.4
95.35012	1.6
99.04446	2.6
99.08102	3.1
104.59244	1.5
105.07043	12.7
107.08556	9.3
109.06515	4.0
109.10123	12.5
111.08089	6.3
113.05961	2.0
119.08551	12.6
121.06483	3.4
121.10129	9.2
123.08045	7.5
125.09632	8.7
131.08549	8.9
133.10110	4.0
135.08070	3.7
135.11736	2.0
143.08588	3.1
145.10094	13.3
147.08034	10.0
147.11632	3.7
149.09634	4.1
149.13261	2.4
155.08618	2.1
157.10081	12.3
159.08029	1.9
159.11665	7.5
161.09593	8.1
167.32260	1.6
169.10132	8.7
171.11688	9.7
173.09602	6.6
173.13228	2.6
175.11186	6.3
181.10109	2.2
183.11655	3.6
185.09657	3.4
185.13202	6.2
185.34486	1.8
187.11191	7.1
195.11649	11.9
197.13307	11.1
199.11183	7.7
199.14844	3.2
200.68553	2.0
205.12036	1.7
209.13258	8.2
211.14905	2.9
211.83955	1.7
213.12746	11.1
217.33073	1.8
223.14828	3.2
225.16437	2.6
227.14278	7.4
233.11679	2.0
233.15407	2.0
241.15857	9.1
251.18098	6.0
258.90863	1.9
269.08102	2.4
269.18991	100.0
269.21988	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	269.1899
Annotation	3-Methoxyestra-1,3,5(10),16-tetraene
Peak:m/z	Relative Intensity
55.05505	2.5
67.05507	11.4
67.05807	1.1
69.07053	1.6
71.49251	1.0
71.97471	1.0
76.54459	1.2
79.05467	1.1
81.07060	22.9
91.05447	1.7
93.07022	6.6
95.08139	1.1
95.08615	23.2
97.06532	1.1
101.58018	1.0
105.07037	4.8
107.08589	7.8
109.10153	19.7
110.92561	1.1
119.08604	8.5
121.10153	5.0
123.11716	11.1
129.07010	1.3
131.08546	7.8
133.10146	10.8
135.11679	2.0
141.98322	1.4
143.08549	6.1
145.10117	16.4
147.08028	6.6
147.11674	7.0
149.09654	2.1
155.08511	1.6
157.10092	10.1
159.08075	8.1
159.11642	8.0
161.09613	28.7
161.13242	1.4
163.11174	2.0
169.10135	6.0
171.08057	1.6
171.11700	8.0
173.09639	12.9
173.13243	2.7
175.11192	22.2
183.11658	1.7
185.09653	2.6
185.13228	15.4
187.11159	8.8
189.12747	4.7
195.11684	4.6
197.13289	1.5
199.11209	7.3
199.14839	2.2
209.13268	2.7
211.14911	1.3
213.12733	20.6
213.16296	1.7
225.16414	2.0
227.14230	5.5
227.17879	10.8
228.09090	1.2
241.19485	26.7
251.17937	6.1
269.19009	100.0
269.22351	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	269.1895
Annotation	3-Methoxyestra-1,3,5(10),16-tetraene
Peak:m/z	Relative Intensity
50.88119	1.5
55.05497	4.9
57.03413	3.5
57.07058	7.8
67.05499	18.0
69.07054	24.6
71.04971	2.7
71.08597	4.6
79.05474	13.3
81.07052	29.7
82.37144	1.9
83.04952	2.7
83.08593	8.3
85.06549	2.9
85.10151	3.5
91.05466	3.7
93.07023	21.7
95.08594	22.0
97.06521	10.8
97.10100	3.0
99.08083	7.0
105.07011	12.2
107.08572	20.8
109.10170	10.7
111.08059	18.1
113.05978	2.9
117.06962	4.2
119.08540	8.1
121.06477	3.9
121.10119	16.6
123.08055	2.0
123.11687	4.6
129.06992	2.4
131.08553	10.2
133.10100	10.7
135.08061	3.6
135.11682	13.2
137.09595	3.2
137.13203	2.5
139.07553	2.5
143.08540	8.1
145.10100	13.1
147.11708	3.5
149.13240	10.4
151.11142	2.6
153.12627	2.2
155.08537	2.0
157.10117	10.1
159.11667	11.2
161.09573	8.0
163.14790	1.9
168.77321	2.0
169.10028	2.7
171.11655	10.8
172.24690	1.8
173.09566	2.4
173.13272	8.1
174.68005	1.8
175.11217	2.1
185.13309	7.1
187.11166	32.5
197.13251	3.7
199.10966	3.1
199.14845	3.3
209.13316	2.7
213.12730	2.8
214.13489	3.1
241.15712	2.6
241.19566	3.3
251.20053	8.2
251.23572	2.0
254.10475	2.9
269.18948	100.0
269.22522	21.9
269.24960	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	269.226
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05509	4.1
57.07076	3.7
66.68724	1.7
67.05497	12.6
69.07065	12.6
71.08616	3.3
73.45698	1.6
77.00628	1.6
79.05457	4.0
81.07059	23.2
83.08603	11.2
85.06538	2.0
91.02141	3.5
91.05503	1.9
92.16808	2.2
93.07027	19.4
95.08599	30.3
97.10146	8.8
103.01356	1.7
104.99261	100.0
105.07043	15.0
107.08590	18.9
109.10153	25.7
117.06979	3.8
119.08582	13.8
121.10165	14.9
123.11661	17.1
131.08559	14.1
133.10144	10.3
135.11671	9.1
137.13277	3.0
143.08554	7.3
145.10100	15.4
147.11646	4.1
149.13281	9.4
157.10089	9.9
159.11632	14.8
161.13242	9.4
163.14792	4.3
171.11639	9.0
173.13239	10.4
175.14812	9.3
185.13252	9.6
186.99503	19.5
187.14806	8.8
199.14803	10.7
213.16399	11.8
219.21045	3.6
225.16545	2.5
227.17967	7.4
228.23216	3.1
241.19450	8.5
251.20067	3.0
262.56485	2.2
269.19260	96.1
269.22604	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	269.2261
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
54.84775	0.7
55.05516	5.1
57.03428	4.5
57.07064	3.3
67.05505	16.7
67.27545	0.6
69.07072	12.3
71.08621	0.7
71.65520	0.7
79.05492	7.9
81.07055	26.0
83.04954	1.6
83.08610	7.6
85.06528	0.7
91.05467	6.0
93.07034	19.6
95.04890	1.0
95.08593	18.1
97.06504	3.2
97.10156	3.6
99.08072	1.1
105.06364	1.0
105.07021	9.0
107.08594	21.4
109.10149	16.4
117.06974	4.0
119.08569	13.5
120.13758	0.6
121.10127	19.8
123.11697	9.2
123.27700	0.7
131.08574	9.6
133.10118	14.8
135.11697	8.9
137.13240	1.4
143.08534	5.4
145.10110	15.8
147.11681	14.7
149.13222	9.3
157.10114	10.7
159.11661	15.8
161.13234	12.8
163.14792	1.6
171.11664	10.6
173.13214	10.2
175.14755	7.8
177.12735	1.6
181.17606	0.7
185.13261	9.1
187.14853	7.0
189.16304	1.1
195.13681	1.3
199.14841	12.2
201.16495	2.1
211.14816	1.5
213.16376	15.1
215.17780	0.8
216.61139	1.6
226.17082	2.6
227.17920	7.6
241.19490	1.2
251.20108	1.1
269.17801	11.8
269.22592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2259
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05505	3.4
57.03430	1.2
57.07062	4.9
60.50407	0.6
67.05497	6.8
69.07059	7.9
71.04986	1.1
71.08624	1.5
73.24445	0.7
77.00624	1.1
79.05487	4.1
81.07053	15.7
83.08613	6.8
85.10179	0.8
91.02158	0.8
91.05454	3.0
91.84716	0.7
93.07024	10.1
95.04933	0.8
95.08591	14.9
97.10160	3.6
105.07014	6.5
107.08575	14.1
109.10145	15.9
111.11742	1.0
117.07034	1.3
119.08560	12.4
119.47910	0.7
121.10126	9.8
123.11676	9.9
129.06984	1.3
131.08539	8.2
133.10129	11.6
135.11687	7.7
137.13278	3.5
143.08565	7.7
145.10110	10.0
147.11687	9.0
149.13269	4.2
155.10667	3.9
157.10107	11.7
159.11646	10.5
161.13202	7.8
163.14836	1.8
171.11682	13.0
173.13223	6.9
175.14795	6.9
183.11668	1.1
184.12436	0.9
185.13226	14.1
187.14798	8.0
197.13243	4.6
199.14812	15.8
199.78899	0.8
200.15552	1.5
201.16391	13.9
211.14775	10.2
213.16336	12.9
214.17146	10.1
215.17941	1.7
219.21057	4.1
225.16397	4.3
226.14806	2.1
226.17107	24.9
226.19212	1.5
227.17905	17.5
239.17911	6.6
241.19528	4.6
251.19995	1.7
254.20178	10.3
269.19336	31.7
269.22623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2258
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
52.49476	0.5
55.05494	2.9
57.07069	5.2
61.73642	0.5
67.05487	7.0
69.07040	3.7
71.08598	1.1
74.06044	1.1
79.05477	5.2
81.07045	20.2
83.08585	2.7
85.06549	0.7
88.07590	4.4
91.00951	0.7
91.05447	5.1
93.07026	13.5
95.08587	36.4
97.10134	2.8
101.52222	0.7
102.09131	2.4
105.07005	16.0
107.08559	12.4
109.10135	14.1
114.14377	0.6
116.10655	0.7
117.06976	4.3
118.86303	0.6
119.08546	12.5
121.10088	10.4
123.11676	5.6
129.06956	1.2
131.08546	11.8
133.10091	9.9
135.11656	11.9
143.08507	1.5
145.10107	14.2
147.11630	8.2
148.25179	0.7
149.13206	5.0
157.10074	5.1
159.11644	11.5
161.13196	6.7
163.14824	1.0
171.11598	4.1
173.13203	12.5
175.14755	5.6
178.77222	0.6
185.13171	5.1
187.14743	10.7
189.16292	3.4
199.14725	7.0
201.16251	1.4
213.16327	15.7
226.14662	1.2
227.17874	5.5
228.23169	59.2
241.19431	4.0
256.18631	0.7
269.19403	7.1
269.22552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2259
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
51.00092	1.8
52.86825	2.0
55.05503	9.8
57.07065	5.3
65.76805	2.2
67.05490	13.5
69.03422	2.1
69.07066	37.3
71.08617	10.7
72.13841	2.1
78.00749	2.1
79.05473	11.1
81.07059	31.2
83.08614	16.9
85.06528	3.1
91.05437	4.4
91.90780	2.2
93.07012	23.0
95.08591	49.2
97.06526	3.0
97.10146	10.1
105.07027	14.5
105.51681	2.3
107.08585	20.2
109.10146	55.1
111.08089	2.8
111.11688	9.5
113.12726	2.5
118.11205	2.4
119.08546	6.0
121.10104	30.4
123.11671	25.6
127.11220	3.3
131.08577	5.4
133.10121	17.4
135.11673	20.9
137.13239	10.1
143.08603	3.7
145.10121	13.0
147.11691	10.3
149.13263	11.9
157.10080	10.0
159.11649	11.9
161.13191	5.4
171.11655	9.8
173.13260	5.6
175.14778	12.5
177.16301	2.8
185.13251	4.1
187.14789	3.3
191.17854	11.9
199.14711	8.8
213.16353	17.7
223.20563	2.9
227.17944	3.2
251.20050	9.4
269.19189	22.6
269.22580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2261
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.00620	2.5
55.05519	23.2
57.07068	20.5
62.45720	2.5
67.05497	7.7
69.07060	53.3
71.04924	3.1
71.08630	10.8
79.05487	4.7
81.07071	26.9
83.08601	40.1
88.62634	3.4
92.16869	3.0
93.07027	13.1
95.08603	24.1
95.27802	2.9
97.06497	3.7
97.10159	34.5
107.08588	15.5
109.10143	17.7
111.08100	3.9
111.11749	5.9
117.06992	14.5
121.10118	19.8
123.11677	7.4
129.06995	14.2
131.08530	18.0
133.10114	14.3
135.11702	11.8
137.13208	4.4
143.08556	16.3
145.10088	15.4
149.13272	3.7
157.10118	15.4
159.11655	36.2
161.13278	4.0
171.11626	31.9
173.13214	75.8
185.13234	100.0
187.14798	15.5
199.14795	36.6
213.16402	22.9
219.21068	12.1
226.14682	5.3
227.17934	7.3
228.23143	5.1
237.22052	4.2
269.19193	19.2
269.22595	53.2
269.24771	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	269.2262
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
50.73837	2.9
53.00296	2.8
53.89285	3.2
55.05515	43.3
57.07077	54.2
60.50189	2.5
64.36688	2.9
67.05500	34.0
69.07068	100.0
71.08263	2.6
71.08628	26.3
74.28229	2.9
79.05491	17.0
81.07063	61.9
83.08618	97.4
85.06544	4.2
85.10177	12.1
93.07045	49.2
95.08612	47.0
97.06517	29.7
97.10160	61.6
107.08594	39.3
109.10150	42.4
110.07185	6.4
111.08059	14.4
111.11702	16.1
112.08784	4.3
117.07029	6.3
119.08592	4.5
121.10142	52.5
123.11705	21.2
125.09580	15.2
127.12160	3.7
129.07036	7.8
131.08563	16.5
135.11703	58.9
137.13274	6.6
139.11200	6.5
143.08551	18.4
145.10135	14.5
147.11684	53.4
149.13261	32.3
153.12802	3.7
157.10193	5.3
159.11708	21.9
161.13289	6.5
163.14853	18.5
171.11682	20.4
173.13243	68.9
185.13234	63.9
187.14772	8.1
199.14798	16.4
209.13277	5.4
213.16396	31.5
219.21066	71.8
226.14680	4.6
227.17924	5.8
228.23239	5.9
230.19180	3.9
237.22115	43.9
251.20088	8.2
269.19199	36.0
269.22620	87.4
269.24838	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	270.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80621	0.5
55.05500	0.6
58.06594	0.8
61.02930	0.7
63.38931	0.6
67.06553	0.6
68.05025	1.2
69.03425	6.7
70.06548	0.6
71.04973	0.8
73.06550	14.5
79.05460	0.6
79.39806	0.7
81.03422	0.7
85.02901	14.6
86.06064	5.1
87.04473	6.5
90.81290	0.6
91.03945	1.0
91.05462	1.2
97.02878	3.1
99.04433	0.9
103.05512	2.0
104.07098	20.2
105.07018	7.7
107.04951	4.3
109.02893	2.4
112.03944	0.7
118.02926	0.6
120.08102	22.9
127.03889	2.9
129.06953	1.1
130.06483	0.8
131.04918	4.3
132.08078	23.7
133.52225	0.7
134.09644	22.3
136.06154	1.2
144.08015	0.7
145.04936	7.1
146.09676	7.2
153.09897	0.8
156.07635	1.2
163.05934	1.0
166.08635	2.9
170.09634	3.3
174.05481	1.1
178.08649	1.0
188.10721	3.1
193.92355	0.6
206.11745	23.7
224.12782	100.0
252.12292	1.5
257.67770	0.7
270.13345	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	270.2787
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
55.05049	0.3
55.17248	0.3
56.04386	0.3
57.07079	3.9
58.02945	1.8
60.20802	0.2
61.30518	0.3
65.94565	0.3
69.07037	0.6
71.08614	2.0
81.07036	0.5
84.12248	0.3
85.10167	0.4
88.07616	2.9
95.08555	0.3
100.11243	0.7
102.09164	6.7
105.87128	0.3
116.10696	3.5
130.12227	0.7
140.99617	0.3
142.15877	0.7
162.78940	0.4
184.20599	0.7
270.27866	100.0
293.92123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0595
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05503	0.5
56.60062	0.4
57.07056	0.7
63.08763	0.3
67.05482	1.9
67.23862	0.4
69.07046	2.0
70.06569	0.7
70.27296	0.3
71.04985	0.9
71.08603	0.5
79.05465	0.6
81.03399	0.5
81.07043	3.8
81.26790	0.3
83.08589	0.8
85.06525	0.4
86.09624	0.3
91.05434	1.5
93.07007	0.6
95.04946	0.4
95.08585	3.6
97.06495	0.6
97.10139	0.6
99.04454	1.4
105.07039	0.5
107.04915	0.4
107.08553	1.5
109.02860	2.2
109.06513	0.6
109.10130	1.7
111.08029	0.4
113.13688	0.4
116.07065	2.5
119.04886	0.5
119.08546	0.7
121.10091	0.7
123.08015	0.5
123.11693	0.6
125.09576	0.5
127.03862	0.8
129.06987	0.7
131.08501	0.6
133.10138	0.8
137.05966	0.6
145.10049	0.6
147.07962	0.5
147.11623	0.8
149.09590	0.6
153.01784	2.0
153.06995	1.5
155.08502	0.9
161.13298	0.6
165.06941	3.5
171.11664	0.7
181.06413	0.8
183.08093	3.0
183.11884	0.4
193.12228	0.6
211.07504	2.5
212.08417	0.7
217.12230	0.4
235.13255	1.5
235.16940	0.5
235.20561	0.4
239.07036	0.6
271.05942	100.0
271.09296	4.8
271.20438	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	271.0597
Annotation	Baicalein
Peak:m/z	Relative Intensity
56.29858	0.2
57.78426	0.2
60.02057	0.2
60.42095	0.2
66.76078	0.2
67.05507	0.5
69.07049	0.3
71.04981	0.3
81.07049	1.6
91.05444	0.9
92.17376	0.2
93.07018	0.5
95.04951	0.3
95.08575	1.0
99.43671	0.2
105.06970	0.8
109.02861	0.3
109.10124	0.9
113.09724	0.2
119.04891	1.2
119.08513	0.4
121.06409	0.2
121.10098	1.0
131.08595	0.2
133.10095	0.3
138.75856	0.2
141.06998	0.3
147.11681	0.4
153.01794	1.5
153.06976	1.0
155.08507	1.1
159.11613	0.3
161.13139	0.2
165.06955	2.7
173.13269	0.4
181.06422	1.0
182.07196	0.3
183.08061	2.1
183.09410	0.2
183.11624	0.3
193.06380	0.3
211.07452	2.5
221.05980	0.6
225.09378	0.2
228.07805	0.3
239.06956	0.4
243.20959	0.3
271.05969	100.0
271.09210	4.3
271.16934	1.1
271.20541	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	271.2052
Annotation	Clathrin B
Peak:m/z	Relative Intensity
50.11187	2.1
57.07061	6.6
62.48896	2.5
63.04324	2.5
67.05489	11.4
69.07056	6.9
71.08610	4.0
71.21389	2.9
79.05476	6.7
81.07048	30.1
83.08607	6.6
91.05473	4.9
93.07028	37.6
95.08589	38.1
97.10137	6.0
104.61821	3.3
105.07006	25.5
107.08569	21.9
109.10143	35.0
111.11717	2.9
119.08566	36.3
121.10126	70.3
123.11704	19.0
131.08549	6.8
133.10130	12.7
135.11671	20.6
143.08594	3.8
145.10078	11.3
147.11671	27.9
149.09613	13.5
149.13228	13.4
157.10045	3.3
159.11710	13.3
161.13210	13.7
163.11215	6.2
163.14751	4.1
168.01678	2.9
169.10091	15.1
171.11612	5.2
173.13287	4.0
175.11137	6.8
175.14850	6.4
177.12697	5.1
177.16220	3.2
183.11693	5.6
185.13182	5.2
187.14824	9.8
195.07436	3.3
197.13245	10.6
201.16374	4.8
215.17943	6.8
225.16345	4.6
229.19545	3.5
243.17299	21.0
243.21001	3.4
253.19537	31.4
271.20551	100.0
271.24155	55.9
282.45261	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	271.2049
Annotation	17beta-Methylestra-1,3,5(10)-trien-3-ol
Peak:m/z	Relative Intensity
52.41629	0.6
53.99929	0.7
64.93955	0.6
67.05478	4.7
68.98238	0.7
69.07023	1.6
69.56323	0.8
71.18243	0.7
71.36960	0.8
79.05466	0.9
81.07032	16.1
89.02730	0.8
92.16807	1.1
93.07062	0.8
95.08582	3.4
97.06504	10.2
105.06996	1.6
105.09777	0.8
107.08559	1.6
109.10132	4.4
111.08065	1.2
116.89479	0.7
119.08546	1.6
121.06504	5.7
121.10091	1.5
123.08038	3.2
123.11691	8.8
126.02483	0.7
147.08029	1.2
147.11525	1.0
149.09575	10.0
161.09601	4.3
161.13226	1.0
162.10387	1.6
163.11125	10.8
173.09560	1.4
173.13277	1.9
175.11099	3.2
187.11194	1.4
187.14766	1.1
189.12651	1.4
199.14873	1.4
215.14133	1.6
230.42284	0.9
271.20480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2053
Annotation	Salvirecognine
Peak:m/z	Relative Intensity
50.76954	0.6
53.55109	0.6
55.05480	1.2
57.07063	3.3
57.79701	0.6
67.05495	7.0
68.00394	0.9
69.07050	3.7
69.22119	0.6
69.98408	0.7
79.05480	1.0
81.07052	24.4
83.08589	3.3
91.05455	1.2
93.07023	3.1
95.08603	10.9
97.06507	9.5
97.10151	1.5
105.06995	4.4
105.95317	0.7
107.08573	3.9
109.06488	0.8
109.10148	9.3
111.08053	3.7
119.08550	3.4
121.06472	1.4
121.10091	1.4
123.08039	1.5
123.11686	16.3
131.08543	0.9
133.10101	2.9
135.11664	1.2
143.08505	1.0
145.10016	2.6
147.08073	0.8
147.11716	1.6
149.09599	19.4
149.13216	1.1
157.10068	1.2
159.11673	3.0
161.09601	2.9
161.13249	1.4
162.10330	0.8
163.11147	13.1
165.16660	0.7
169.10175	1.0
171.11658	0.8
173.13219	0.8
175.11150	1.8
175.14783	1.2
187.11137	1.1
187.14758	4.4
189.12740	2.9
197.13257	2.7
199.14719	4.3
201.12753	1.0
211.14864	1.4
215.14320	1.5
215.17735	0.8
247.72975	0.8
253.19487	1.5
271.20532	100.0
271.23813	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	271.2054
Annotation	Clathrin B
Peak:m/z	Relative Intensity
52.99020	3.4
54.49712	2.9
55.05503	4.7
56.36383	4.3
57.07067	4.2
62.61035	4.1
63.75398	3.2
65.62602	3.4
67.05495	7.8
69.07067	7.5
79.05491	6.7
81.07038	31.2
91.05494	4.8
93.07047	8.2
95.08589	27.6
97.10177	6.6
105.07026	18.8
107.08607	30.2
109.10150	27.3
119.08571	20.1
121.10082	8.6
123.11707	7.5
131.08525	8.0
133.10114	16.6
135.11690	4.8
137.13228	6.2
145.10104	21.5
147.08051	43.1
147.11618	4.3
157.10089	7.2
161.13228	8.5
171.11545	5.3
183.11786	5.1
197.13217	4.3
201.12717	5.5
211.07469	6.2
211.14864	4.7
215.14282	52.3
243.21159	5.5
253.19420	16.6
271.09549	4.9
271.17178	15.8
271.20560	100.0
271.23755	8.7
276.60870	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	271.2056
Annotation	Salvirecognine
Peak:m/z	Relative Intensity
50.63312	0.3
55.05505	0.7
55.85036	0.4
56.88987	0.4
57.07060	0.6
59.67491	0.4
64.83250	0.4
67.05500	6.2
69.07057	0.8
79.05476	0.7
81.06615	0.8
81.07059	18.3
83.08611	0.7
93.07047	3.1
94.37926	0.4
95.08614	4.5
96.18773	0.5
97.06524	6.9
105.06994	2.6
107.08571	3.0
109.06514	0.6
109.10161	5.7
111.08060	2.4
119.08575	3.1
121.06499	4.2
121.10128	2.3
123.08067	3.1
123.10810	0.4
123.11694	14.5
131.08565	1.1
133.10117	2.0
135.08005	0.9
135.11664	1.8
143.08585	1.8
145.10100	1.8
147.08022	2.1
147.11708	3.2
149.09616	16.8
155.08461	0.5
157.10091	0.8
158.26523	0.5
159.11652	2.5
161.09579	2.4
161.13249	2.3
162.10394	1.0
163.11168	12.8
168.83290	0.4
169.10187	0.9
171.11662	2.0
173.09602	0.5
173.13188	0.5
175.11165	2.7
175.14784	0.8
177.12720	1.8
183.11646	0.7
187.11169	1.7
187.14742	1.9
189.12679	1.7
197.13216	1.8
199.14816	3.1
201.12831	0.6
203.14156	0.4
207.60454	0.4
211.14760	0.7
215.14285	2.2
216.14668	0.5
229.15773	0.5
253.19452	2.7
271.20538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2053
Annotation	Clathrin B
Peak:m/z	Relative Intensity
55.05508	1.7
57.07070	1.6
67.05499	6.5
68.35307	0.9
69.07076	7.0
78.92087	1.1
79.05465	1.4
80.15014	0.9
81.07056	14.7
83.08603	2.3
83.89706	0.8
89.72089	0.8
93.07029	8.1
95.08586	15.7
97.10165	2.0
105.07025	5.3
107.08564	10.9
109.09473	1.3
109.10156	22.1
117.07030	0.9
119.08559	6.6
121.10128	5.2
123.11669	9.0
129.07013	1.4
131.08504	1.6
133.10118	5.0
135.11655	5.9
141.06985	1.7
145.10126	1.6
147.06860	1.4
147.08028	42.1
147.11681	4.8
149.13263	1.8
155.08534	19.7
159.11690	5.7
161.13260	6.1
163.14876	1.4
169.10126	4.2
171.11647	5.6
173.13239	2.3
175.14798	2.1
183.11693	4.8
187.14815	1.9
189.12721	16.4
197.13341	9.3
201.12715	3.4
201.16388	2.4
202.21796	1.1
211.14821	16.0
215.17952	2.3
217.19301	1.1
229.15768	10.5
229.19380	1.2
243.21219	1.1
253.19446	6.6
271.20557	100.0
271.24094	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	271.2051
Annotation	Salvirecognine
Peak:m/z	Relative Intensity
55.05501	2.5
57.07051	2.0
60.04478	1.5
64.20336	1.2
67.05486	8.1
69.07054	7.7
70.07394	1.5
71.60470	1.2
72.08134	1.4
81.04513	1.1
81.07047	13.2
82.01770	1.1
83.08604	7.0
84.95557	1.1
85.07633	1.3
89.24738	1.1
90.16451	1.1
93.07041	2.5
95.08586	10.6
97.07636	2.0
97.10180	5.2
98.06048	1.4
99.08021	1.1
105.07014	2.9
107.08572	6.4
109.07613	1.4
109.10139	24.5
111.03272	1.2
111.09145	2.6
119.08537	4.5
121.10136	2.1
123.11678	5.6
125.95250	1.1
131.08540	1.8
133.10115	2.5
135.11586	1.8
141.04228	1.3
143.08606	1.5
147.08015	60.4
147.11633	4.8
155.08469	15.0
159.11649	1.9
161.13254	2.5
169.10155	1.4
171.11662	2.0
173.13292	1.9
189.11288	1.6
189.12694	9.2
197.13202	7.5
201.16449	1.5
211.14784	5.5
229.15779	18.5
253.19550	4.7
253.23471	9.0
271.16730	4.8
271.20541	100.0
271.24454	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	271.2053
Annotation	Clathrin B
Peak:m/z	Relative Intensity
52.19858	2.8
55.05519	5.2
56.64373	3.4
57.07065	7.2
67.05495	14.5
69.07054	13.4
71.05034	3.7
71.08608	3.9
79.05494	4.1
81.07051	48.8
81.41863	2.9
83.08588	7.2
84.94967	3.2
93.07022	23.8
95.08601	48.8
97.06506	7.4
97.10154	6.6
105.07025	20.6
107.08601	26.1
109.10146	36.3
111.11724	3.7
114.80099	3.4
119.08560	14.7
121.10139	8.2
123.08053	7.5
123.11681	22.9
131.08554	4.8
133.10164	27.6
135.08051	12.6
135.11642	8.2
137.13203	4.3
143.08553	6.2
145.10106	18.0
147.08006	5.9
147.11671	18.0
149.13261	6.6
157.10094	18.8
159.11688	15.0
161.13232	26.3
163.11125	4.3
165.06943	6.3
169.10036	5.9
171.11646	7.7
173.13185	13.6
175.11273	5.0
175.14815	18.7
183.11722	12.8
185.13203	5.8
187.11198	5.2
187.14801	6.5
189.12630	3.6
197.13292	7.6
199.14703	4.8
211.07562	14.4
211.14856	6.5
215.14240	6.0
225.16405	4.7
229.19519	4.4
243.20993	22.1
253.19463	20.0
271.09518	13.3
271.20554	100.0
271.23019	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	271.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83963	2.6
55.05513	52.4
57.03453	3.7
57.07072	24.9
63.43808	2.9
67.05494	43.5
69.07060	100.0
71.04980	6.3
71.08613	6.5
79.05485	14.6
79.17320	2.9
81.07057	85.4
81.78173	3.3
83.04980	4.8
83.08611	85.1
85.06537	13.3
91.05468	15.8
93.07015	26.1
95.08602	96.0
97.06501	20.7
97.10153	78.6
99.08086	3.9
105.07018	21.5
107.08585	24.4
109.10149	46.3
111.08092	8.4
111.11703	24.2
111.38103	3.1
119.08556	25.3
121.10123	48.8
123.08018	4.9
123.11694	25.4
125.09593	8.3
125.13219	3.8
127.07584	4.0
131.08546	5.0
133.10149	33.4
135.11697	36.3
137.05946	4.7
137.09624	6.8
137.13234	14.2
141.88947	3.8
145.10118	5.4
147.11722	25.2
149.13261	7.6
151.11246	4.3
151.14804	4.0
153.06935	4.5
153.12816	7.0
155.08568	6.5
159.11713	5.0
161.13284	28.6
163.11166	5.3
165.06987	23.2
165.12712	8.2
165.16347	3.5
169.10025	4.5
171.11583	4.6
175.14719	6.6
181.24223	3.1
183.08034	17.0
185.13080	3.6
187.14824	4.5
193.06496	4.2
211.07544	20.9
211.11081	4.0
211.15501	3.4
213.16365	4.3
217.19487	41.7
225.16409	5.6
235.20589	37.5
243.21126	4.7
253.19353	6.5
253.21666	33.6
271.09586	41.4
271.16934	15.8
271.20541	36.4
271.22946	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	271.2415
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.70273	0.8
54.72631	0.8
55.05507	10.1
55.46636	0.9
57.07060	2.1
57.96684	0.8
62.99098	1.0
67.05492	8.5
69.06760	1.1
69.07056	20.2
71.08619	1.7
79.05473	7.2
80.05400	0.9
81.07045	28.1
82.57458	1.0
83.08608	10.6
90.78262	1.0
91.05458	7.5
93.07019	17.1
95.08595	29.8
97.10164	7.8
99.88157	1.0
105.07010	25.6
107.08566	21.8
107.26203	0.9
108.65871	1.0
109.10134	25.0
111.11674	1.3
117.06981	3.7
119.08551	22.2
121.10111	17.2
123.11687	13.3
131.08533	12.4
133.10112	22.4
135.11664	17.3
137.13223	5.0
145.10114	14.6
147.11646	12.8
149.13231	8.2
159.11664	11.2
161.13234	18.4
163.14754	6.3
173.13197	13.6
175.14783	15.3
177.16295	5.0
187.14784	25.2
189.16324	10.2
191.18056	1.2
201.16360	16.9
203.17905	1.5
215.17871	16.4
229.19548	6.0
243.21049	1.4
271.24139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2416
Annotation	Axerophthene
Peak:m/z	Relative Intensity
54.54821	1.1
55.05503	5.5
55.24636	1.1
57.07068	23.8
62.56335	1.2
62.86441	1.3
64.81654	1.1
67.05483	6.9
67.62362	1.2
69.07061	13.8
71.04995	1.7
71.08630	27.1
79.05479	1.8
81.07054	19.6
81.97580	1.3
83.08607	8.3
91.05453	2.0
93.07040	8.1
95.08595	27.5
97.10150	3.2
101.56483	1.5
105.07024	9.6
107.08588	19.0
109.10145	35.8
111.11680	1.8
119.08544	13.0
121.10130	22.3
123.11687	9.2
124.88663	1.3
124.95277	1.3
131.08543	2.4
133.10124	12.5
135.11696	9.1
137.13278	1.9
145.10143	10.7
147.07996	1.8
147.11684	9.5
149.13232	29.6
156.89078	1.4
159.11658	8.2
159.14844	2.5
161.13188	15.3
163.14781	81.8
173.13286	5.5
175.14777	38.5
177.16350	1.5
187.14780	5.4
189.16402	9.1
200.45567	1.5
201.16356	32.2
215.18004	6.6
217.19405	2.7
229.19469	2.3
249.16852	1.4
271.14960	1.6
271.20963	4.0
271.24216	100.0
271.27155	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	272.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27163	0.3
51.30379	0.3
55.05477	0.4
57.07065	11.8
58.06350	0.5
58.06589	9.3
59.83535	0.4
62.06078	53.1
67.05465	0.9
67.81093	0.3
69.07032	1.7
71.08227	0.5
71.08610	8.2
72.08115	2.4
73.39960	0.3
76.07629	7.2
81.07031	2.1
83.08556	0.5
85.10162	4.3
93.06986	0.4
95.08586	3.4
97.10107	0.4
109.10139	0.9
121.10085	0.3
133.06398	0.7
151.75266	0.5
168.70323	0.4
168.78401	0.4
183.16595	0.4
213.68686	0.5
254.24693	3.7
254.28319	4.0
255.23102	5.0
272.25836	12.0
272.29379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	8.5
56.49920	1.3
57.03429	30.6
57.07046	5.5
67.05490	18.8
69.07058	64.0
71.04949	7.6
71.08598	1.4
71.97092	1.6
79.05472	13.5
81.07039	27.6
83.04942	9.3
83.08606	17.1
84.95239	1.5
85.06503	7.2
88.11772	1.9
91.05455	6.0
93.07031	30.8
95.08594	28.7
97.06516	35.7
99.04386	1.9
99.08040	2.4
101.05949	2.5
105.06998	2.0
107.04897	2.1
107.07909	1.5
107.08582	34.4
109.10148	14.3
111.08073	11.9
111.11703	12.1
115.07572	1.8
117.06916	1.6
119.08533	6.6
121.02816	2.7
121.06445	2.9
121.10112	11.1
133.10065	2.3
135.08031	1.7
135.11665	100.0
143.08498	2.6
144.95602	1.4
145.10051	11.8
145.33214	1.4
147.11578	1.6
149.05872	3.4
151.03816	1.7
151.07404	1.9
153.06917	2.0
153.11604	2.7
153.12718	49.1
157.10095	3.7
159.11629	2.3
163.11078	7.6
173.13182	2.5
181.06369	7.9
181.12134	3.1
198.06673	1.7
199.13199	6.1
209.05823	1.7
213.08989	6.5
213.12581	1.8
217.12218	2.5
217.14301	61.7
240.08829	2.4
241.08548	3.4
255.11084	9.6
255.17493	2.5
256.09625	2.0
273.10837	6.6
273.16803	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48966	0.2
51.61188	0.2
55.05493	0.3
56.79831	0.2
57.03402	0.2
63.19849	0.2
67.05479	0.6
69.07044	0.6
71.06100	2.1
73.04014	1.2
79.05463	0.7
80.04990	1.7
81.03403	2.8
81.04525	2.8
81.07054	2.0
81.07444	0.3
83.04961	0.4
83.08610	2.1
84.64589	0.3
91.05429	1.0
93.07008	1.7
95.04935	1.5
95.08562	0.5
97.06532	0.5
97.10133	1.3
99.05570	2.3
99.06158	0.3
105.06989	1.2
107.04948	0.3
107.06068	0.5
107.08576	0.6
109.06483	0.4
109.10070	0.3
111.08057	1.1
119.08548	1.6
119.28970	0.3
121.10119	1.9
123.11678	0.6
125.09595	0.4
126.09097	1.1
131.08528	0.6
133.06482	0.3
133.10088	1.5
138.12694	0.3
147.11609	2.4
149.09561	1.2
149.16852	0.3
150.12726	3.1
157.10081	1.8
164.14304	1.8
166.12233	1.4
166.66573	0.3
168.13795	0.6
174.12755	0.4
175.11115	1.8
176.10625	0.4
177.63864	0.3
182.15369	5.7
184.13277	4.2
191.15445	2.2
191.37413	0.3
192.13791	3.5
193.12091	5.2
194.11707	3.6
198.45622	0.3
200.16328	1.9
201.13896	0.3
210.14838	9.4
211.13249	4.2
219.14877	14.4
220.13246	0.6
226.14290	0.6
227.17528	1.4
228.15909	1.4
229.15430	1.0
237.15942	8.4
238.14363	0.3
255.16974	16.3
273.18015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1844
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
57.91662	3.7
62.04621	4.0
66.24251	3.8
66.69855	3.8
67.48135	3.4
69.07052	5.7
79.05485	5.5
81.07055	5.8
83.04974	25.4
86.47019	3.7
87.13062	3.9
91.05444	7.2
93.07043	18.8
95.04990	4.5
95.08615	16.9
105.07034	23.2
107.08588	26.4
109.06515	28.0
109.10183	17.1
111.08073	15.4
117.97864	4.3
119.08574	18.1
121.06496	4.8
121.10111	7.2
123.08162	5.0
130.06581	4.0
131.08537	9.5
133.10127	17.2
135.08040	100.0
136.08798	4.5
137.09601	31.7
143.08566	7.3
145.10107	15.7
147.07985	5.7
147.11737	9.6
149.13248	5.4
157.10152	21.4
159.08029	8.4
163.11218	5.1
171.11696	19.9
173.13190	10.2
185.13162	10.0
189.12769	17.9
199.11031	4.5
204.87839	4.3
213.16397	5.8
215.14337	8.9
231.17424	19.8
255.17274	10.3
273.18497	89.7
273.22025	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	273.221
Annotation	androstenone
Peak:m/z	Relative Intensity
50.31902	1.4
55.05509	3.0
58.89918	1.3
60.67494	1.7
61.57591	1.5
67.05499	2.6
69.07063	2.9
70.79498	1.5
79.05495	2.4
81.07060	16.4
83.08648	2.1
91.05368	1.8
93.07027	9.4
95.05393	1.6
95.08593	13.5
105.07006	7.8
107.08578	10.0
109.10159	15.3
111.08059	2.3
111.34882	1.7
114.76779	1.7
119.08565	8.4
121.10114	16.7
123.08088	3.0
123.11701	8.6
131.08537	2.8
133.10135	25.2
135.11684	6.3
145.10153	16.4
147.06525	1.7
147.11722	17.0
149.09648	3.5
149.13258	2.6
155.47482	1.7
157.10098	4.2
159.11671	13.6
161.13234	12.0
163.11203	3.3
166.04251	1.8
171.11632	3.3
173.13234	3.8
175.13211	2.6
175.14856	3.4
185.13274	7.4
199.14832	16.6
203.14331	3.7
213.16379	6.8
215.17892	3.8
227.17899	3.6
255.21040	100.0
273.22101	99.4
281.03137	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	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.58282	0.6
55.05491	4.4
57.07059	3.7
61.35952	0.7
61.72895	0.5
63.26985	0.7
67.05476	3.7
68.19566	0.6
69.06712	1.0
69.07063	22.1
71.08611	0.7
79.05470	1.4
81.07050	17.8
83.08616	5.6
90.95749	0.8
93.07024	10.2
95.08593	21.7
97.10141	4.0
105.07021	3.3
107.08582	20.4
109.10142	20.7
111.11696	4.1
117.08366	0.7
119.08562	4.9
121.10120	18.8
123.11697	10.4
125.13254	0.8
133.10103	3.2
135.11664	11.6
137.13251	3.9
147.11646	5.4
149.13229	31.5
161.13263	6.0
163.14789	100.0
175.14832	7.0
177.16385	9.4
189.16315	4.7
191.17943	16.2
203.17871	5.1
217.19466	7.4
231.21034	0.9
253.67036	0.7
255.17159	0.7
273.18796	0.9
273.22269	2.9
273.25702	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	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05510	5.0
55.71909	1.0
56.80562	1.0
57.07067	2.5
67.05491	6.9
67.56929	1.1
69.06716	1.6
69.07062	28.6
73.86759	1.2
79.05474	2.1
79.66183	1.3
81.07056	32.5
83.08655	10.4
93.07032	14.7
95.08591	35.3
97.10147	7.6
97.25673	1.3
105.07042	3.1
107.08588	27.7
109.10138	27.5
111.11737	5.9
112.03788	1.2
117.86496	1.3
119.08572	6.9
121.10135	21.2
123.11694	8.7
132.72527	1.4
133.10147	5.8
135.11707	16.3
137.13286	2.9
139.51004	1.3
147.11694	6.9
149.13245	40.0
151.14832	1.5
161.13246	6.4
163.14799	100.0
175.14841	6.1
177.16353	9.7
186.76744	1.6
189.16345	6.4
191.17914	20.4
203.17943	10.6
217.19499	8.0
273.14270	2.9
273.18588	1.8
273.22708	2.4
273.25708	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	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05503	5.3
56.05030	6.0
57.07076	7.0
59.06119	17.0
67.05492	8.5
68.05019	4.6
69.07061	29.7
70.06577	5.4
71.08614	3.5
79.05421	3.5
81.07044	47.1
83.06094	5.1
83.08614	16.8
85.07660	16.9
93.07022	9.5
95.06026	5.1
95.08596	55.8
97.10148	9.4
105.07002	7.9
107.08599	36.1
109.07624	6.3
109.10140	56.6
110.07138	18.1
111.11659	5.5
112.08704	9.0
119.08554	9.5
121.10137	38.7
122.07115	7.1
123.06670	4.5
123.09107	4.3
123.11687	43.8
124.08713	4.9
133.10120	6.2
134.07092	6.5
135.11684	37.4
136.08688	7.8
137.08197	6.2
137.13222	8.1
147.11694	19.8
148.08664	8.4
149.07066	4.2
149.08189	15.8
149.13216	46.0
150.10295	5.0
151.09763	7.3
151.14767	3.7
161.13210	27.2
163.09734	16.4
163.14818	30.0
172.08673	4.7
173.08147	5.0
175.09729	4.5
175.14803	14.6
177.16347	16.5
188.09230	5.4
189.11366	5.8
189.16402	21.8
203.17981	17.0
215.12907	6.5
217.19441	28.0
231.13477	4.2
273.14423	5.8
273.18469	7.5
273.25690	100.0
276.67535	4.1
293.17844	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	273.9354
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03150	0.4
76.03129	0.3
79.04218	0.6
91.04199	0.6
92.03735	0.4
92.35374	0.3
103.04195	4.8
104.02590	3.3
105.56850	0.2
107.03654	0.4
119.01292	6.5
119.03675	1.8
122.62823	0.3
129.02103	0.4
137.34357	0.3
145.85402	0.2
147.03128	20.4
163.00262	0.6
163.12257	0.3
179.02045	2.4
189.43535	0.3
245.94234	0.3
255.92468	34.2
273.93546	100.0
274.27414	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	274.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12937	1.9
51.16771	1.8
56.96569	3.5
57.05788	3.8
61.01137	5.3
64.95147	2.5
68.83862	2.7
73.63037	2.2
75.20948	2.3
76.06667	2.2
84.08155	3.4
85.79012	2.2
86.06032	2.8
99.06823	9.4
99.73392	2.5
105.00064	22.5
126.02311	30.7
127.01830	61.9
128.02617	3.6
131.97466	3.2
132.95856	5.1
149.96092	16.5
150.96852	11.6
154.04163	8.8
167.97115	9.8
169.02843	100.0
169.06493	2.6
172.97685	3.0
190.98698	40.7
191.97176	5.1
208.99756	5.8
211.66003	3.0
232.01878	22.5
232.30235	2.4
232.99721	23.4
238.21713	2.9
261.75494	2.8
274.06497	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12313	0.6
57.07061	1.7
64.76050	0.7
67.45311	0.8
70.04063	100.0
71.08602	0.8
74.06054	1.3
88.07592	3.4
91.05458	4.1
98.77453	0.8
101.81532	0.9
105.06987	3.3
106.08630	4.0
109.61793	0.9
117.07008	6.5
131.08488	3.0
177.85696	0.9
274.19061	42.2
274.22092	1.4
274.27325	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	275.091
Annotation	Lecanorin
Peak:m/z	Relative Intensity
51.95291	0.3
52.94601	0.3
56.40983	0.3
65.03941	0.6
67.05502	0.4
69.07056	0.5
70.00887	0.3
79.05446	0.3
81.07034	0.6
83.22078	0.3
93.06999	0.6
95.04923	0.7
95.08591	0.6
97.57373	0.3
105.07024	0.7
107.08537	0.4
109.06477	0.7
109.10150	0.7
119.08553	0.4
121.10099	0.3
133.10124	0.4
141.05437	0.7
145.10097	0.6
147.11659	0.5
151.03883	100.0
151.04878	3.9
159.11661	0.4
161.09648	0.3
167.27040	0.3
171.11780	0.4
173.13303	0.4
185.13066	0.4
215.14197	0.3
239.93929	0.4
257.15286	0.5
257.18933	0.8
275.09085	20.7
275.16486	0.7
275.20016	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	275.1632
Annotation	Haterumadysin A
Peak:m/z	Relative Intensity
54.31734	5.1
55.05483	7.5
57.07063	6.5
58.91395	5.4
67.05482	14.7
69.07053	7.8
71.04961	7.4
74.40086	5.2
75.49879	5.9
77.18117	5.1
79.05454	10.1
81.07054	41.9
82.16966	6.5
91.05450	27.4
92.17458	7.2
93.07021	25.2
95.08574	32.2
97.83222	6.2
99.04448	6.2
105.07004	53.9
107.08574	32.7
109.06499	11.6
109.10116	13.6
109.34116	6.0
117.06986	10.3
119.08530	45.2
121.06466	9.1
121.10121	25.3
123.08028	7.7
131.08525	50.9
133.06429	8.0
133.10071	49.0
135.08014	25.1
135.11626	9.4
137.41202	5.7
143.08501	11.8
145.06461	9.3
145.10101	34.5
147.07956	9.8
147.11670	32.2
155.08543	13.1
157.10086	28.7
159.08011	28.6
159.11684	11.5
161.05911	7.0
161.09541	11.7
161.13284	6.4
163.11067	7.5
165.83891	5.5
169.10059	33.5
171.11650	10.8
173.09557	42.4
173.13240	32.7
183.11668	10.9
185.13322	5.8
187.11119	26.4
187.14841	25.2
197.09619	7.3
197.13243	42.8
199.11147	10.6
201.09087	14.1
205.08447	8.1
215.14195	53.0
215.17934	8.1
219.10046	10.2
229.15889	42.3
239.14095	9.8
257.15268	71.1
257.19040	13.9
275.16348	81.4
275.19980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.05504	4.6
55.13269	4.9
56.96553	11.1
67.05484	11.0
79.05473	6.6
81.07055	20.6
83.08600	4.1
85.06519	7.7
91.05455	19.0
93.07020	21.0
95.00080	3.9
95.08601	25.7
95.95042	5.2
97.06491	4.2
100.97963	5.4
103.21516	4.7
105.07012	44.8
107.08573	30.2
109.10121	11.7
119.08547	25.4
121.10159	7.3
131.08527	9.8
131.83485	4.7
133.10086	43.4
145.10117	19.3
147.11656	29.9
149.09634	5.5
159.11659	11.9
163.11186	7.2
192.91714	10.5
257.18912	10.7
275.12360	4.9
275.17059	13.1
275.20029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.99426	0.9
55.01874	1.3
55.05520	7.9
57.03429	3.7
57.41056	0.8
59.06246	0.8
65.31077	0.7
67.05502	8.4
69.07069	7.5
79.05486	8.6
81.07056	11.1
83.08605	7.7
91.05474	19.8
93.07047	9.8
95.08601	13.8
97.10172	1.5
99.08059	1.1
105.06353	1.8
105.07029	37.7
107.08604	11.5
109.06499	1.3
109.10126	3.5
113.05972	0.9
114.38734	1.0
117.06992	7.6
119.08568	36.0
121.10129	5.9
122.75577	0.8
129.07021	1.8
131.08563	8.9
133.10127	26.5
135.11703	2.2
143.08574	1.9
145.10114	13.9
147.11681	34.7
149.09621	1.9
157.10127	3.9
159.11676	14.1
161.13246	11.7
163.11156	1.4
169.10152	3.3
171.11696	1.3
173.13280	6.6
175.11172	1.6
175.14804	2.2
183.11632	1.8
185.13191	7.2
201.16364	1.2
203.14305	3.9
215.17883	1.0
239.17902	4.7
243.34146	1.2
257.18936	8.3
275.20044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05511	7.7
57.03439	6.0
67.05507	9.8
69.07066	9.3
72.22274	0.7
76.87509	0.7
78.52051	0.8
79.05508	6.7
81.07048	11.6
83.04981	1.0
83.08616	6.6
85.06508	3.8
88.29374	0.8
91.05457	19.2
93.07031	10.2
95.08592	12.5
97.10172	1.2
99.04414	1.0
105.07023	33.6
107.04940	1.3
107.08568	9.9
109.06483	3.8
109.10158	1.7
117.06979	6.3
119.08572	32.2
121.10121	5.4
127.07540	1.3
129.06981	3.3
131.08563	9.4
133.10112	32.6
135.08023	1.6
135.11703	1.5
143.08545	5.0
145.10114	12.0
147.10524	1.2
147.11684	31.5
149.09564	3.8
157.10120	4.5
159.11684	15.5
161.09570	0.9
161.13203	13.1
169.10097	1.6
171.11693	3.1
173.13252	5.5
177.12775	1.1
183.11690	4.7
185.13232	7.8
191.10645	1.1
196.32111	0.8
197.13132	1.6
201.12752	1.7
201.16302	1.0
203.14307	4.4
219.13779	1.3
219.17374	1.7
233.18265	0.9
239.18018	4.0
257.18967	12.6
275.20013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58303	0.1
56.96569	0.9
58.06299	0.4
58.06589	8.2
59.07371	4.1
60.04531	0.2
60.08157	6.9
60.08451	0.3
61.02917	0.2
67.04221	0.2
68.34968	0.2
69.03422	0.8
70.06589	0.4
72.08137	1.7
73.02911	0.4
74.06070	0.8
79.02184	0.4
81.03410	0.3
82.02940	0.3
83.99098	0.4
84.04502	0.7
84.08126	0.2
84.19543	0.2
85.02891	2.5
86.00650	0.3
86.09690	1.0
87.04453	0.3
93.04536	0.2
96.08111	2.1
97.02870	1.1
97.03979	1.4
98.00636	0.2
98.97552	0.3
102.84252	0.2
108.03168	0.2
109.03987	0.3
113.01672	0.3
113.03511	0.3
113.07064	0.2
113.10727	0.4
114.05489	0.3
114.09140	25.3
115.88953	0.2
116.89295	0.2
119.00175	0.3
121.99296	0.2
125.01707	1.0
125.07113	0.8
126.07457	0.7
127.03898	0.4
129.01117	0.3
132.95999	0.2
134.97870	0.8
137.01137	0.2
138.05545	0.6
141.01144	26.1
141.10188	0.2
142.01964	0.4
143.02707	2.9
143.11789	0.3
145.01660	0.2
146.08102	0.2
147.07713	0.3
152.98869	0.3
157.00684	1.4
159.07588	0.3
163.02730	1.1
166.99001	1.3
168.11272	0.3
173.03754	0.3
174.99086	0.9
179.02185	0.4
181.03806	0.3
185.00113	2.4
185.06148	5.9
188.02248	0.7
189.03143	0.3
189.45520	0.2
193.00163	0.7
196.91716	0.4
197.92143	0.2
200.08482	100.0
201.09267	3.3
202.10069	2.6
206.03291	0.2
215.97145	0.2
216.07333	0.2
226.06331	0.9
232.11153	1.8
234.99324	0.4
244.04910	0.4
244.07448	12.9
276.10037	25.4
276.14142	4.1
280.44550	0.2
298.64725	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	276.1071
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
52.36971	0.5
55.01854	0.7
55.93514	1.6
60.04506	1.6
69.03403	2.7
69.07025	0.7
70.06571	0.9
71.93008	0.7
72.08136	6.2
72.93768	1.4
74.06083	0.8
80.04996	0.8
81.03394	4.1
83.04922	0.8
84.04485	12.0
85.02888	2.6
86.09685	12.1
86.54527	0.6
87.03163	0.8
88.03960	3.2
89.22884	0.6
90.94798	1.6
96.04467	7.3
97.02869	6.9
98.06028	7.8
99.04439	2.6
108.04493	0.9
109.02863	4.1
114.05508	2.9
114.09132	0.7
116.06989	0.7
120.06547	0.7
126.05481	21.3
127.03884	5.1
129.10185	5.5
129.43616	0.8
130.04964	3.4
131.95013	3.2
132.10204	1.0
132.95796	3.3
138.05469	100.0
143.11761	1.5
144.06525	25.3
144.07574	1.1
144.95808	3.4
147.07581	6.3
149.96082	3.2
156.06546	1.2
156.95775	1.3
158.97363	1.2
159.11238	1.3
160.97610	0.6
161.06758	1.3
161.96024	3.0
162.96864	1.5
163.07129	0.7
168.06500	12.8
169.96545	6.1
171.11121	0.8
173.96077	6.8
174.96831	1.3
186.07532	11.4
186.96880	3.9
187.97600	2.9
198.96738	1.0
199.97630	1.6
200.08534	4.7
201.08679	3.2
209.96010	1.2
210.11205	0.9
212.12636	1.5
215.01157	0.8
215.97121	1.2
216.97807	1.1
227.96992	1.0
230.13837	7.8
234.98825	0.7
248.14951	0.8
258.13275	6.6
275.99127	11.2
276.10904	8.9
276.14413	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	276.1188
Annotation	(5-L-Glutamyl)-L-glutamine
Peak:m/z	Relative Intensity
55.09082	1.2
58.06591	5.2
59.07375	1.5
60.08155	5.2
61.48699	1.1
69.03408	1.5
69.76646	1.0
70.06581	5.1
70.88680	1.3
72.08141	7.7
74.06047	1.5
76.04002	1.3
76.60969	1.1
77.78497	1.2
84.04498	82.1
84.08138	12.8
84.72548	1.2
85.02902	5.3
86.06079	2.2
86.09698	3.1
96.08127	1.9
97.02872	2.2
101.07168	2.0
102.05543	5.9
109.02876	1.9
109.84073	1.3
110.06020	10.6
112.99954	1.3
114.09145	28.9
114.80727	1.2
116.07086	1.5
118.08692	1.5
126.05525	1.8
128.07060	1.4
129.06592	2.3
129.10262	2.0
130.04089	2.5
130.04985	40.4
130.08595	1.8
138.05492	7.5
141.01169	11.9
142.04997	5.2
147.07631	100.0
155.08160	13.2
156.06522	12.2
173.96091	2.0
183.07648	7.2
185.06181	2.7
200.08504	57.6
201.08682	38.2
213.08737	10.8
216.07169	1.2
223.14433	1.4
240.68205	1.6
241.08186	2.7
244.07460	7.9
258.10785	2.9
259.09161	11.8
276.11838	23.0
276.14648	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	277.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96877	0.6
53.13404	0.6
54.69251	0.6
56.05052	0.7
57.36731	0.5
58.27729	0.6
58.70998	0.5
62.76117	0.7
84.04498	45.3
85.02905	0.7
95.08578	0.8
106.02918	1.2
115.76596	0.7
120.08093	100.0
124.03942	4.3
131.04903	1.2
149.05983	1.5
149.39801	0.7
151.03873	1.3
166.08620	38.9
186.09120	5.2
231.11256	20.1
231.13417	1.1
259.10739	1.0
277.11774	10.9
277.18054	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	277.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04598	1.0
57.03428	1.1
57.68562	1.3
73.06548	1.6
74.02435	7.6
83.71611	1.1
85.02927	2.1
85.42561	1.2
90.05532	1.4
100.74435	1.3
101.66966	1.3
106.02913	10.0
124.03947	26.2
129.87709	1.3
130.06531	19.0
144.08130	11.4
146.06000	16.7
158.09631	14.5
167.07230	1.6
168.08057	35.9
170.09625	1.5
172.07565	8.0
179.10655	1.4
180.08070	2.9
182.05978	2.3
184.07539	1.8
186.09125	100.0
188.07077	24.9
195.09149	25.6
196.07571	8.7
205.02992	1.6
213.10202	6.5
214.08569	2.4
224.07137	7.9
229.09663	2.4
231.00902	1.7
231.11354	2.3
235.16931	10.2
239.01428	1.5
241.09802	18.1
242.08026	13.2
259.10678	14.8
268.08112	1.5
277.08691	5.2
277.11807	42.6
277.17981	8.0
277.21634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.8
68.79552	0.4
68.99766	2.4
69.07066	0.8
79.05484	1.7
80.13885	0.4
81.07040	2.6
85.06533	0.6
87.00809	0.7
93.07030	4.3
95.08595	2.3
99.04434	2.2
105.01231	0.7
105.01865	11.9
105.07026	1.7
107.08580	3.6
109.06536	0.9
109.10155	2.4
111.00806	2.3
111.08078	0.7
115.03905	5.5
119.08579	1.8
121.06561	0.5
121.10114	2.9
123.08057	0.5
125.09650	0.9
129.01820	15.1
129.06995	0.5
131.08527	0.9
133.04955	35.3
133.10112	2.2
135.07968	0.5
135.11649	1.0
137.09618	0.4
139.00259	7.2
145.10133	0.8
147.11656	1.0
149.13225	2.4
151.03830	0.7
151.11246	0.6
157.01418	3.7
157.04941	100.0
159.11673	1.9
161.13245	0.6
175.14690	0.7
185.04442	1.0
201.12814	0.6
201.16422	0.6
203.09131	6.9
213.07475	0.4
219.13849	0.5
223.63173	0.5
241.15871	0.5
259.17023	0.9
259.20474	1.6
277.18124	3.7
277.21448	3.8
288.08878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1794
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
55.01842	2.6
55.05500	1.6
57.07059	0.5
66.31458	0.3
67.05502	3.8
68.87630	0.4
69.07047	3.8
71.08620	0.8
79.05476	3.5
81.07046	17.3
83.04958	2.0
83.08601	1.9
91.05466	1.6
93.07019	4.0
95.08581	4.3
97.06494	0.6
99.08078	0.6
105.07033	2.4
107.08572	3.9
109.06499	7.7
109.10168	2.6
111.04423	12.2
119.08551	2.2
119.91459	0.4
121.10165	3.6
123.08076	0.6
123.11678	1.5
125.05986	3.1
127.89148	0.4
131.08554	1.8
133.10098	3.2
135.08038	0.6
135.11670	3.8
137.05957	100.0
137.13242	0.7
138.23936	0.4
143.08511	0.6
145.10092	1.8
147.07977	1.7
147.11633	3.6
149.09581	2.8
149.13231	2.2
151.07526	2.7
151.11183	0.6
157.10112	1.6
161.09615	4.5
161.13248	1.7
163.11169	2.6
163.14792	0.6
164.96024	0.4
165.09094	1.6
165.12628	0.6
171.11656	0.5
173.13251	0.8
173.38960	0.3
175.11157	3.4
175.14774	0.6
179.10652	1.5
189.12665	0.5
189.53040	0.4
203.17966	3.4
213.16368	2.1
221.19008	1.6
231.17365	4.5
241.15753	0.7
249.18411	5.0
250.11508	0.4
259.20596	0.6
277.14948	0.5
277.17950	13.9
277.21524	6.0
295.19031	0.9
296.56628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1794
Annotation	Spirodysin
Peak:m/z	Relative Intensity
50.03428	1.1
51.75279	1.1
55.05500	7.4
57.07068	1.6
58.59594	1.3
66.28191	1.5
67.05497	13.6
69.07046	10.4
79.05481	23.5
81.07050	29.2
83.05003	1.5
83.08589	1.7
91.05455	6.6
93.07025	36.9
95.04937	1.7
95.08588	18.0
99.08128	1.8
103.46096	1.5
105.07027	9.9
107.08564	18.6
109.06489	11.5
109.10168	5.5
111.04438	14.0
111.08119	1.5
119.08560	7.8
121.10119	23.5
123.08081	1.8
123.11632	2.3
125.05946	3.3
131.08551	3.4
133.10133	7.1
135.08032	2.2
135.11676	26.3
137.05959	100.0
137.09532	1.7
143.08540	2.8
147.11668	8.4
149.13268	13.5
151.07562	1.5
157.10072	3.5
159.11684	5.7
160.10512	1.4
161.09558	5.9
161.13191	5.1
163.11180	3.1
171.11653	1.4
173.13191	2.0
175.05896	1.6
175.11259	4.9
179.14304	1.6
181.12262	1.7
185.13193	1.9
189.07372	1.9
193.12254	1.9
213.16286	1.7
231.17340	3.5
235.16861	2.9
249.18388	7.0
259.20529	2.6
277.17975	17.7
277.21591	44.2
277.24377	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	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05503	17.9
57.03435	4.4
57.07073	14.4
60.25706	2.3
61.27675	2.7
63.06065	2.8
67.05504	34.7
69.07053	26.3
71.04980	13.0
71.76183	2.7
74.06068	14.7
79.05493	28.5
81.07053	54.8
83.08604	13.3
85.06538	3.4
87.40495	2.8
91.05479	5.9
93.07037	74.3
95.08595	45.9
99.04470	3.0
105.07026	19.1
107.08586	55.4
109.06495	5.4
109.10155	20.4
117.07017	6.3
119.08573	17.6
121.10141	60.7
123.08025	5.7
123.11671	4.4
125.09599	5.0
131.08574	5.1
133.10126	20.2
135.11687	45.6
139.11186	3.8
145.10098	6.0
147.11696	12.4
149.02336	53.8
149.09660	3.6
149.13255	22.4
157.10097	3.4
159.11694	11.6
161.13216	6.6
163.11174	3.3
165.12703	4.3
171.11726	4.9
172.12474	3.5
173.13193	7.3
175.14931	4.1
177.16324	14.9
187.14803	4.5
194.91800	12.4
201.16380	3.7
215.45555	3.1
221.15187	3.4
241.19617	11.6
259.20508	16.5
261.52179	3.2
277.17773	39.3
277.21555	100.0
277.25430	4.2
299.18021	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	277.2157
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.10332	0.9
55.05507	11.8
57.07066	1.9
57.34431	1.0
61.02863	1.0
65.06387	1.0
67.05495	25.5
69.07052	15.6
71.04963	1.2
73.06521	1.3
79.05480	63.1
81.07041	31.3
83.04957	1.5
83.08600	6.0
85.06503	1.4
91.05466	13.0
91.76790	1.2
93.07024	100.0
95.04949	4.5
95.08587	26.7
97.06519	1.6
97.10167	2.4
105.07005	9.6
107.08572	51.3
109.10143	12.6
117.06969	2.0
119.08563	10.2
121.10116	52.0
123.11634	1.5
131.08540	2.6
133.10078	14.3
135.11662	46.6
145.10019	1.5
147.11682	8.3
149.13235	16.9
159.11646	1.9
161.13168	2.1
163.14771	6.7
171.11780	1.5
173.13223	1.9
175.14819	1.4
185.13205	1.6
188.63835	1.2
207.13603	1.4
221.15356	1.4
230.86481	1.2
231.91977	1.5
235.16954	1.7
259.20340	1.7
270.97388	1.2
277.21576	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	277.2157
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.01848	3.7
55.05486	9.6
57.07047	2.4
60.20722	1.6
67.05180	1.5
67.05498	24.9
69.07055	16.7
71.08607	16.1
75.72366	1.4
77.33496	1.3
79.05470	22.2
81.03406	2.0
81.07041	27.2
83.04941	2.2
83.08573	8.7
84.57724	1.4
87.46949	1.3
91.05448	10.5
93.07015	43.0
95.04969	5.4
95.08581	20.2
95.13600	1.6
97.06487	7.2
97.10139	6.2
99.08075	11.3
105.06995	11.5
107.04862	1.9
107.08582	21.9
109.06501	1.8
109.10119	12.5
111.08057	3.3
117.06950	1.8
119.08546	6.3
121.10165	12.9
123.08038	1.9
123.11654	3.4
131.08539	2.0
133.10083	10.9
135.08000	1.6
135.11691	18.7
135.77859	1.7
137.09564	3.0
141.12732	1.8
143.08437	1.8
145.10052	8.7
147.11659	10.8
149.09624	2.4
149.13196	9.7
151.11127	12.8
157.10042	1.9
159.11639	3.3
161.13206	8.2
163.11156	14.7
163.14792	2.8
165.12656	3.4
171.11620	2.2
171.28329	1.5
173.13226	2.0
175.14813	2.2
177.16193	1.9
179.14262	6.0
181.12303	2.2
183.27405	1.4
221.15382	1.8
241.19441	5.8
249.22083	1.8
259.20551	8.4
275.20065	1.6
277.18387	3.9
277.21552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	14,15-Dehydrocrepenynic acid
Peak:m/z	Relative Intensity
61.27179	2.0
67.05505	8.1
69.07039	2.9
74.00494	2.2
79.05479	2.2
81.07046	18.0
91.05455	3.2
92.13808	2.3
93.07030	8.2
95.08582	43.7
96.25291	2.1
97.10164	3.2
105.07027	10.6
107.08593	12.8
109.10119	18.0
111.08027	2.9
114.68845	1.9
119.08556	11.0
121.06538	2.5
121.10116	23.3
123.08052	19.8
123.11684	4.8
127.11276	1.9
131.08588	4.7
133.10094	12.3
135.11682	2.7
137.09578	15.3
137.13220	2.9
139.11133	3.3
143.08479	2.9
145.10104	9.7
147.11650	5.0
151.03889	11.0
157.10101	4.7
159.11656	9.8
161.13199	2.9
163.11154	3.0
171.11574	5.3
173.13237	4.6
181.99956	2.5
185.13269	11.4
187.14668	3.4
189.12578	3.7
199.14876	3.3
213.16389	3.2
235.16954	3.2
238.67598	2.3
241.19402	22.7
259.17001	4.5
259.20547	14.7
274.33307	2.1
277.14484	2.1
277.18243	7.4
277.21518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2155
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.50386	1.9
55.05493	10.9
57.03412	4.7
65.24149	2.0
67.05494	27.2
69.07047	15.8
71.04998	2.5
71.22974	2.0
79.05482	56.5
81.07034	37.3
83.08611	4.7
91.05450	14.3
93.07015	80.1
95.08573	29.6
97.10136	3.8
99.08074	3.2
105.07018	13.6
107.08568	57.1
109.10099	19.2
112.94100	2.3
119.08543	13.1
120.44122	2.1
121.10119	51.3
133.10098	16.5
135.11653	51.1
137.09550	2.9
145.10107	4.8
147.11610	12.4
149.13234	19.5
161.13214	9.2
163.88539	2.5
184.24486	2.8
187.14742	4.1
205.15851	3.2
213.16266	2.8
217.85832	2.3
235.16862	2.4
259.20496	4.2
277.21545	100.0
291.38773	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05509	14.0
55.39744	2.7
57.07058	5.9
61.75455	2.8
62.04145	2.8
63.68719	3.1
65.75733	3.0
67.05510	27.3
67.44079	2.8
69.07059	21.1
69.07395	3.0
71.08615	3.1
79.05494	29.7
81.03418	19.4
81.07053	43.2
83.04994	4.5
83.08666	4.7
90.95444	3.2
91.05485	7.8
93.07039	42.4
95.04967	7.9
95.08587	20.7
97.06522	3.3
97.10188	3.6
104.10761	4.6
105.07029	21.8
107.08606	31.8
109.06529	8.1
109.10159	14.5
111.04447	6.4
119.08584	17.3
121.10147	22.9
123.98839	3.7
131.08582	4.3
133.10075	11.4
135.11644	5.4
137.05972	96.3
137.06944	6.1
147.11699	20.3
149.09659	6.5
149.13281	3.9
151.11194	15.9
161.09607	4.4
161.13263	16.9
163.14735	3.5
171.11754	4.1
175.14644	3.3
231.17410	4.8
235.16753	11.1
236.11600	3.9
238.79950	3.4
241.19603	4.7
249.22122	3.5
259.20370	4.7
273.54858	3.1
277.18137	19.5
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	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05500	9.5
57.03422	11.1
57.07080	2.5
63.47506	2.0
67.05508	30.7
69.07053	14.2
71.04996	2.3
71.08632	18.1
79.05484	40.7
81.07052	41.2
83.04964	3.7
83.08604	9.6
83.34832	2.1
85.06498	3.0
91.05460	18.9
93.07029	75.4
95.08590	34.8
97.06493	4.3
97.10158	4.4
99.08081	13.1
105.07018	12.5
107.08575	52.7
109.10132	13.6
109.10842	2.4
111.08076	4.1
114.19009	2.2
117.06989	4.4
119.08582	18.4
121.10115	42.0
123.08083	2.8
123.11690	4.4
125.09656	2.4
129.06898	2.5
131.08556	10.0
133.10098	11.0
135.11670	40.9
137.09616	3.4
145.10065	7.7
147.11653	4.6
149.09723	2.4
149.13231	17.6
151.11122	11.8
159.11717	2.9
161.13196	3.6
163.11157	3.7
179.14229	16.6
187.14807	3.5
211.40778	2.3
235.16867	9.3
259.20441	8.6
277.18369	5.2
277.21530	100.0
277.26785	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	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
55.01866	2.7
55.05500	15.5
57.07066	4.9
67.05495	39.5
67.73730	2.2
69.07057	17.5
77.21335	2.6
79.05486	35.8
81.07044	44.5
83.08594	11.9
85.06537	5.0
91.05470	14.9
93.07033	65.2
95.04974	3.3
95.08590	31.8
97.06487	3.5
99.08067	3.9
105.07027	18.6
107.08590	38.9
109.10170	16.1
111.08012	2.8
117.06970	3.4
119.08573	14.3
121.10149	44.7
123.11696	3.4
129.06976	2.5
131.08551	2.9
133.10135	16.3
135.08023	3.2
135.11664	33.3
137.09634	3.3
145.10117	4.9
147.11714	14.5
149.13257	21.1
159.11629	4.3
161.13251	13.4
163.11131	3.1
163.14719	4.2
175.11176	4.0
179.14369	2.8
217.19496	4.3
221.15417	5.5
230.13858	2.6
235.16968	11.2
241.19510	5.2
259.20535	11.4
277.18784	5.5
277.21582	100.0
277.26715	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	278.9512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88052	2.8
56.00320	2.2
74.86853	2.3
77.45287	2.5
84.08128	28.2
90.01256	2.3
101.00854	11.3
106.53870	2.6
119.01881	32.6
128.07063	3.1
130.08595	20.1
136.92935	3.4
136.93994	100.0
143.01840	29.8
161.02905	53.8
163.02637	3.3
169.40388	3.0
172.98769	3.6
177.02419	14.9
180.10159	10.6
190.99852	4.6
191.03937	4.4
207.01691	3.8
214.99820	14.9
233.00887	5.8
238.01393	3.1
243.13268	3.7
261.04529	13.4
261.14478	3.3
278.95102	11.0
279.05490	21.4
279.15497	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	279.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98699	2.3
59.30977	2.6
66.87239	2.6
83.49162	2.7
84.08145	4.5
101.00842	2.9
110.69130	2.7
279.04672	100.0
280.39651	2.8
298.42285	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	279.0906
Annotation	Sulfamethazine
Peak:m/z	Relative Intensity
50.37809	0.4
57.07047	3.2
67.05470	0.5
68.04974	0.6
69.32466	0.5
75.25611	0.5
80.62771	0.6
84.08125	0.6
95.08590	0.6
102.03685	0.6
115.02100	1.0
117.07038	0.5
121.88676	0.6
126.03688	2.4
135.06647	3.2
136.07434	0.6
138.06604	2.3
142.14735	0.6
144.04753	1.3
147.04375	0.7
149.02319	27.0
152.07065	0.6
163.06113	3.1
183.05835	4.1
195.03310	1.2
196.88942	0.6
200.42931	0.6
210.06967	1.1
220.07678	3.9
233.08531	2.4
248.07333	0.7
251.09560	25.5
261.08072	3.4
279.09039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1006
Annotation	H-Glu(Met-OH)-OH
Peak:m/z	Relative Intensity
56.04768	1.4
56.05035	36.3
57.07063	1.7
61.01146	15.0
66.30586	0.7
67.05479	0.8
68.93929	0.6
70.06584	6.3
71.04996	0.7
71.87057	0.7
74.06022	0.9
81.07052	0.7
84.04497	78.9
85.02886	5.1
86.06059	1.0
86.09695	1.5
87.02692	4.5
102.05538	12.8
104.05320	100.0
122.06008	4.3
122.07149	1.6
130.04993	19.4
131.01614	2.8
133.03175	77.8
147.04396	0.7
149.02328	18.4
150.05824	90.2
158.06270	1.6
163.06117	3.6
164.06471	6.3
165.40607	0.8
166.05312	1.2
168.06557	12.6
170.06274	3.2
200.95525	1.4
216.06807	8.8
248.48973	0.8
261.09015	1.6
262.07471	7.6
279.10059	30.4
279.13141	3.4
279.23038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.122
Annotation	Populene G
Peak:m/z	Relative Intensity
55.05502	4.8
57.07066	4.6
66.00698	0.3
67.05466	1.5
69.07031	0.6
71.08583	0.6
73.06535	0.4
77.26405	0.3
79.05455	0.7
81.07035	2.8
84.36613	0.4
91.05401	0.4
93.06985	0.6
95.08585	2.6
96.11296	0.4
97.06505	0.5
104.63300	0.4
105.06999	0.4
107.08528	1.4
109.10094	0.9
114.09132	0.4
117.18539	0.4
119.04858	0.7
119.08488	0.6
120.08086	0.4
121.06414	0.4
121.10102	0.7
123.07985	0.6
133.10056	0.5
135.07996	0.4
135.11618	0.5
141.05371	0.5
145.10040	0.6
147.04398	5.8
147.11620	0.6
149.02301	33.0
161.32117	0.4
164.04642	0.6
167.03291	0.4
175.03854	7.7
192.04106	11.5
195.10127	0.4
201.12651	0.4
202.90022	0.4
207.06461	100.0
219.17493	0.5
229.58597	0.4
233.17216	1.5
251.10229	0.4
261.11176	4.2
261.13669	0.4
261.18411	0.4
279.12198	63.6
279.22913	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	279.1337
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
57.07076	4.7
59.32534	0.5
60.08140	0.8
66.02397	0.5
70.06586	22.5
74.06033	0.7
75.29758	0.5
84.08147	0.7
91.05473	6.0
95.08601	0.6
98.97625	0.7
110.07172	2.3
114.05479	4.3
116.07075	78.1
119.04919	8.0
121.06509	0.7
131.06837	0.7
131.92642	0.8
136.07565	100.0
141.10245	0.7
143.07175	0.7
147.04401	4.3
149.01135	1.3
149.02325	39.1
152.79156	0.6
156.70924	0.7
167.03348	0.6
176.08971	0.7
186.89357	0.5
196.91786	2.6
262.10794	2.4
279.04761	3.7
279.09366	2.9
279.13354	23.4
284.52902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1696
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.45412	0.2
57.07056	1.2
58.36272	0.2
67.05488	1.0
69.03398	0.3
69.07050	0.4
71.08602	0.2
73.02876	0.2
81.07018	0.9
82.49553	0.2
86.09685	45.5
91.05418	0.3
93.06984	1.2
95.04948	0.3
95.08593	1.0
103.05455	1.6
105.07033	0.3
107.08585	0.3
107.30527	0.2
107.72385	0.2
120.08072	100.0
120.60667	0.3
132.10175	2.4
147.04347	0.5
149.02299	10.5
166.08604	3.7
177.03102	0.2
191.36795	0.3
192.33189	0.2
219.05876	0.2
233.16441	1.1
242.42950	0.2
261.18408	0.3
279.09201	0.4
279.16980	10.0
279.20038	0.4
279.23203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1698
Annotation	Leu Phe
Peak:m/z	Relative Intensity
52.52670	0.2
54.42143	0.1
57.07065	0.6
66.37003	0.2
67.05493	0.6
68.91093	0.1
69.07053	7.2
71.08618	0.2
76.56326	0.2
81.07037	1.1
82.56735	0.1
85.72633	0.2
86.09688	100.0
93.07043	0.2
95.08583	0.9
107.08598	0.2
119.08510	0.2
120.08083	6.7
123.11661	0.2
131.04961	0.2
145.10220	0.2
147.04387	1.6
149.02306	5.9
166.08594	5.0
171.04303	0.2
192.84630	0.2
214.84506	0.2
216.57393	0.2
223.03491	0.1
233.08131	0.3
233.16382	0.4
255.44685	0.2
277.40469	0.1
279.08707	0.7
279.16977	6.0
279.23126	0.3
296.97440	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	279.2318
Annotation	17-Octadecen-9-ynoic acid
Peak:m/z	Relative Intensity
52.91762	0.5
53.03939	0.5
55.01873	10.9
55.05514	7.8
56.71943	0.7
57.07078	15.4
65.03934	0.7
67.05501	18.6
69.07062	20.1
71.04991	2.3
71.08613	2.4
79.05478	7.4
79.24509	0.5
81.07053	22.6
82.71206	0.6
83.04975	2.9
83.08614	12.5
83.38140	0.6
85.06551	1.0
85.10155	0.6
91.05481	2.4
93.07037	13.6
95.08598	20.8
97.06528	3.7
97.10155	2.8
103.30358	0.6
105.07031	2.2
107.08595	9.7
109.10148	10.1
111.08074	1.3
113.09573	0.7
117.07011	0.7
119.08539	3.2
121.02821	0.9
121.10136	7.5
123.08005	0.7
123.11690	5.0
130.47714	0.6
131.08553	1.2
133.10130	1.1
135.08047	1.4
135.11702	7.8
137.09598	1.0
137.13237	2.8
145.10068	1.1
147.11697	1.1
149.02330	100.0
149.09604	2.7
149.13229	3.1
153.12720	12.5
159.11632	1.1
161.13240	0.7
163.11168	1.2
173.13249	0.6
177.12740	0.9
181.15813	0.6
196.91811	8.8
205.08679	0.8
219.21007	2.2
233.22635	2.6
239.51096	0.7
243.20992	3.9
251.23680	1.3
261.22073	4.8
279.09311	1.3
279.23123	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	279.2317
Annotation	Crepenynic acid
Peak:m/z	Relative Intensity
55.05506	5.4
57.07067	5.3
62.62331	2.1
67.05173	3.6
67.05505	70.2
69.07063	13.9
71.08627	37.0
76.46500	2.0
79.05485	13.1
81.07056	86.1
83.04957	2.9
83.08621	11.8
85.10184	24.6
91.05485	8.3
93.07024	10.2
94.86600	1.9
95.08035	4.1
95.08605	81.5
97.10141	3.3
99.08082	22.9
105.07047	8.7
107.08595	11.2
109.10148	30.6
113.09640	24.1
119.08587	3.9
121.10130	11.4
123.11701	20.3
128.86823	2.5
131.08562	2.9
133.10135	15.3
135.11679	11.6
137.13261	10.8
145.10110	4.6
147.11685	15.3
149.02411	3.2
149.09560	3.8
149.13290	11.8
151.14822	2.9
153.12788	4.0
159.11632	4.7
163.11118	2.8
173.13269	5.2
195.13770	2.6
209.00168	2.1
233.18933	2.2
243.21098	3.7
251.20071	3.2
261.22348	6.8
279.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03926	0.9
55.05512	10.6
57.07071	2.2
60.51734	1.1
65.03946	1.5
67.05499	85.5
69.07058	14.6
71.04982	1.2
79.05493	11.5
81.07048	99.9
83.04968	1.7
83.08617	16.5
85.06519	2.1
91.05460	6.6
93.07034	20.2
95.08592	100.0
97.06505	5.9
97.10156	8.5
99.08075	2.0
105.07019	6.1
107.08584	13.1
109.06512	1.0
109.10140	46.1
111.08060	4.9
111.11687	1.1
117.07005	1.5
119.08581	8.8
121.10113	19.9
123.04581	1.0
123.08067	5.0
123.11686	16.1
125.09621	1.6
127.07572	1.4
131.08540	4.9
133.10147	7.9
135.08043	1.9
135.11652	10.9
137.09634	3.8
137.13271	7.1
145.10075	3.7
147.11649	8.5
149.02316	12.7
149.09636	1.8
149.13246	4.6
151.11156	1.3
151.14769	3.8
159.11673	3.8
161.13252	8.1
165.12762	4.1
173.13223	1.6
179.14221	2.3
187.14796	2.0
195.47130	0.9
201.04645	4.4
201.16449	1.1
209.15292	1.2
210.96892	0.9
219.05679	16.6
243.20982	8.1
261.22067	13.1
279.09283	44.5
279.23132	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	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.28154	0.4
55.05503	5.8
57.07061	2.5
58.03014	0.5
61.95717	0.5
63.27814	0.5
65.03915	1.3
67.05498	79.6
69.07060	8.7
71.04982	0.7
79.05486	6.2
81.07048	100.0
83.04963	0.9
83.08624	6.6
84.96612	0.5
85.06542	1.9
91.05462	2.4
93.07027	11.7
95.08592	93.7
97.06514	0.7
97.10134	3.3
99.08058	0.9
105.06993	2.7
107.08591	8.0
109.06487	1.0
109.10138	29.1
110.31270	0.5
117.06953	1.0
119.08559	2.1
121.06426	0.6
121.10125	7.1
123.08042	1.4
123.10852	0.9
123.11682	16.4
125.09567	0.6
131.08537	7.0
131.16353	0.6
133.10109	2.1
135.08017	1.2
135.11673	7.0
137.09552	0.8
137.13237	11.2
145.10139	4.0
147.11690	3.3
149.02307	14.4
149.09650	1.0
149.13226	5.3
151.11162	0.7
151.14803	3.3
159.11659	2.7
161.13177	3.0
161.82967	0.6
163.11171	2.1
163.14737	1.1
165.16313	1.0
167.10686	0.9
173.13252	5.9
177.12730	2.5
179.14247	0.6
181.12233	0.8
183.10706	0.5
187.14761	3.6
191.14297	2.3
195.13766	2.7
195.74257	0.6
205.15883	0.7
206.21817	0.5
209.15399	4.0
223.16846	3.4
243.21101	2.2
261.22034	3.5
279.09448	1.1
279.23138	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
54.72926	1.4
55.05514	18.3
57.07070	12.9
61.67336	1.6
61.81057	1.6
65.03909	2.0
67.05499	90.7
67.19643	1.7
69.06738	2.2
69.07058	32.7
71.04977	4.5
79.05476	20.1
81.07048	99.5
83.04972	2.8
83.08615	20.2
85.06520	3.5
91.05468	13.0
93.07020	26.8
95.08589	100.0
97.06490	9.6
97.10155	11.0
99.08057	2.9
105.07018	10.0
107.08562	23.1
109.06477	2.2
109.09428	3.0
109.10137	51.2
111.08048	3.7
117.06984	3.2
119.08566	10.7
121.10114	35.2
123.08020	7.5
123.11681	25.7
131.08528	4.1
133.10088	13.7
135.08038	4.5
135.11652	22.0
137.09587	7.0
137.13264	12.6
145.10088	7.5
147.11646	12.1
149.02335	28.6
149.09634	2.6
149.13199	7.1
151.11185	3.1
151.14752	2.8
159.11708	2.5
161.13200	13.1
163.11201	2.2
163.14775	3.8
165.12651	3.1
172.68018	1.8
173.13147	2.6
175.14749	2.2
187.14796	3.5
197.15312	2.1
223.16881	2.3
243.21046	10.8
261.22086	24.5
279.09387	9.1
279.20020	4.3
279.23108	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.28188	1.0
52.27416	1.1
54.93729	0.9
55.05499	3.0
55.50037	0.9
56.86691	0.9
58.54478	1.2
66.20708	1.2
67.05499	92.0
69.07060	10.2
70.90937	1.2
79.05470	6.8
81.07047	100.0
83.08604	6.7
88.64545	1.3
91.05469	2.0
93.07018	10.6
95.08587	90.3
97.10172	1.9
99.04424	1.3
105.07049	2.2
107.08579	8.2
109.10136	34.8
111.08157	1.4
119.08565	1.7
121.10123	7.3
123.11685	16.1
131.08534	6.7
133.10062	2.2
135.11673	6.0
137.13231	12.7
145.10094	2.1
147.11647	2.6
149.02348	2.1
149.13217	4.7
151.14824	6.7
163.14807	1.9
173.13246	8.2
179.14232	1.3
187.14876	1.9
191.14200	1.8
209.15364	2.4
215.22324	1.3
223.16901	2.1
243.21036	2.3
279.23096	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	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.71765	1.4
55.05516	6.3
55.92688	1.4
57.07065	1.5
67.05152	3.1
67.05499	81.4
69.07050	8.8
71.57783	1.4
71.73691	1.5
74.57964	1.6
79.05473	9.0
81.07047	100.0
81.48058	1.5
83.04990	1.9
83.08589	7.4
83.62364	1.6
91.05467	2.2
93.07019	10.3
95.08592	90.1
95.09201	3.0
107.08598	8.4
109.10143	31.6
119.08543	2.6
121.10112	9.4
123.08028	1.9
123.11694	16.6
127.07520	1.9
131.08533	6.5
133.10091	2.5
135.11627	3.8
137.13258	12.3
139.75160	1.6
145.10155	2.3
147.11658	2.1
149.02299	2.9
149.13225	2.5
151.14813	3.1
159.11656	2.7
163.14796	2.1
173.13243	9.1
177.12764	2.5
179.14240	2.1
191.14288	1.9
195.13786	3.4
209.15326	3.2
223.16931	2.7
243.21037	2.3
245.04272	1.9
261.21997	2.1
279.23151	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	279.2316
Annotation	Crepenynic acid
Peak:m/z	Relative Intensity
50.30372	1.2
53.00289	2.0
55.01867	1.6
55.05497	9.0
55.61024	1.0
57.03390	1.2
57.07058	8.3
57.07301	1.1
58.74952	1.3
64.03171	1.2
65.03925	1.2
67.05496	68.7
69.06760	1.1
69.07065	19.7
71.04987	1.2
71.08620	92.7
79.05477	16.4
81.07049	100.0
83.04957	2.0
83.08600	11.5
85.06521	2.3
85.10143	2.8
85.72717	1.2
91.05470	12.9
93.07017	16.7
95.08595	77.5
97.06493	5.8
97.10152	6.1
99.08088	61.8
105.07027	14.7
107.08616	11.9
109.10150	24.2
113.09612	2.0
117.09128	1.5
119.08545	12.0
121.10130	17.1
123.08025	2.0
123.11674	9.5
127.11162	5.6
127.95306	1.2
131.08557	7.3
133.10120	2.6
135.11679	15.3
137.13225	8.5
145.10098	8.4
147.11670	48.3
149.02321	42.6
149.09613	1.9
149.13228	6.6
151.14777	2.8
153.12706	5.6
159.11638	3.0
163.11145	5.5
163.14789	9.1
165.12738	19.2
173.13199	6.0
177.16319	1.7
179.14259	2.0
181.15820	6.2
195.13771	1.6
209.15344	2.6
233.22556	1.7
243.20905	9.2
251.23705	2.3
261.22110	17.2
279.23138	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05509	5.4
57.03431	0.8
57.07078	3.8
58.11179	0.8
67.05502	94.0
68.78598	0.8
69.07065	9.0
79.05489	5.8
81.07050	100.0
83.08591	4.2
85.06532	1.2
93.06997	7.5
93.68223	1.1
95.08595	94.6
97.10162	2.4
105.07038	1.6
107.08575	8.7
109.10152	55.0
111.31766	1.0
115.21491	0.9
119.08591	2.0
121.10115	7.5
123.11693	27.5
123.12531	1.6
127.07505	0.9
131.08577	3.4
133.10129	1.7
134.61420	0.9
135.11707	5.1
137.13254	9.7
141.15440	1.3
145.10123	1.6
147.11580	1.0
149.02315	20.8
149.13248	2.2
151.14764	2.1
159.11557	1.3
163.14731	1.4
173.13202	4.1
181.12160	1.3
209.15350	1.1
223.16864	1.2
243.21268	1.1
261.22046	4.5
279.23148	47.2
293.15057	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	280.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71147	0.5
52.47638	0.5
59.92762	0.6
74.74532	0.5
86.09216	1.2
86.09704	22.8
87.13320	0.6
92.35175	0.7
104.10741	80.6
114.62057	0.5
118.27718	0.6
118.73927	0.6
146.98230	0.8
153.87415	0.6
176.99152	1.0
196.21754	0.6
221.01845	100.0
235.80342	0.6
280.09189	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	280.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
75.12727	0.9
116.98538	1.0
117.03380	4.7
145.02818	48.9
147.04449	1.3
148.04840	0.9
149.02316	4.0
149.05888	1.0
150.02644	4.1
177.05434	100.0
196.91777	1.9
197.92189	0.9
230.16057	0.8
238.76265	0.9
238.98218	1.2
242.58606	1.0
263.78033	0.8
275.66663	0.8
280.11963	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	281.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72361	0.7
55.05495	1.8
57.80286	0.7
59.94103	0.8
63.25972	0.9
65.15005	0.8
66.43860	0.8
66.68476	0.7
67.57882	0.8
68.20821	0.8
71.91084	0.8
81.04520	7.0
81.07045	0.9
86.33501	1.0
101.05970	1.5
103.34923	0.9
120.08047	5.8
122.07125	23.7
123.07903	100.0
136.06137	11.5
136.07562	7.3
162.04068	5.0
164.08496	1.0
165.07684	6.7
166.08557	1.1
217.13512	0.9
263.10275	1.1
281.10596	68.8
281.27997	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	281.1125
Annotation	Asp-Phe
Peak:m/z	Relative Intensity
55.05499	1.2
55.66711	0.9
57.07055	1.9
59.06346	0.9
60.17754	0.9
61.62603	0.9
66.69185	1.0
66.85175	0.9
67.05481	1.4
69.07050	4.5
70.02934	2.7
74.02399	1.6
78.97231	1.0
81.07039	1.7
83.08609	2.8
88.03964	30.3
91.05444	7.4
95.08589	2.1
97.10155	2.3
103.05461	1.5
107.04946	1.4
109.10114	1.3
120.08067	100.0
121.08412	2.6
123.07979	1.2
127.41521	1.4
130.06447	9.3
131.04866	6.1
144.08070	1.2
157.06416	1.6
166.08577	43.6
172.07532	5.1
175.08630	15.8
182.06004	4.6
190.08495	2.6
200.07016	32.2
212.19330	1.3
217.09659	2.6
218.07985	1.4
220.90610	1.2
221.09178	5.1
235.10710	20.3
246.07535	17.4
254.36951	1.2
256.03363	1.2
263.10236	7.2
281.11255	17.8
288.80103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.25811	0.6
59.17614	0.5
67.84859	0.7
69.07046	0.6
71.24920	0.5
81.07042	1.4
82.12157	0.7
88.67690	0.6
91.05469	0.9
91.31283	0.6
92.16859	0.6
93.07001	1.5
95.04959	4.5
95.08579	2.6
97.10139	0.8
98.65603	0.6
105.03386	100.0
105.07009	1.2
107.04960	1.0
107.08562	0.6
108.36802	0.6
109.10126	2.3
111.08098	0.8
121.10076	0.9
125.09635	0.8
130.06499	3.4
132.08084	1.4
133.10136	2.7
139.85654	0.7
145.10127	0.8
151.36540	0.6
159.09155	42.3
160.07553	19.8
175.11218	0.7
207.10158	0.8
263.11755	11.1
263.16458	2.8
281.12830	12.4
281.19058	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	281.1489
Annotation	3061-91-4
Peak:m/z	Relative Intensity
50.23502	0.9
53.85017	0.8
55.05511	9.0
56.05009	0.9
57.71480	0.9
59.20065	0.8
67.05494	1.4
69.03394	1.0
69.07055	2.0
72.08142	100.0
75.24114	0.9
81.07041	2.6
85.39745	1.2
91.05459	4.6
93.07008	1.2
95.08589	1.4
102.05557	1.7
119.04911	6.3
120.08073	41.5
122.58969	1.1
136.06175	19.6
136.07558	66.0
147.04382	1.8
150.05522	1.5
151.75606	1.0
162.04117	12.4
165.05444	7.0
182.08095	10.1
263.13882	1.4
264.12506	1.5
281.10837	5.5
281.14944	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	281.1494
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
55.05509	2.1
60.52982	1.4
61.66885	1.6
67.53292	1.5
69.07048	2.5
81.03367	2.2
81.07034	2.2
83.06065	2.3
83.08627	2.0
84.04498	14.9
91.04957	1.7
91.05476	32.9
92.17504	2.1
93.07064	1.5
95.08588	4.1
99.04424	2.8
99.84312	1.6
103.14436	1.7
104.98446	1.7
105.07026	2.9
109.10106	2.6
117.06996	43.1
125.00885	1.8
130.05003	3.4
147.04402	2.7
147.09145	50.0
148.04744	4.2
149.02332	9.6
150.05423	2.3
151.03883	1.8
152.10677	27.2
202.29984	2.3
213.10712	1.7
219.06415	1.8
263.13803	10.5
264.12283	7.3
281.10272	6.5
281.14920	100.0
281.18018	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	281.1892
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
53.33866	0.6
54.28205	0.8
55.01816	0.7
55.05493	6.0
57.03426	7.3
57.07049	2.0
61.02901	6.2
63.77601	0.7
64.45256	0.8
67.05472	5.0
69.03055	1.1
69.03413	31.2
69.07040	3.3
69.26657	0.7
71.04951	1.7
71.08610	1.3
73.02888	1.3
79.05462	4.1
81.03400	7.2
81.07035	8.6
83.04964	12.1
83.08586	2.0
85.02881	11.1
87.04427	1.4
89.05995	1.1
91.03932	2.0
91.05465	6.8
93.07012	6.5
95.08577	11.4
97.06476	1.1
97.10077	0.9
99.04444	1.6
105.06998	7.8
107.08572	62.9
109.06480	5.2
109.10106	4.8
109.38129	0.8
111.04404	5.6
111.08024	1.3
117.06989	4.0
119.08559	19.1
121.10079	4.4
123.08042	2.0
123.11649	1.8
129.05461	6.5
131.08534	25.9
133.10095	16.9
135.08029	78.5
143.08530	1.7
145.10089	6.4
147.06511	4.8
147.07994	18.4
147.11670	11.1
156.09271	0.9
157.10052	5.6
158.10870	1.9
159.08015	2.0
159.11627	14.4
161.09549	1.8
161.13298	0.8
163.11130	2.0
169.10104	3.9
171.11641	8.6
173.09532	5.2
173.13208	76.7
175.11069	3.9
181.10011	1.5
182.10869	1.3
183.11633	6.8
185.09711	0.9
185.13155	1.7
187.11163	4.5
193.10034	1.0
195.11655	1.5
197.13206	4.7
199.11107	3.6
199.14818	1.0
207.11597	1.7
208.12422	1.8
209.13208	1.1
211.11084	4.4
211.14781	1.9
219.11682	1.3
221.13210	5.1
222.14012	1.2
223.14743	3.4
225.12592	1.3
233.13174	1.7
234.13992	3.6
235.14723	3.1
237.16295	2.0
238.16953	0.9
238.19283	0.9
239.14240	3.1
248.15506	4.6
252.14949	1.4
253.15697	1.8
253.19438	5.8
263.17841	8.9
281.13858	3.4
281.18900	100.0
281.24033	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	281.2473
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
52.82064	5.1
55.05511	38.2
57.07067	37.5
59.06117	29.5
61.83436	4.7
67.05503	61.7
69.07062	100.0
70.06591	22.2
71.04997	9.1
71.08621	25.8
72.08141	8.2
76.87982	5.7
78.02319	5.1
81.07050	80.7
83.06091	5.7
83.08611	82.9
85.06542	6.9
85.07641	22.8
85.10168	7.1
91.05465	21.1
93.07040	33.8
95.08597	88.3
96.08141	9.4
97.06495	11.3
97.07640	6.6
97.10153	82.7
98.09682	7.3
99.09225	5.3
105.07012	29.8
107.08571	31.4
109.07630	9.8
109.10133	63.0
110.07142	10.6
111.08084	8.9
111.09200	32.9
111.11698	30.1
112.08714	11.0
113.07125	8.7
114.10252	7.6
119.08576	35.1
121.10149	32.3
123.11723	22.9
124.08656	7.9
133.10106	26.2
135.11693	21.6
136.08711	9.6
137.09668	9.3
137.10657	6.4
137.13272	5.4
138.10231	7.7
140.11765	9.9
141.10158	5.6
141.14014	6.0
147.11691	24.4
149.13214	10.6
151.11143	9.1
152.08116	6.1
161.13261	24.4
163.14833	8.4
165.12718	12.0
166.09628	6.5
175.14835	12.9
179.14333	9.0
221.22328	7.6
245.22552	57.9
263.23666	55.8
281.15311	97.3
281.21509	7.2
281.24573	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	281.2474
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.36447	1.8
53.03926	2.0
55.05509	48.3
57.03422	2.8
57.07073	27.4
61.91389	1.9
65.75093	1.9
67.05494	30.6
69.07062	100.0
69.48486	2.0
71.08613	13.2
79.05496	7.2
81.06591	3.0
81.07053	58.2
83.04988	7.9
83.08612	75.8
85.06523	8.5
85.10173	7.9
91.05466	13.5
93.07025	23.1
95.08595	65.4
97.06507	12.3
97.10153	73.1
105.07027	13.3
107.08594	25.5
109.06496	3.1
109.10140	40.6
111.08042	3.4
111.11702	32.2
113.07434	2.1
119.08577	27.5
121.10109	24.6
123.08037	8.9
123.11671	20.2
125.09584	3.8
125.13228	8.2
129.60504	1.9
132.20303	2.1
133.10126	37.5
135.11697	18.3
137.09586	7.7
137.13245	4.4
139.11115	3.1
147.11653	25.3
149.13249	13.0
151.11165	12.1
153.12759	3.7
161.13205	23.4
163.14827	11.2
165.12715	13.6
167.14204	3.2
174.75098	2.2
175.14857	17.0
179.14297	10.5
179.17923	4.0
183.13750	2.3
189.16359	10.0
193.15851	2.8
207.17439	4.0
221.22691	15.3
245.22615	53.9
259.95422	2.1
263.23645	44.6
281.24530	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	281.2472
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
55.05502	63.2
57.07065	38.6
67.05492	23.9
69.07050	100.0
71.08650	9.8
79.05512	16.3
81.07061	82.5
83.08627	89.0
91.05490	15.0
93.07028	33.8
95.08605	80.8
97.10163	48.8
98.98727	8.4
107.08652	13.5
109.10166	43.0
111.11703	13.4
121.10154	18.3
121.34961	8.0
123.11688	17.8
125.09581	8.8
130.21346	10.6
133.10179	14.5
135.11688	10.8
147.11681	9.5
154.94785	11.0
161.13223	11.6
169.85744	9.3
175.14772	11.2
245.22722	20.3
263.19559	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93527	5.8
56.24676	2.9
56.96564	2.7
58.50646	2.3
60.63467	2.5
61.01138	35.7
62.01923	87.7
65.05957	2.8
69.03425	4.4
70.06571	3.8
71.93010	3.9
72.08134	24.9
72.93768	15.3
73.08479	5.2
79.02167	16.6
85.02885	11.4
86.96820	2.8
90.94810	34.3
91.25381	2.7
98.97568	4.9
105.91716	14.7
107.26333	2.7
108.95847	5.4
116.96318	4.8
116.98610	3.2
117.91724	4.2
118.92428	4.7
124.93498	4.0
127.03796	3.5
131.98665	6.9
132.95834	34.2
133.94843	17.0
133.96577	17.1
134.95581	26.9
134.97318	3.1
134.99576	3.4
135.92751	4.2
136.93518	5.3
148.97171	12.2
149.96057	12.6
150.95110	12.8
150.96849	33.9
151.95863	32.1
151.97612	28.5
152.96642	33.0
158.00230	4.6
159.98102	3.8
160.93486	11.5
160.98839	4.6
162.95071	21.9
165.93784	38.5
166.94560	6.6
167.97086	5.0
168.96152	5.4
169.96899	3.2
171.08826	3.2
173.89265	3.1
175.95854	93.0
176.93068	4.4
177.97459	13.1
178.94601	17.1
179.95374	13.2
180.96104	49.6
183.13414	3.3
183.94839	30.4
184.95601	4.5
185.99831	10.5
192.96132	61.7
193.03172	5.9
193.96922	100.0
195.98494	6.4
198.99312	3.7
204.00801	6.1
209.96364	26.0
210.97133	43.9
214.03716	4.8
222.01782	3.1
237.99423	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	282.1192
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
50.65232	0.2
52.95923	0.3
54.12264	0.2
57.03440	0.3
59.04985	0.3
69.03422	2.2
79.18419	0.3
85.02902	0.5
87.04450	0.5
97.02876	0.5
101.05996	1.4
103.69881	0.4
110.30871	0.3
115.03868	0.4
118.65791	0.4
136.06161	100.0
137.07927	2.3
244.71590	0.3
282.11908	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	283.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70848	0.4
51.76239	0.4
55.05499	1.0
57.03428	0.5
57.07061	2.4
58.84568	0.4
66.76891	0.4
69.03410	4.1
69.07046	2.3
69.44626	0.4
70.89925	0.4
71.04965	0.9
71.08619	1.7
71.30023	0.4
81.03414	4.2
81.07030	1.2
83.08611	1.2
83.30896	0.4
85.02879	4.2
87.04456	0.8
89.06011	12.7
93.06981	0.7
94.41827	0.5
95.04954	4.9
95.08585	1.2
97.02855	2.5
97.06505	0.8
97.10181	0.5
99.04466	1.1
107.08605	0.6
109.02854	2.4
109.06501	0.4
109.10139	0.9
111.04504	0.5
111.08018	0.4
112.50152	0.4
116.07085	0.5
121.02837	100.0
121.10100	0.8
127.03893	2.3
133.08600	4.9
135.11664	0.9
136.03926	0.6
139.03874	10.5
139.07375	0.5
140.87206	0.5
153.12625	0.6
156.53180	0.5
157.09592	0.5
163.14775	0.5
165.32753	0.4
177.09323	0.5
177.11121	1.2
247.24393	0.5
265.07043	2.6
283.08093	4.1
283.17398	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	20.8
56.20897	2.1
57.03431	14.9
57.07073	20.7
67.05496	18.9
69.03439	4.4
69.07063	32.1
71.04971	6.1
71.08623	14.5
72.38828	2.2
79.05492	25.8
80.41280	2.2
81.03424	4.3
81.07059	38.2
83.04985	9.8
83.08618	35.2
85.02913	5.4
85.10187	5.3
89.06016	14.9
91.05450	10.0
93.07034	52.2
95.04958	12.2
95.08598	66.6
97.02882	3.8
97.06547	10.4
97.10164	12.8
99.04462	11.4
101.05992	3.2
105.07026	5.9
107.04947	14.1
107.08588	49.5
109.06543	3.3
109.10142	14.6
111.04476	3.3
111.08065	10.1
117.07028	12.5
119.08539	18.0
121.02863	100.0
121.06479	4.0
121.10097	26.1
123.08083	4.5
123.11638	5.2
125.05934	4.9
125.09674	3.3
131.08531	5.6
133.08595	4.4
133.10132	3.7
135.08034	4.6
135.10730	4.8
135.11687	94.4
139.03906	10.0
139.07513	3.3
139.11160	4.5
143.08543	4.9
145.10118	45.7
147.11629	5.0
149.13217	4.4
155.08527	3.0
159.11716	4.1
161.86327	2.5
163.11160	81.0
163.14777	3.2
169.10091	3.3
171.11684	4.9
173.13228	2.6
175.14816	2.7
181.10115	2.9
181.12248	10.6
183.11731	4.6
183.60164	2.3
185.13136	3.3
187.79195	2.4
191.17906	2.9
197.13316	4.8
199.14915	3.6
225.16229	3.7
227.12738	85.5
247.24182	5.4
248.49437	2.9
265.06879	3.1
265.19498	5.4
265.25253	4.4
283.15207	42.4
283.20419	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	283.1689
Annotation	Vedaprofen
Peak:m/z	Relative Intensity
55.05512	4.2
57.07063	6.7
60.32235	1.0
65.79517	1.1
67.05502	4.3
69.07050	8.8
71.08622	2.4
79.05469	2.0
81.07049	6.7
83.04958	1.4
83.08599	7.4
89.05952	1.5
91.05463	1.0
93.07046	5.1
95.08595	10.0
97.10161	2.5
105.07030	1.2
107.08589	5.9
109.10123	4.6
119.08625	2.0
121.10123	2.7
123.11674	2.8
129.06987	1.4
131.08559	2.8
133.10118	1.9
135.11693	2.6
141.06960	2.0
143.08533	7.4
145.10139	5.1
147.11682	1.6
149.13203	1.4
153.06996	5.3
155.08507	11.8
157.10094	5.0
159.11613	1.6
165.06937	1.7
166.07793	4.3
167.08522	17.8
168.24684	1.3
169.10051	2.5
171.08060	6.3
171.11696	4.9
173.13164	1.2
180.09392	4.6
181.10085	64.8
183.08049	1.8
183.11653	24.1
185.09705	1.7
185.13266	5.6
187.11143	2.3
194.10864	1.5
195.11659	34.8
197.13263	8.6
199.14822	4.3
201.09123	1.4
207.11722	2.7
208.12448	1.8
209.13202	46.8
210.13893	1.4
223.14819	1.9
227.08549	2.2
227.10724	38.1
227.14244	62.8
237.16348	39.5
239.17978	2.8
241.12320	6.5
247.24043	1.7
255.17380	1.7
255.21045	1.5
262.23007	1.2
281.89334	1.2
283.16943	100.0
283.20490	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	283.2051
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05483	6.0
57.07052	6.5
60.31602	1.4
66.53156	1.3
67.05486	9.3
69.07054	11.7
71.08599	2.6
78.86941	1.5
79.05472	9.7
81.07050	14.7
83.04964	8.6
83.08583	7.1
85.10159	1.8
89.05970	5.0
91.05466	5.6
93.07037	17.3
95.04948	3.1
95.08591	18.3
97.06493	2.6
97.10152	2.5
105.07021	19.1
107.04952	1.5
107.08587	28.1
109.10152	10.7
111.08059	3.0
114.60975	1.5
117.06983	5.6
119.08555	24.8
121.10118	20.0
123.11677	6.6
125.09601	2.0
129.06972	3.5
131.08531	27.1
133.10107	27.9
135.11661	14.5
135.26210	1.4
137.09573	2.2
139.11143	1.9
142.07721	2.0
143.08531	13.9
145.10115	16.4
147.11665	19.3
149.09575	1.7
149.13193	6.5
155.08495	2.0
156.09270	1.8
157.10110	19.3
159.11659	14.7
161.13191	3.4
163.11081	2.0
169.10039	3.3
171.11646	23.3
173.09506	2.6
173.13220	11.5
175.11041	3.2
181.10057	5.6
183.11630	6.6
185.13232	20.9
187.11154	7.5
187.14810	2.2
189.12737	2.4
195.11659	6.3
197.13240	16.0
199.11076	2.2
199.14816	18.5
201.12813	2.6
209.13243	5.8
211.14687	2.7
213.12726	8.7
213.16333	17.8
223.14720	3.1
225.16351	6.8
227.14244	12.1
237.16380	1.7
238.10011	1.7
241.15756	10.5
241.19463	15.9
255.17450	1.7
255.18523	1.7
255.21022	21.7
265.19302	9.8
265.21964	1.6
283.20508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2054
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.85231	1.5
55.05497	11.1
55.57012	1.5
57.07056	12.0
60.15573	1.5
66.24707	1.6
67.05495	15.6
69.07058	20.3
71.08606	4.6
71.97251	1.7
72.21918	1.7
79.05465	9.8
81.03405	4.3
81.07063	22.6
83.08598	11.1
85.10155	3.6
89.06007	4.7
91.05456	8.5
93.07022	17.1
95.04926	3.0
95.08590	21.8
97.06511	7.8
97.10177	14.0
105.07019	24.9
107.04913	2.4
107.08570	23.9
109.06489	9.2
109.10150	16.0
111.08134	1.7
111.11650	2.3
119.08565	34.7
121.10126	16.3
123.11676	31.8
125.72930	1.8
129.06953	4.6
131.08551	9.9
133.08557	2.6
133.10109	47.7
135.08049	37.8
135.11697	21.9
137.09639	2.1
143.08592	3.0
145.10106	10.0
147.08035	52.3
147.11676	14.3
149.09650	2.4
149.13255	14.9
155.08495	2.4
157.10152	2.2
159.08025	2.2
159.11659	4.5
161.09584	8.3
161.13188	3.6
169.10077	2.2
171.08072	2.5
171.11624	8.4
173.09558	8.6
173.13217	4.2
175.11203	2.9
175.14789	41.5
183.11630	3.2
185.09674	3.3
187.11177	4.0
189.12631	3.3
195.11665	7.0
197.13287	3.9
199.11165	10.4
199.14748	3.7
201.12633	2.8
209.13303	4.2
213.12689	12.3
213.16281	2.3
223.14792	4.3
225.16234	3.6
227.14177	2.6
237.16385	3.2
239.17691	2.5
241.15977	6.8
242.16476	4.6
255.20940	7.5
265.19424	13.8
266.39941	1.9
283.20502	100.0
302.28085	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	283.2057
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.03945	4.3
55.01883	2.5
55.05496	5.6
57.07083	3.3
59.04993	2.8
67.05501	4.5
69.03424	5.6
69.07063	15.8
71.04982	6.1
71.08634	3.7
72.39555	2.4
76.62302	3.7
79.05500	6.3
81.03410	11.9
81.07049	24.5
83.08595	3.4
85.02903	5.8
89.06024	16.3
91.05487	5.7
91.95676	2.7
93.07043	13.9
95.04940	13.9
95.08596	18.1
97.06500	4.2
97.10150	3.5
99.04425	12.4
105.07029	29.9
107.08582	17.5
109.02911	4.3
109.06505	6.1
109.10145	15.0
111.08054	3.0
114.09162	16.1
119.08561	36.9
121.02853	100.0
121.10137	22.7
123.08081	4.7
123.11703	26.7
131.08586	10.0
133.08586	3.4
133.10110	47.6
135.08011	28.1
135.11658	19.3
139.03905	10.9
141.09161	4.0
145.10115	13.6
147.08028	48.6
147.11668	15.2
149.13277	12.9
155.08601	4.3
155.63788	2.9
159.08022	6.7
159.11624	4.7
161.09593	6.3
161.13310	3.9
171.11664	6.6
173.13159	4.3
175.14836	28.2
175.16151	3.4
185.09647	4.6
185.13219	5.1
187.11223	6.7
189.12738	3.1
195.11642	5.6
199.11128	3.3
199.14925	2.9
213.12796	14.7
235.77029	3.3
255.21107	5.0
282.45728	3.0
283.15344	5.4
283.20493	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	283.2623
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
55.05510	30.1
55.05728	3.5
57.03422	4.1
57.07064	63.5
59.90242	3.9
67.05481	10.3
68.55679	4.1
69.07050	100.0
69.26842	3.5
71.08616	41.5
74.06068	3.6
74.92593	3.8
79.05483	8.1
81.07036	51.9
83.04968	6.9
83.08604	65.8
85.05149	4.0
85.10152	22.2
89.05988	4.1
93.07012	29.6
95.08578	42.6
97.06500	21.1
97.10137	46.6
107.08556	37.2
108.85503	4.3
109.10115	35.0
111.11697	9.3
121.10117	35.4
123.11704	9.1
125.09591	16.0
129.09122	6.7
135.11656	31.3
139.11159	19.0
143.10629	4.8
149.13228	26.1
153.12675	7.1
163.14758	16.4
167.46979	4.1
177.16356	5.7
181.15758	6.6
199.14796	4.6
201.12695	4.2
247.24171	25.7
265.25113	35.9
283.17508	8.7
283.20685	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	283.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	25.7
57.07059	94.8
57.48894	8.9
59.47898	10.1
62.11519	8.9
62.46120	9.9
67.05494	48.5
69.07053	84.8
71.08604	51.4
79.05489	15.6
81.07045	83.8
83.08615	84.7
83.29678	11.2
85.10158	18.2
92.17498	10.9
93.07043	14.9
95.08566	100.0
97.06483	20.6
97.10148	56.5
107.08553	26.3
109.10140	27.7
111.08059	21.4
111.11684	12.1
121.10110	20.0
123.11682	15.2
125.09557	12.8
133.10060	11.8
135.11661	46.2
148.88266	12.5
149.13162	17.7
224.44032	10.7
242.24724	16.8
247.24158	15.4
283.20584	20.7
283.28439	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	283.2626
Annotation	Elaidic Acid
Peak:m/z	Relative Intensity
55.05509	37.5
55.42558	3.3
57.07068	100.0
67.05505	32.3
69.07048	90.2
71.04990	7.9
71.08613	64.5
78.45186	4.2
79.05476	10.0
81.07034	54.5
83.04927	6.8
83.08609	70.6
85.06483	7.3
85.10163	32.1
93.07042	39.8
95.08591	61.3
97.06519	26.0
97.10153	50.9
98.80833	4.2
107.08593	32.0
109.10128	28.6
111.08039	24.1
111.11706	19.7
115.07505	6.1
121.10107	45.6
123.11690	8.2
125.09594	17.0
135.11664	42.9
139.11137	28.7
148.45517	5.2
149.13243	25.3
153.12772	11.1
163.14796	18.4
163.95554	4.1
169.40752	4.1
181.15881	8.9
191.17899	5.6
195.17500	6.5
235.96373	4.2
247.24139	33.2
265.22617	6.3
265.25119	41.9
301.35654	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	284.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41546	0.1
53.52652	0.1
56.50560	0.1
60.57141	0.1
66.93847	0.1
101.00867	0.2
105.29876	0.1
115.53455	0.1
119.01898	0.7
121.32317	0.1
128.77252	0.1
137.02904	0.2
177.00952	1.3
182.99901	0.1
185.30800	0.1
201.01001	0.2
217.04048	0.5
219.01990	6.2
225.00793	2.0
242.95929	0.1
243.01939	7.9
261.03033	100.0
263.03442	0.2
266.03479	0.2
284.04657	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	284.0986
Annotation	Isoguanosine
Peak:m/z	Relative Intensity
54.90324	0.1
57.03415	0.2
58.01800	0.1
84.22953	0.1
85.02871	0.3
95.67503	0.1
110.03529	0.2
128.04573	0.2
133.04961	0.2
135.03009	0.8
152.05652	100.0
153.04045	1.4
181.20674	0.1
183.25996	0.1
296.67191	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	284.1273
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
52.18998	0.4
57.07054	0.7
58.75261	0.4
65.66006	0.4
66.35338	0.4
66.49293	0.4
69.07043	0.4
74.19468	0.4
84.20181	0.5
88.07599	0.5
89.06022	0.6
91.05464	2.5
92.17387	0.6
93.07003	4.2
95.04941	0.8
103.05437	2.2
108.22611	0.4
119.04892	6.6
121.02878	0.7
121.06464	48.0
122.03163	0.5
133.16992	0.4
134.07011	0.5
147.04366	100.0
147.60022	0.5
164.07002	2.1
214.19049	0.4
233.03688	0.7
284.10089	0.8
284.12720	22.2
284.20825	0.8
284.29373	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	284.294
Annotation	Stearamide
Peak:m/z	Relative Intensity
57.07061	1.8
71.08609	0.6
72.04485	1.4
78.98161	0.2
87.85161	0.3
102.09154	1.2
116.10693	2.7
130.12227	0.6
155.23634	0.3
157.29300	0.3
284.29416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0749
Annotation	Wogonin
Peak:m/z	Relative Intensity
50.01760	0.4
50.75794	0.4
52.49334	0.4
55.05489	0.4
56.28299	0.4
67.04645	0.5
67.05474	1.1
67.59341	0.5
81.03383	0.7
81.07046	0.8
83.08611	0.7
91.05398	0.7
94.96106	0.4
95.08557	1.0
96.08889	0.5
97.06499	0.5
99.76929	0.4
101.98647	0.5
107.04925	1.3
109.06490	0.5
109.10089	0.9
121.02850	6.2
123.11663	1.2
123.79048	0.6
125.05902	0.6
131.08524	0.6
133.10048	0.7
147.08055	1.2
161.05911	1.2
183.11678	1.0
197.05902	0.7
225.05367	2.9
225.08974	1.1
229.08363	3.7
242.05698	0.6
253.08508	2.5
257.07858	0.8
270.05151	15.0
285.07474	100.0
285.18298	2.6
285.22037	6.5
285.29584	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	285.0753
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
55.05489	0.4
62.07111	0.4
67.05476	0.7
69.07053	0.8
79.05472	0.8
81.07034	2.8
83.08582	0.5
90.97418	0.4
91.05452	0.9
93.07018	0.9
95.08571	3.4
105.07009	2.3
107.08595	1.0
109.10145	2.0
113.46066	0.5
116.94476	0.6
119.08546	2.1
121.06356	0.7
121.10098	1.2
123.11668	0.7
131.08514	1.1
133.10091	2.1
141.85374	0.5
143.08554	0.7
145.10121	0.8
147.11685	0.7
157.10077	1.3
159.11664	0.9
167.03349	1.1
167.97191	0.5
171.11679	0.7
197.13179	0.9
221.05846	0.8
225.09087	1.1
225.16280	0.7
227.17879	0.8
239.17822	0.7
242.05666	0.9
253.08543	4.2
267.20984	2.8
270.05246	3.9
273.82184	0.5
285.07516	100.0
285.18356	2.7
285.22058	8.4
285.29681	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	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	8.0
56.12701	2.6
57.03417	20.4
67.05499	27.8
69.03411	3.4
69.07049	14.7
69.21420	3.2
71.04979	6.1
79.05473	20.8
81.03399	100.0
81.07034	47.2
83.04957	7.6
83.08609	41.0
85.02876	43.5
86.04546	3.3
87.58891	3.9
91.05462	21.3
93.06995	28.6
95.04951	33.3
95.08570	38.3
97.06498	14.0
97.10155	6.6
105.06979	35.0
107.04977	4.5
107.08588	31.6
109.06469	16.0
109.10126	19.5
111.08052	21.5
113.05972	7.7
117.06962	6.3
119.08540	42.7
121.06425	4.0
121.10105	21.2
123.11610	11.9
125.09612	4.1
129.06967	7.5
131.08533	27.1
133.10097	28.1
135.07994	4.0
137.09608	5.6
143.08508	5.3
144.45134	3.8
145.10052	26.9
147.08020	4.6
147.11653	40.7
149.09573	12.9
155.08487	7.9
157.10060	25.2
159.11685	14.9
161.05971	13.3
161.09598	3.2
161.13237	13.6
165.12779	5.0
171.11708	7.8
175.11165	24.1
175.14828	7.0
183.11636	12.7
185.13232	6.4
187.11050	3.5
187.14832	5.0
189.12700	5.1
193.06548	6.7
193.12183	77.3
197.13232	5.0
199.14815	7.9
201.16208	3.3
211.13242	40.9
211.14975	5.4
221.05939	20.1
225.09062	33.2
225.16354	4.1
227.17937	16.8
237.46242	3.8
241.19441	4.9
249.18391	4.7
253.08553	68.5
267.15881	7.1
267.21014	22.2
285.11453	29.7
285.16629	68.7
285.21848	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	285.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76943	1.4
55.05488	3.5
57.03422	7.8
57.07066	2.2
59.06111	1.5
60.61850	1.7
67.05479	6.8
69.03407	2.9
69.07053	4.6
71.04968	1.8
79.05479	11.6
81.02914	3.2
81.03403	100.0
81.07024	19.5
83.04946	4.2
83.08605	20.9
85.02868	1.9
91.05437	13.2
93.07020	12.4
95.04947	24.9
95.08581	14.1
97.02871	2.4
105.06998	14.4
107.04916	7.8
107.08582	7.5
109.06525	2.7
109.10149	9.4
111.08058	8.9
119.08527	15.5
121.06490	2.2
121.10113	10.1
125.30466	1.9
129.06979	8.8
131.08537	10.6
133.10115	9.2
137.09492	2.3
145.10081	3.1
147.08012	3.3
147.11682	11.5
149.09604	8.3
157.10123	14.6
159.11659	3.9
173.13179	2.1
175.11079	10.5
175.14784	8.2
187.14723	2.1
193.12199	57.4
193.15863	3.2
211.13252	4.3
267.15909	17.0
285.16895	4.4
285.22079	18.4
285.33276	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	285.17
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06235	2.7
57.07070	6.7
59.06112	16.3
69.07056	14.5
77.00611	5.0
81.07052	18.2
83.08618	14.6
86.11136	3.2
91.05482	4.5
91.35206	3.4
93.07056	6.1
95.08607	21.0
97.10142	4.3
107.08558	7.4
109.10100	24.9
118.05414	3.9
119.08530	5.0
121.10140	7.5
123.11705	15.8
133.10187	6.3
135.11713	3.5
142.99590	3.7
145.10114	3.7
147.11580	3.8
153.00278	4.6
155.01921	5.6
155.08452	4.1
157.10100	3.7
167.06287	3.4
171.01360	36.2
177.12749	6.4
185.13173	4.7
215.14209	3.9
235.70178	3.6
237.09723	4.3
241.34494	3.8
267.21039	8.4
285.18860	5.4
285.22263	100.0
285.33456	23.0
303.18164	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	285.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.2
55.05511	8.8
56.96567	4.4
57.03428	24.4
57.07066	54.5
59.06112	1.4
60.25561	0.9
67.05489	13.0
69.07052	15.5
69.85863	1.1
71.04990	1.9
71.08241	2.2
71.08616	42.6
74.90345	1.1
81.07038	24.9
81.07477	1.8
83.08605	10.4
85.06507	1.4
85.10165	26.3
89.06030	2.7
91.05488	1.8
93.07042	6.1
95.08588	31.7
97.06512	1.8
97.10168	7.1
98.97578	1.2
99.08099	1.8
103.07571	2.4
105.07024	2.6
107.08595	7.1
109.10128	13.4
111.11711	1.7
116.98534	1.3
119.08562	6.2
121.10133	4.4
123.11712	6.2
131.08597	5.3
133.10138	5.1
135.11678	4.5
137.13242	2.0
143.08571	2.5
144.06998	1.1
145.10159	6.6
147.11703	6.9
149.01242	2.7
155.08568	2.0
157.10185	1.8
159.11711	2.4
161.13264	1.4
169.10081	4.2
171.11705	2.8
173.13232	2.3
175.56821	1.1
183.11703	4.0
185.13257	2.3
187.14687	1.1
193.06671	1.3
197.13245	9.2
199.14807	1.1
202.34737	1.1
211.20634	4.9
213.16339	5.7
221.06114	1.3
225.09146	2.1
225.16370	1.2
229.19521	1.7
229.21680	5.9
239.02286	1.8
239.18001	1.7
253.08629	7.0
257.03268	2.2
257.22556	4.1
267.21072	7.6
285.13528	6.8
285.18475	5.6
285.24307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2205
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
55.05506	3.8
57.07050	1.9
67.05476	2.1
69.07039	7.5
69.49771	1.4
81.07056	14.8
83.08581	3.9
93.07047	3.8
95.08583	15.7
97.10120	2.2
105.07008	10.4
107.08578	15.7
109.10124	20.0
119.08547	30.7
121.10087	6.6
123.07973	1.7
123.11695	7.8
131.08551	3.6
133.10098	9.6
135.11676	2.0
143.08470	1.6
145.10091	6.3
147.11664	1.8
149.13237	3.2
151.11177	3.0
157.10034	3.1
159.11638	9.0
161.13210	3.3
163.11151	7.6
169.10065	6.7
171.11639	3.5
173.13158	3.8
175.14755	1.8
177.12688	3.7
183.11627	2.1
185.13245	1.9
187.14824	2.4
197.13208	6.4
199.14755	6.0
201.16367	2.5
211.14861	1.9
213.16368	2.1
215.14349	1.8
226.00551	1.6
227.17836	1.8
229.15804	2.7
239.17805	8.6
243.17436	2.1
257.18878	3.5
267.21063	15.4
285.22098	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	285.2207
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
52.32924	1.4
52.61798	1.4
55.05494	7.3
57.03428	15.1
57.06805	2.6
57.07070	56.4
58.10606	1.6
66.10130	1.7
67.05479	11.2
67.62251	1.6
69.07056	22.9
71.08620	41.2
74.93088	2.2
79.05470	3.2
81.07042	26.5
83.08618	8.0
85.06527	1.9
85.10162	20.6
85.67016	1.9
91.05470	3.3
93.07013	12.8
95.08588	48.1
97.10158	7.0
99.08102	2.2
101.49413	1.7
104.58782	1.6
105.07013	9.4
107.08584	17.6
109.10130	34.8
111.08047	2.0
117.06954	2.5
119.08565	17.4
121.10093	19.4
121.89876	2.1
123.11671	15.0
131.08539	13.1
133.10085	24.2
135.08031	2.1
135.11676	12.9
137.13208	1.9
143.08530	7.2
145.10085	22.2
147.11671	17.1
149.13228	7.6
155.08546	2.8
157.10083	11.3
159.11670	21.9
161.13248	8.4
163.11125	3.3
163.14732	2.1
169.10149	3.6
171.11707	14.9
173.13219	13.0
175.11090	2.5
175.14748	4.3
177.12639	2.3
183.11722	4.3
185.13252	4.0
187.14784	6.9
191.14333	2.4
197.13292	7.7
199.14798	9.1
201.12711	3.2
201.16389	9.4
211.14793	9.9
211.20621	2.2
215.17761	1.8
225.16350	9.7
227.17952	7.6
229.15811	3.8
241.19519	3.5
243.21127	4.0
246.10791	1.9
253.08507	2.3
255.21048	3.4
257.22675	16.8
267.21002	27.3
285.21939	78.7
285.24283	100.0
309.38385	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	285.2204
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
55.05499	2.3
57.07069	2.1
67.05477	2.4
69.07050	11.7
72.81147	1.0
77.73640	0.9
79.05441	1.8
81.07039	16.0
83.08597	8.8
88.69569	1.0
91.05470	3.9
93.07005	8.4
95.08593	20.7
97.10135	4.1
105.07009	7.5
107.04964	1.0
107.08572	9.5
109.06472	1.4
109.10117	12.5
115.80423	1.0
117.06930	1.4
119.08553	12.4
121.10100	10.0
121.52361	1.0
123.11664	6.1
125.13177	1.4
131.08536	5.8
132.05641	1.4
133.10085	6.5
135.08032	11.4
137.13260	2.1
145.10088	4.3
147.08012	90.4
147.11681	2.5
148.97614	1.2
149.13181	1.8
157.10060	2.3
159.11662	4.0
160.29785	1.0
161.09576	5.6
161.13185	1.9
163.14792	1.7
169.10085	1.5
171.11620	4.6
173.09589	4.9
173.13162	4.9
175.11162	1.3
175.14812	1.8
177.16295	4.8
183.11671	4.5
185.13222	1.6
187.11127	4.1
187.14795	1.3
189.12668	2.2
197.13187	4.0
199.14751	1.4
201.12712	4.7
203.14305	2.5
211.14809	2.2
215.14246	5.0
217.15903	1.1
227.18018	1.2
229.15768	3.9
239.17880	1.3
257.22577	1.8
267.20987	10.5
277.23135	1.1
285.22079	100.0
285.33344	2.2
291.91388	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	285.2207
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
52.22152	0.9
55.05489	5.1
57.07071	1.6
66.17393	1.0
67.05478	6.8
69.03415	1.0
69.07042	6.3
71.08611	1.5
79.05479	1.6
81.07042	14.9
83.04955	5.5
83.08587	5.0
91.05454	2.7
93.07043	12.1
95.08588	17.1
97.10146	4.9
105.07022	19.9
107.08566	15.6
109.06525	8.0
109.10153	10.0
111.08072	11.0
119.08558	11.7
121.10126	29.7
123.08038	1.2
123.11680	26.6
125.09657	1.8
131.08537	7.2
133.10112	45.6
135.11658	13.5
137.09604	24.2
139.11183	1.3
143.08517	2.0
145.10097	5.9
147.08022	1.5
147.11647	15.0
149.09592	47.6
149.13240	11.4
151.11215	2.0
157.10071	2.0
159.11627	5.7
161.09560	2.3
161.13211	7.4
162.35411	1.1
163.11079	4.9
165.12743	2.1
169.10039	5.0
171.11636	5.0
173.09628	1.5
173.13194	6.4
175.11060	5.1
175.14790	41.2
177.12717	2.4
180.61868	1.3
181.97002	1.2
183.11612	5.5
185.13185	2.6
187.11288	1.4
187.14769	6.2
189.12695	5.0
191.14333	1.8
197.13167	7.5
199.14767	1.3
201.12708	5.3
211.14760	5.5
214.49771	1.2
215.14246	4.7
215.17990	1.4
225.16367	7.2
227.17969	2.3
229.15825	4.6
237.16205	1.4
238.17105	1.4
253.08490	2.1
257.22574	6.2
267.21039	18.1
285.18781	4.1
285.22052	100.0
302.25638	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	285.2208
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.35430	0.7
55.05492	5.7
55.41539	0.8
56.26459	0.8
57.07051	4.2
60.57837	0.8
62.79914	0.8
67.05489	8.2
69.03408	0.9
69.07051	12.5
71.04964	0.9
79.05479	7.6
81.06573	1.3
81.07043	34.0
83.04971	1.4
83.08592	6.0
91.05459	7.1
93.07022	24.1
95.04940	2.2
95.08582	25.4
97.10179	1.4
105.07011	20.4
107.08572	20.7
109.06512	2.4
109.10140	22.1
111.08070	2.1
117.06991	4.1
119.08554	18.9
121.06490	2.3
121.10122	19.0
123.08025	1.7
123.11676	23.8
129.06950	4.0
131.08543	18.2
133.05267	0.9
133.10097	17.8
135.08029	3.7
135.11656	14.6
137.09584	1.3
137.13205	3.5
143.08563	9.8
145.10092	21.0
147.08005	4.5
147.11679	12.9
149.09583	8.5
149.13205	6.5
151.10992	1.2
155.08469	4.5
156.60786	1.0
157.10106	12.4
159.11653	17.1
161.09579	4.1
161.13214	9.4
163.11115	2.0
163.14745	5.9
169.10083	10.9
171.11668	9.6
173.09583	4.2
173.13191	11.9
175.11198	1.8
175.14771	4.6
177.12701	1.8
177.16283	1.3
182.10933	1.1
183.11661	10.5
185.13231	10.5
187.11125	3.9
187.14801	6.9
189.12823	1.1
189.16331	3.9
191.14316	1.6
196.12413	1.0
197.13219	11.9
199.14760	6.8
201.12679	3.7
201.16380	8.2
202.03705	1.0
203.14240	1.5
203.18007	1.4
205.15909	1.5
211.14804	13.7
213.16267	2.1
215.14174	4.6
221.05876	1.3
224.15506	1.4
225.08925	1.7
225.16254	10.9
227.17915	5.0
229.15816	6.5
239.17871	3.8
241.19470	4.3
241.78963	1.2
243.17445	1.3
243.20934	1.3
253.08542	5.7
257.19315	1.0
257.22504	9.7
267.21033	27.3
285.18860	3.6
285.22052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
52.63768	1.6
54.24963	1.5
55.05495	8.4
57.03431	2.0
57.07054	7.5
58.95282	1.5
59.06106	3.2
67.05508	14.8
68.62364	1.3
69.07047	10.0
71.08623	2.0
79.05472	6.3
81.07049	16.2
83.04961	1.7
83.08593	7.1
91.05497	4.0
91.70695	1.5
93.07033	12.6
95.08596	44.5
97.10121	7.9
105.07034	27.5
107.08630	13.3
109.10158	23.6
111.08073	2.4
119.08578	15.6
121.10117	10.1
123.11669	3.2
126.87783	1.6
130.09039	1.8
131.08551	16.3
133.10126	16.5
135.11635	6.9
143.08528	6.9
145.10118	16.6
147.11665	9.8
149.09586	2.1
149.13249	1.8
151.11148	2.1
155.08479	3.2
157.10098	8.2
159.11665	15.0
161.13199	8.7
163.11162	2.8
168.95738	3.8
169.10115	3.8
171.11641	7.0
173.13219	17.1
175.14781	3.0
177.12700	2.3
183.11649	7.1
184.85660	1.7
185.13185	11.6
186.96797	22.2
189.12769	3.8
197.13258	3.3
199.14697	3.6
201.16362	1.9
204.97810	8.1
211.14758	6.3
224.98337	2.2
225.16289	2.2
227.17949	2.6
229.15897	2.4
239.17796	14.9
242.99249	2.7
244.17972	2.6
250.18980	1.9
253.08524	2.3
257.22729	4.9
267.21072	39.7
285.22049	100.0
285.33533	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	285.2207
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
52.70095	1.4
55.05493	1.8
67.05476	10.0
69.07040	7.4
79.05471	2.7
81.06593	1.7
81.07044	39.0
83.04931	1.6
83.08606	2.4
91.05463	12.7
93.07023	14.3
95.08593	29.1
97.10127	2.1
105.07015	34.6
107.08576	23.8
109.06509	1.9
109.10143	35.3
111.08071	2.4
111.11600	1.4
117.06945	6.7
119.08554	21.1
121.10112	16.8
123.08031	2.3
123.11698	15.8
131.08516	13.6
133.10114	36.6
135.07993	8.6
135.11647	13.1
137.09593	3.0
141.07065	1.6
141.68402	1.6
143.08511	9.6
145.10121	19.5
147.08005	3.4
147.11647	16.4
149.09583	1.7
149.13184	12.6
155.08493	1.9
157.10103	12.2
159.11696	17.1
161.09528	2.5
161.13257	14.3
163.11113	2.8
163.14764	3.2
169.10052	8.2
171.11696	13.0
173.13199	14.6
175.14763	7.6
177.12695	15.5
183.11655	12.4
185.13219	9.0
187.14729	8.8
189.12747	6.3
189.16324	1.9
197.13216	12.6
199.14738	11.4
201.16376	14.5
211.14771	8.4
215.17989	2.1
225.16354	11.6
227.17867	7.4
229.15807	6.9
239.17957	11.7
241.19455	2.8
243.17365	2.8
257.18881	1.8
257.19608	1.8
257.22626	40.7
267.21017	33.4
285.18466	16.9
285.22021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2208
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.97129	1.2
51.51954	1.1
53.97408	1.3
55.05489	3.5
57.07051	7.7
66.48409	1.3
67.05482	6.8
69.03394	2.2
69.07054	15.7
69.10887	1.3
70.11193	1.3
70.22211	1.5
71.08588	2.5
74.41708	1.4
79.05444	3.4
81.07045	30.1
83.04951	13.7
83.08592	6.4
85.06527	1.8
91.05450	7.0
93.07027	17.6
95.04913	2.0
95.08588	25.5
97.06512	3.0
97.10152	2.2
105.07003	16.6
107.08580	36.3
109.06506	2.3
109.10136	19.7
111.08028	2.7
115.76601	1.6
119.08553	16.6
121.06463	2.1
121.10125	30.3
123.08012	3.3
123.11677	51.1
131.08545	3.9
133.10112	21.0
135.07994	3.4
135.11681	11.4
137.09598	2.4
137.13281	2.0
139.11131	8.3
143.08522	2.7
145.10097	25.7
147.08011	10.6
147.11632	11.8
149.09583	6.5
149.13220	3.8
157.10083	11.9
159.11642	18.8
161.09567	16.7
161.13202	6.9
163.11127	14.8
163.14636	2.2
165.12744	3.3
169.10048	3.0
171.11617	7.2
173.09608	3.0
173.13208	6.8
174.31059	1.7
175.11136	3.4
175.14749	7.2
177.12675	7.6
183.11650	4.0
185.13173	9.1
186.96782	2.6
187.11165	2.7
187.14746	19.0
189.12680	2.9
189.16223	3.3
197.13199	3.1
199.14726	7.2
201.12769	3.9
201.16328	3.5
211.14728	10.2
214.21747	1.8
215.14156	3.3
219.55550	1.8
225.16425	5.9
227.17847	3.1
229.15749	3.4
241.19530	2.1
243.17575	1.6
243.20889	3.6
257.22452	7.0
267.20999	17.3
285.21997	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	285.2207
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05493	2.3
57.07061	2.2
67.05482	2.7
69.07059	8.6
73.24779	0.5
75.74418	0.4
79.05479	0.9
81.07049	8.0
83.08597	3.0
85.06554	0.6
91.05467	2.5
93.07014	3.3
95.08590	11.1
97.10170	0.5
105.07007	3.3
107.08614	4.0
108.26784	0.5
109.06464	0.7
109.10143	4.9
117.07030	0.6
119.08564	6.8
121.10135	3.8
123.08088	0.6
123.11659	4.1
125.13187	2.1
129.07016	0.7
130.81422	0.5
131.08516	2.1
132.05699	0.9
133.10124	3.9
135.08009	4.3
135.11659	2.6
137.13188	1.1
143.08563	1.0
145.10098	3.7
146.07256	0.5
147.08025	83.4
147.11650	2.3
147.82584	0.5
149.09544	0.7
149.13226	0.9
151.14815	0.9
155.08571	0.5
157.10098	1.3
159.11671	1.9
161.09641	3.9
161.13220	1.1
163.14871	0.6
168.95747	0.8
169.10048	0.9
171.11638	2.1
173.09604	1.0
173.13248	2.3
175.11174	1.2
175.14842	0.7
177.12735	1.2
177.16354	2.8
183.11627	2.9
185.13208	2.0
186.96796	1.2
187.11116	2.4
187.14723	0.9
189.12695	2.6
193.49974	0.6
197.13170	2.5
199.14792	0.7
201.12708	2.7
201.16382	0.6
203.14296	0.6
211.14738	2.9
215.14238	1.1
225.16327	2.5
227.17816	1.0
229.15800	1.1
239.17871	1.0
249.23338	0.5
267.21014	13.2
285.22064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2204
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05484	6.0
57.07088	1.3
59.40421	1.2
63.72091	1.3
67.05473	6.2
69.07037	3.2
71.09651	1.2
79.05456	1.7
81.07021	8.9
83.08589	2.3
91.05447	3.0
92.17400	1.7
93.07018	15.5
95.08568	16.1
105.07030	11.7
107.08577	13.5
109.10135	19.9
111.08051	1.6
119.08546	19.3
121.10121	29.5
123.07984	1.4
123.11639	7.3
125.09589	6.7
131.08559	15.7
133.10085	14.3
135.07986	1.7
135.11633	6.9
137.09554	1.7
143.08528	5.5
145.10107	12.2
147.11638	15.6
149.09587	1.6
149.13205	2.0
151.11052	2.1
155.08438	2.0
157.10065	8.9
159.11575	11.7
161.13188	8.5
163.11092	11.8
169.10068	1.8
171.11603	12.2
173.13217	10.3
175.14801	1.9
177.12689	8.2
183.11621	5.5
185.13184	6.4
187.14755	6.8
189.12660	2.7
191.14178	1.9
197.13200	8.3
199.14771	10.3
201.16309	2.7
203.14229	1.9
211.14706	5.9
212.33263	1.4
213.16357	2.9
215.14200	5.0
227.17949	2.7
229.15762	8.0
241.19460	2.2
243.17377	2.9
243.21062	2.7
257.18860	2.1
257.22397	1.6
267.21024	12.4
278.16949	1.4
285.22025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.221
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05492	1.9
57.07069	1.1
59.04967	1.2
67.05489	5.7
69.07056	6.7
79.05493	8.8
81.07054	11.6
83.08591	1.5
91.05453	5.1
93.07024	11.0
95.08614	16.6
105.07030	15.7
107.08593	35.2
109.06451	1.7
109.10163	16.8
117.06998	1.9
119.08561	15.9
121.06485	1.7
121.10123	16.2
123.07992	1.7
123.11681	6.1
125.09597	6.7
129.06955	1.8
131.08548	19.6
133.10132	20.2
135.08000	1.6
135.11658	7.2
137.09602	2.8
139.11179	2.0
143.08572	10.7
145.10109	24.6
147.07979	1.7
147.11664	26.2
149.13254	2.2
155.08545	5.9
157.10147	15.3
159.11671	14.9
161.13286	11.8
161.95982	1.3
163.11140	1.7
165.12724	2.9
169.10094	9.2
170.10822	1.6
171.11693	16.9
173.13246	18.8
175.14796	1.8
177.12688	5.8
179.14317	2.0
182.10962	1.6
183.11690	11.8
185.13229	11.6
187.14781	8.5
189.12727	2.6
197.13257	12.2
199.14864	11.2
201.12727	2.1
201.16344	5.7
211.14861	14.7
213.16339	11.0
215.14325	5.3
224.15756	1.4
225.16374	11.2
226.17105	1.6
227.17972	9.1
229.15742	5.6
239.17914	7.4
241.19444	1.5
243.17429	2.2
253.08580	2.6
257.19040	1.8
257.22574	2.4
267.21069	39.3
285.18958	4.2
285.22101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2209
Annotation	Pisiferin
Peak:m/z	Relative Intensity
55.05504	2.8
57.07059	0.8
64.86169	0.5
68.31591	0.5
69.07043	3.3
81.07047	3.4
83.08611	6.7
95.08578	3.2
97.10114	0.5
109.10151	1.0
121.10090	1.0
123.11682	20.1
129.06979	0.9
131.08548	2.3
133.10092	0.5
141.07022	1.0
143.08534	2.0
145.10085	0.6
146.95314	0.5
147.08029	20.2
147.11705	0.6
155.08543	8.6
157.10104	2.1
159.11606	0.9
169.10132	4.2
171.11711	1.0
173.09543	0.6
173.13121	0.9
175.11156	0.8
183.11606	6.4
185.13252	1.2
189.12730	9.0
197.13225	15.9
199.14813	2.5
201.12700	3.3
211.14828	4.3
213.16322	0.5
217.15683	0.6
225.16312	5.1
243.17421	9.9
252.49969	0.6
266.17587	0.5
267.20938	2.3
285.22083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2207
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.00302	0.9
55.05505	8.3
57.03172	1.5
57.03432	26.2
57.07071	68.7
59.53939	1.1
67.05491	17.2
68.78046	1.0
69.07056	21.5
71.05013	1.3
71.08223	1.9
71.08617	49.7
79.00834	1.2
79.05473	2.7
79.43061	1.2
81.07049	24.6
83.08619	9.1
85.06499	1.5
85.10168	23.0
89.06017	4.8
90.28619	1.2
91.05491	1.6
92.64063	1.1
93.07029	9.9
94.78915	1.1
95.08591	43.7
96.70352	1.1
97.10143	8.3
98.10416	1.3
103.07570	2.6
105.07025	7.2
107.08560	9.6
108.70398	1.1
109.10134	21.7
111.08041	2.4
111.11669	2.3
119.08542	11.4
121.10108	17.2
123.11700	9.2
125.09605	4.7
131.08521	8.4
133.10117	11.0
135.07967	1.1
135.11674	7.8
137.13234	1.5
143.08565	2.4
145.10075	9.1
147.11649	13.3
149.09572	1.7
151.11063	1.5
155.08484	1.5
157.10112	2.1
159.11592	8.2
161.09576	1.2
161.13202	4.6
163.11150	4.9
163.51906	1.1
169.10118	1.8
171.11630	5.6
173.13249	7.7
175.11183	2.5
175.14742	2.6
177.12724	7.0
183.11681	5.9
185.13266	2.7
187.14819	5.5
188.26669	1.4
197.13202	5.8
199.14774	5.4
201.12732	1.8
201.16388	2.9
211.14827	5.6
211.20515	2.0
213.16331	1.5
215.14182	2.2
225.16338	2.3
227.17938	7.9
229.15810	1.9
229.19495	1.3
229.21550	5.8
231.82384	1.2
241.19498	1.8
243.17456	2.2
267.20969	11.8
285.18167	3.0
285.21921	32.6
285.24231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2208
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.00299	1.8
55.05502	9.5
55.18252	1.9
57.03432	26.5
57.07076	84.8
62.31653	1.7
63.75205	1.6
67.05498	24.0
69.07065	25.1
71.08623	58.0
79.05469	3.4
81.07057	36.6
83.08620	10.6
85.10172	30.9
89.06003	3.0
93.07029	15.2
95.05006	2.2
95.08596	49.3
95.46626	2.0
97.06524	1.9
97.10161	4.7
103.07578	2.6
105.07014	16.3
107.08562	14.0
109.10149	42.5
111.11721	2.9
112.42977	1.9
119.08562	16.4
121.10127	14.3
123.11675	12.7
124.11139	2.1
131.08549	4.2
133.10130	19.8
135.11679	15.4
137.13229	3.0
143.08508	2.4
145.10114	10.0
147.11671	9.7
149.09669	2.4
149.13211	3.8
157.10110	7.6
159.11688	8.8
161.09543	2.3
161.13222	10.9
163.11165	3.0
163.14812	3.4
169.10045	3.2
171.11674	3.7
173.13272	6.8
175.11124	2.4
175.14799	7.2
183.11699	2.0
185.13290	3.1
187.14867	2.5
192.51451	1.8
197.13322	2.7
198.68968	2.2
199.14923	3.1
201.16371	8.7
211.14885	3.2
211.20537	4.2
227.17882	2.5
229.21545	3.1
239.17900	2.9
257.22559	23.0
267.20996	15.1
285.18292	7.7
285.21906	41.5
285.24246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2204
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05506	4.5
57.07069	8.2
59.41637	1.9
62.08018	2.1
65.02190	1.8
67.05489	7.9
69.07056	10.8
71.08622	3.6
75.00167	2.1
79.05455	3.3
81.07051	20.9
83.08599	15.6
93.07024	8.5
95.08591	27.0
97.06483	2.4
97.10130	9.0
105.07022	13.2
107.08597	21.3
109.10152	26.8
111.11653	4.2
119.08554	11.5
121.10133	17.6
123.11702	10.9
131.08546	4.6
133.10146	16.5
135.11642	4.0
137.13281	3.1
141.89342	2.2
143.08537	8.6
145.10100	17.9
147.08032	5.2
147.11627	10.8
149.13293	3.7
157.10115	3.7
159.11691	13.1
161.09619	2.7
161.13278	4.7
171.11659	9.2
173.13242	13.8
175.14891	3.6
177.12723	8.2
183.11685	4.3
185.13251	4.2
187.14856	8.1
197.13234	8.2
211.14737	9.0
213.16364	2.7
215.14381	2.7
217.20216	2.1
239.17796	2.2
267.20987	18.0
285.18768	4.9
285.22198	100.0
285.29886	4.9
285.33554	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	285.2421
Annotation	Alseodafuranone
Peak:m/z	Relative Intensity
50.99519	1.4
55.05508	4.3
56.64853	1.4
57.03439	25.1
57.07076	64.4
59.06124	2.4
64.98129	1.8
65.53283	1.9
67.05495	13.1
69.07061	15.2
71.08624	44.6
79.05509	2.1
79.92547	1.6
81.07053	25.7
83.08601	8.2
85.06541	3.3
85.10165	19.4
89.05999	3.1
90.05960	1.6
93.07067	1.7
95.08598	32.0
97.10155	9.4
105.07039	2.7
107.08585	4.0
109.10159	17.0
111.11695	2.5
118.26485	1.9
119.08561	7.0
121.10138	7.3
121.35648	1.7
123.11698	4.4
128.26659	1.9
133.10110	13.5
135.11714	3.0
135.38327	1.7
141.87726	2.1
145.50778	1.9
147.11656	4.2
149.13235	3.3
163.14819	2.1
173.13220	3.4
211.20541	2.2
257.22635	12.3
267.21112	3.1
285.18536	5.4
285.24481	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	286.0917
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
50.31340	0.2
50.63152	0.3
59.14316	0.3
59.82876	0.3
62.91751	0.3
69.03413	1.7
70.06577	0.6
72.08127	0.4
73.02917	0.4
78.03397	0.5
80.05020	0.4
81.03406	1.1
85.02892	3.0
90.94799	0.3
92.16762	0.3
96.04469	0.5
97.02872	1.3
99.04427	0.6
106.02901	15.5
109.02870	2.2
116.07059	1.4
116.76533	0.3
123.32763	0.3
124.03928	100.0
127.03880	1.4
143.11714	0.4
172.97667	0.3
196.38670	0.3
250.07132	3.2
268.08130	2.5
286.09152	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	286.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56310	2.7
55.05508	25.7
57.07078	30.6
57.39161	3.1
58.34795	4.0
67.05500	5.8
69.07062	100.0
69.52370	3.3
71.08623	21.0
72.04511	36.6
81.07056	9.0
83.08607	67.4
85.10171	16.1
95.08591	5.6
97.10157	79.9
109.10148	5.3
111.11703	29.1
115.92320	3.6
116.96378	5.5
125.13216	4.6
135.11673	5.1
164.98439	20.0
204.09749	6.0
240.26741	43.5
268.26288	96.4
268.29037	5.7
286.27512	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	287.1997
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
53.31469	1.4
55.05491	2.8
57.03410	1.4
57.12077	1.5
57.67867	1.5
65.96530	1.6
67.05482	9.9
69.07050	7.9
69.11625	1.5
71.00043	1.5
79.05466	8.6
81.07034	32.1
83.08572	3.7
85.06515	1.9
91.05457	6.9
93.07011	17.3
95.08587	32.6
97.06503	3.9
97.10133	2.2
105.07003	31.4
107.08573	28.4
109.06495	3.4
109.10134	28.6
111.08056	7.1
111.11700	2.3
113.05959	18.4
117.06982	3.4
119.08532	27.1
121.06498	1.8
121.10129	15.4
123.11678	8.9
125.09603	2.7
129.06985	2.2
131.08543	14.7
133.06465	1.8
133.10117	21.2
135.07986	2.1
135.11659	11.0
137.05978	3.3
137.09604	1.8
138.52953	2.0
142.48424	1.9
143.08514	8.5
145.10085	17.2
147.07953	2.7
147.11646	23.9
149.13145	11.8
150.68935	2.0
151.07474	2.9
157.10062	17.9
159.11621	16.7
161.09608	2.6
161.13193	27.3
163.14742	2.8
165.12697	6.7
169.10007	2.4
171.11658	13.2
173.13179	23.1
175.14760	29.9
179.14262	31.9
184.07294	2.0
185.13222	9.9
187.11111	2.7
187.14856	14.0
189.12721	3.0
189.16307	3.5
191.14279	11.6
193.15784	2.2
199.11104	1.8
199.14772	11.2
201.16376	2.7
209.13089	2.1
213.12666	12.1
213.16341	10.1
217.15883	8.4
227.17931	7.8
229.19345	4.2
241.19429	9.9
251.17938	1.9
257.22678	2.1
266.63834	3.6
269.19217	22.0
269.22476	29.2
287.20013	100.0
287.23624	82.9
287.26852	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	287.1999
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
50.12142	1.8
55.05509	8.1
56.81840	1.9
67.05491	2.8
69.07053	13.0
81.03396	10.9
81.07047	17.2
83.08593	4.3
84.12508	2.0
93.07015	17.5
95.08572	20.7
97.06572	3.6
97.10133	2.6
97.87274	2.2
103.63094	2.4
105.07018	15.2
107.08553	20.6
108.03598	2.0
109.06525	3.0
109.10145	14.6
111.08078	2.7
119.08551	34.4
121.10152	16.8
123.11705	11.9
131.08519	20.3
133.10068	17.1
135.08038	5.2
135.11682	28.4
137.13206	2.9
138.52936	3.5
143.08490	5.4
145.10136	15.8
147.08044	14.7
147.11658	11.1
149.13242	9.0
151.11200	3.5
157.10088	9.9
159.11658	15.3
161.13188	39.0
171.11653	9.1
173.09566	3.4
173.13200	11.2
175.14790	10.8
177.12730	3.0
185.13243	9.2
187.14799	10.9
199.11237	2.9
199.14775	12.6
201.16330	3.3
213.16354	10.5
227.18019	7.1
229.14116	4.5
241.19559	5.0
251.18080	2.4
269.19052	20.7
269.22604	40.3
287.20004	100.0
287.23505	40.8
297.82678	2.5
308.92297	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	287.2001
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
55.05513	5.2
56.96553	4.5
58.76043	3.9
67.05508	4.1
68.56141	3.3
69.07030	3.4
76.37633	4.0
81.07030	8.0
93.07030	6.3
93.79782	3.8
95.08598	14.7
97.06522	6.9
98.93614	4.1
103.05444	5.9
105.07018	8.0
107.08574	8.9
119.08536	8.0
121.06450	5.3
123.55019	3.6
131.08553	5.8
131.36778	3.8
133.10086	6.1
142.04694	4.4
145.10133	18.1
147.04395	26.5
147.08002	8.7
147.11656	5.0
157.10165	4.7
159.11670	5.3
161.09569	7.7
211.14638	4.3
223.00404	5.6
227.05830	5.3
239.76364	4.1
245.06941	19.6
246.07291	6.5
252.60503	4.2
269.18903	24.5
287.11407	6.1
287.14502	16.9
287.19955	100.0
287.23221	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	287.2003
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
52.67269	1.1
54.68999	1.4
55.05503	2.3
55.29038	1.3
57.88405	1.2
60.04526	17.2
67.05489	2.8
69.07044	6.3
70.34494	1.1
78.51449	1.7
79.05474	2.0
81.07055	18.6
83.08594	1.9
93.07021	8.9
95.05002	1.6
95.08604	15.4
105.07023	5.7
107.08600	12.3
109.06523	8.0
109.10186	10.0
117.07042	2.1
119.08565	7.8
121.06474	2.1
121.10122	2.9
123.08146	1.7
123.11725	2.4
125.17603	1.4
129.07037	1.5
132.13020	1.2
133.06473	1.6
133.10123	5.5
135.08044	2.6
135.11671	5.6
137.05978	7.9
143.08653	4.6
145.10103	2.7
147.08018	6.6
147.11687	2.4
149.09641	2.1
151.07555	6.6
157.06419	1.6
157.10118	8.2
159.11671	4.9
161.09587	2.9
161.13188	3.0
162.46591	1.5
169.08627	2.9
171.08002	6.1
171.11649	3.2
173.13100	1.4
175.11208	2.6
175.14793	2.4
185.09575	7.0
185.13187	5.9
187.11171	11.0
198.10384	2.7
198.22194	2.3
199.11208	7.1
199.14865	1.9
201.12843	1.9
209.13347	1.9
211.11227	2.5
213.10841	2.6
213.12741	49.4
225.12753	1.6
226.13504	2.3
227.14308	20.0
227.17830	2.9
228.23228	13.8
240.15111	6.8
241.15767	2.4
241.19568	3.0
246.24257	18.4
251.18054	2.2
269.18951	52.8
273.20126	1.3
287.20041	100.0
287.23367	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2004
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
54.56944	2.9
55.05499	3.2
61.61962	3.2
67.05496	4.9
69.07073	4.3
81.07047	15.5
83.08608	5.2
88.01721	3.3
91.05454	3.2
93.07033	19.4
95.08598	21.5
97.10159	4.7
99.08043	3.3
105.07037	19.9
107.08582	30.5
109.06515	19.3
109.10125	14.1
111.08099	3.8
119.08566	19.6
120.05681	3.1
121.06458	7.3
121.10127	13.1
123.08110	4.5
123.11680	14.3
129.06961	4.1
131.08572	16.6
133.06551	12.9
133.10110	33.5
135.08096	4.3
135.11671	13.2
143.08519	7.0
145.10110	7.4
147.11705	8.4
149.09557	3.2
149.13246	7.6
151.07533	14.2
153.85452	3.8
157.10103	16.8
159.11693	20.4
161.13292	5.1
169.10036	4.7
171.11722	7.8
173.09648	4.4
173.13274	13.1
175.14835	20.2
183.11745	6.7
185.13257	7.0
187.11075	5.0
187.14659	4.5
195.11801	4.7
199.14761	5.7
211.19843	3.4
227.14369	5.2
227.17944	6.2
241.15921	4.2
241.19438	8.3
257.08298	3.5
269.18991	25.2
287.16678	6.7
287.20013	100.0
287.23148	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	287.2002
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
55.05490	1.4
56.80840	0.7
65.79343	0.8
67.05502	8.9
69.07053	3.5
71.04929	0.7
79.05476	1.1
79.98712	0.8
81.07057	12.6
85.71435	0.7
91.05387	0.8
93.07022	5.5
95.04945	1.3
95.08597	6.5
97.06509	4.7
105.07014	3.2
107.08570	7.6
109.10133	7.1
111.08037	5.9
119.08566	4.0
121.06487	4.3
121.10120	5.8
123.08063	0.9
123.11668	3.0
125.09590	2.9
131.08562	3.4
133.10115	4.9
135.07993	0.8
135.11681	1.5
137.09583	1.0
139.11172	1.8
143.08540	3.7
145.10117	5.0
147.07977	2.6
147.11678	1.9
149.09631	1.9
157.10107	4.7
159.11655	4.2
161.09589	5.4
163.11198	4.3
169.10068	1.9
171.11673	4.6
173.09673	2.7
173.13191	0.9
175.11172	1.6
183.11655	1.1
185.13237	1.8
187.11096	7.3
189.12721	1.1
195.11722	1.0
197.13264	1.1
199.11145	1.4
199.14810	1.5
201.12610	1.1
209.13002	1.3
211.14749	1.8
213.12694	8.0
222.09033	0.9
227.14297	2.0
227.17947	3.7
228.15019	14.6
229.15918	3.8
251.20020	1.9
257.18890	1.3
269.19058	7.9
287.20023	100.0
287.23505	6.9
299.68454	1.0
305.12936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2002
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
55.05509	2.1
57.07077	2.1
67.05511	11.2
69.07065	2.9
69.83900	1.4
71.04985	2.8
79.05466	2.7
81.07059	23.4
85.06543	3.7
91.05478	3.6
93.07027	9.8
95.04942	17.4
95.08606	18.4
97.06519	17.3
105.07036	16.1
107.08587	16.1
109.10145	11.3
111.08056	11.5
113.05986	10.6
117.07016	7.1
119.08585	12.6
121.06478	11.1
121.10131	10.8
123.08078	9.2
123.11681	3.1
129.06990	8.4
131.08568	20.0
133.10159	12.7
134.52725	1.6
135.08038	2.2
135.11703	7.8
137.05988	3.3
143.08545	15.3
145.10117	19.3
147.08028	9.9
147.11679	8.3
149.09618	2.2
149.13254	3.1
155.08595	2.3
157.10123	16.2
159.08054	2.7
159.11693	15.6
161.09621	13.0
161.13269	7.0
163.11194	3.5
167.08624	2.2
169.10143	8.8
171.11719	6.9
173.09622	10.6
173.13289	14.3
175.11177	3.2
175.14806	7.9
177.12712	2.3
183.11710	13.6
185.13243	26.0
187.11195	3.7
187.14850	3.5
188.11914	6.1
189.12749	1.7
195.11716	7.6
197.13194	6.1
199.11215	6.9
199.14832	6.3
201.12776	7.3
205.12445	1.6
209.13239	6.1
211.14864	2.3
213.12810	12.2
213.16356	3.4
215.14278	2.0
215.18030	2.2
225.16325	2.4
227.14284	2.5
227.17944	6.9
229.71764	1.6
239.17899	2.6
241.15857	3.9
241.19508	12.9
251.17935	7.9
256.18292	9.5
257.18964	25.7
259.20621	2.0
269.19012	48.7
269.22672	8.0
287.20071	100.0
287.23679	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	287.2213
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
55.05503	28.4
55.24889	3.6
57.07080	4.0
57.83147	2.8
62.20770	2.8
66.15762	2.6
67.05502	56.1
69.07054	20.6
69.76292	3.3
71.04976	4.8
74.29377	3.2
76.45987	2.8
79.05479	28.1
81.06566	3.9
81.07050	95.5
81.96222	3.1
83.04964	3.0
83.08611	16.9
83.45505	3.1
85.06548	4.6
88.50580	3.2
91.05483	6.2
93.07021	27.9
95.04967	4.8
95.08606	92.5
97.06532	7.6
97.10158	41.0
99.08108	4.2
105.07050	12.9
107.08584	37.6
109.10153	89.9
111.08105	7.1
117.07020	3.9
119.08572	13.0
121.10130	32.1
123.11708	18.9
125.09635	23.1
131.08537	15.6
133.00691	4.1
133.10126	26.0
135.08008	4.8
135.11703	20.6
137.09624	4.5
137.13277	4.2
143.08531	5.2
145.10112	14.0
147.11690	17.0
147.81790	3.3
149.09570	5.6
149.13248	17.8
151.11182	4.1
153.12637	3.3
157.10185	5.2
159.11722	20.9
161.13281	5.2
163.11099	4.4
171.11639	4.2
173.13202	12.8
175.14868	5.1
177.12741	4.1
195.13559	3.9
203.14151	3.4
215.17912	18.0
233.18999	23.7
251.20023	100.0
252.08484	4.0
269.17538	4.3
269.21103	42.9
287.11612	14.8
287.16623	9.0
287.20016	30.9
287.23590	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	287.2364
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
52.19088	3.4
53.98627	3.9
57.07058	4.0
62.58829	3.6
69.07019	6.9
78.18542	4.4
79.05446	5.1
81.07043	41.9
83.08607	3.9
91.05450	6.6
93.07006	21.1
95.08605	41.2
105.07024	26.3
106.23018	4.0
107.08585	31.0
109.10129	20.4
111.08102	4.5
119.08518	31.1
121.10123	22.3
123.11680	7.4
124.34547	4.0
128.97644	3.9
131.08534	19.9
133.10106	35.3
135.11682	26.6
137.24269	3.8
143.08516	8.4
145.10092	20.8
147.11671	24.1
149.13251	7.5
151.11105	4.4
157.10071	9.2
159.11670	18.7
161.13274	7.1
171.11690	7.2
173.13254	8.0
175.14763	16.7
185.13205	18.4
187.14777	7.8
199.14867	21.1
213.16310	5.8
227.17882	15.9
229.19432	53.5
241.19662	7.2
269.22540	47.1
287.20108	18.0
287.23657	100.0
304.02786	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	287.2364
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
55.05489	3.5
67.05494	5.1
69.07057	11.6
72.11049	2.1
79.05473	9.6
81.07042	35.3
83.08609	3.7
91.05482	10.3
93.07029	14.4
95.08588	43.5
97.06507	3.2
97.10150	3.0
105.07028	42.0
107.08576	32.8
109.10139	35.1
111.08067	3.2
113.05982	8.6
113.88117	1.9
117.07021	2.3
119.08568	29.8
121.06477	2.4
121.10108	26.3
123.11668	16.9
131.08548	23.6
133.10094	28.5
134.07173	2.1
135.11653	23.4
138.06656	2.2
143.08534	5.3
145.10081	22.8
147.11678	28.4
149.09586	2.6
149.13260	14.5
157.10136	12.5
158.60281	2.2
159.11667	19.5
161.13222	37.1
163.14754	4.0
165.12704	3.9
166.54404	2.2
168.87955	2.4
171.11656	13.0
173.13251	17.9
175.14774	27.4
177.16286	2.8
179.14275	34.4
185.13231	13.6
187.14809	12.3
189.16447	3.2
191.14262	18.7
199.14798	18.3
201.16406	4.4
213.16336	11.4
217.15845	14.0
227.18016	3.7
229.19484	4.2
241.19527	8.9
259.94995	3.3
263.44647	2.4
269.19177	7.7
269.22620	40.9
287.20050	50.8
287.23666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2361
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
55.05469	2.0
57.07038	1.7
67.05467	9.0
69.07030	6.1
71.08605	1.9
79.05458	2.4
81.06674	1.4
81.07043	26.1
83.08600	3.4
91.05464	2.2
93.07021	12.8
95.08577	21.0
97.10134	6.1
105.06982	15.4
107.08566	16.8
109.10126	20.0
118.59348	1.6
119.08559	14.6
119.09238	1.9
121.10125	12.7
123.11626	7.5
131.08496	4.0
133.10141	14.2
135.11626	11.9
143.08517	3.2
145.10071	15.6
147.11639	18.4
149.13155	7.7
157.10066	4.0
159.11656	11.9
161.13203	20.9
165.12637	6.4
167.20708	1.6
171.11623	2.2
173.13216	13.8
175.14738	10.5
179.14151	2.3
185.13174	7.3
187.14775	11.6
189.16293	6.5
191.14267	3.1
199.14665	8.4
201.16234	3.7
213.16246	8.7
227.17862	3.0
229.19348	10.6
231.17276	2.5
241.19424	3.1
257.22556	2.1
269.19217	2.2
269.22531	43.6
287.20071	7.1
287.23581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
50.66624	2.5
55.05517	30.9
57.03426	5.8
57.07080	17.9
62.03185	3.3
67.05511	11.7
69.07066	47.7
75.04480	4.0
77.13988	3.3
79.05492	7.0
81.07059	47.9
83.08617	19.4
93.07011	26.8
95.04948	4.1
95.08604	48.0
97.06528	6.1
97.10152	13.7
105.07026	24.5
107.08588	55.2
109.10158	44.3
111.07992	3.3
117.06968	3.3
119.08572	37.9
121.10130	36.0
123.08082	7.7
123.11694	39.0
125.09675	3.5
131.08527	15.8
133.10115	32.3
135.08061	6.2
135.11679	31.2
136.06779	3.4
137.13214	7.0
143.08580	6.2
145.10109	30.8
147.11687	27.7
149.13290	8.2
151.11217	3.9
155.01140	4.4
157.10149	16.8
159.11652	26.9
161.13255	29.6
163.14841	4.9
171.11632	14.1
173.13222	28.2
175.14777	6.3
179.14307	21.3
185.13269	8.1
187.14763	6.1
188.92461	5.0
189.12788	4.2
189.16362	13.7
191.14285	5.3
199.14803	16.2
201.16333	13.2
203.17911	12.4
213.16391	20.5
215.18100	5.0
217.15903	6.6
226.93961	5.2
227.17966	4.8
231.17432	3.9
243.20972	5.0
268.09970	4.2
269.19412	6.3
269.22543	45.2
282.11377	6.3
287.20129	33.7
287.23770	100.0
296.12943	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	287.2365
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
55.05500	7.3
57.04125	1.5
60.99121	1.6
62.21566	1.8
67.05491	10.4
67.18085	1.6
69.07056	8.6
79.05475	10.2
81.07049	34.3
83.08596	8.1
91.05474	7.2
92.17429	5.2
93.07021	17.3
95.08597	30.2
97.10166	3.4
100.21162	2.3
104.12439	1.8
105.07019	25.9
107.08575	48.8
109.10141	45.4
119.08564	38.2
121.10120	39.9
123.08074	9.6
123.11662	11.6
131.08534	18.9
133.10123	18.9
135.08049	18.2
135.11662	11.4
137.09570	3.3
137.13251	4.0
143.08534	9.8
145.10104	26.9
147.11659	31.3
149.09550	3.3
149.13231	8.7
157.10120	12.7
159.11665	31.8
161.13223	63.1
163.14781	8.8
165.12730	11.8
170.10847	2.2
171.11659	12.9
173.13222	32.3
175.11250	2.9
175.14807	24.3
177.12714	7.6
177.16370	9.2
179.14293	68.1
185.13239	10.1
187.14783	19.8
189.16376	2.6
191.14284	23.9
199.14781	19.6
201.16365	2.4
203.17883	2.8
205.15843	7.8
213.16325	15.3
215.17964	12.8
217.15843	22.1
227.17879	8.4
229.19519	8.1
231.17450	2.4
231.20946	2.9
241.19621	3.4
243.21092	2.2
245.19029	2.4
259.24152	2.7
269.22598	75.0
287.23660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2364
Annotation	Neocrotocembranal
Peak:m/z	Relative Intensity
51.58424	1.7
55.05492	3.3
57.07072	2.8
62.48662	1.6
67.05486	3.6
69.07047	3.6
79.05482	2.1
81.07041	14.1
83.08578	3.5
93.07023	10.0
93.23439	2.3
95.08566	11.5
105.06999	2.6
107.08561	12.6
109.07584	2.2
109.10111	10.6
112.83522	1.7
119.08561	3.8
121.10078	9.7
133.10098	3.6
134.72968	1.8
136.08681	3.0
137.09587	58.2
145.25165	1.6
147.11673	2.6
149.13217	16.1
151.11151	68.8
152.06305	1.9
157.10028	2.3
159.11757	1.9
173.13184	2.6
185.13377	1.9
213.16310	3.2
229.19475	3.9
269.22610	3.0
269.30234	14.7
287.16919	2.8
287.20355	6.0
287.23636	100.0
287.31165	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	287.2366
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
55.05497	5.0
57.07060	1.7
66.28409	0.7
67.05493	3.3
69.01310	0.7
69.07059	8.3
75.03569	0.7
79.05473	3.3
81.06647	1.0
81.07056	18.7
83.08591	4.6
91.05457	2.0
93.07042	9.3
95.08595	19.2
97.10152	11.2
105.07024	46.7
107.08591	10.3
109.09577	0.8
109.10155	14.4
111.11720	10.6
119.08571	15.5
121.10131	6.4
123.11683	16.4
126.57899	0.8
129.06909	1.0
131.08548	46.8
133.10117	12.2
135.11711	8.0
142.34840	0.7
143.08556	10.1
143.25842	0.8
145.10115	24.9
147.11644	7.4
149.13191	4.9
157.10115	22.5
159.11658	16.4
161.13228	14.5
163.14790	1.1
171.11650	14.5
173.13268	10.1
175.14807	10.5
177.16386	1.0
185.13248	19.0
187.14806	6.2
189.16359	1.9
199.14819	9.0
201.16328	4.0
203.17871	0.9
213.12762	1.9
213.16338	11.0
215.17934	1.8
227.17953	4.1
229.19455	4.6
241.19466	20.1
243.21043	1.5
259.20496	11.8
259.23975	1.2
269.19070	6.2
269.22580	63.2
274.06360	1.0
287.20071	15.5
287.23611	100.0
302.68619	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	287.2364
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
51.07594	0.5
55.05494	2.5
57.07066	1.1
57.49131	0.5
67.05474	3.8
69.07037	3.4
77.70887	0.6
79.05464	2.7
81.07042	15.7
83.04954	0.8
83.08610	1.4
91.05433	2.4
93.07013	16.6
95.08585	42.0
97.10136	3.6
103.87527	0.6
105.07001	20.7
107.08569	13.6
109.06448	1.2
109.10135	10.1
111.08051	20.6
113.86956	0.6
117.06960	1.5
119.08551	12.9
121.10116	8.0
123.11658	10.7
125.09631	1.1
131.08546	12.7
133.10112	10.5
135.07965	1.3
135.11664	16.6
137.09575	1.5
137.13199	0.8
139.11183	0.8
139.46300	0.6
143.08495	3.2
145.10077	12.3
147.11646	14.1
149.09595	3.3
149.13239	5.3
151.11139	3.9
153.12674	1.1
157.10068	8.8
159.11665	6.6
161.13228	5.2
163.11115	7.9
163.14813	0.6
165.12688	2.9
171.11620	7.1
173.13223	7.6
175.14757	4.0
177.12630	1.2
185.13251	8.3
187.14771	5.9
189.16312	2.6
190.24913	0.7
199.14745	5.2
201.16313	3.6
203.14392	0.8
213.16373	3.5
215.17978	1.2
227.17868	6.1
229.19455	35.2
231.17444	1.1
241.19400	5.8
269.19540	1.1
269.22543	14.8
270.40195	0.6
287.23602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2364
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
53.45881	1.0
55.05505	3.0
56.96553	1.1
57.07062	1.3
62.90521	1.1
66.99816	1.0
67.05488	8.2
69.07047	2.8
72.60558	1.0
74.30253	1.1
79.05476	8.4
81.07053	27.2
83.08604	2.9
91.05485	5.7
93.07031	22.0
95.08597	30.3
97.10149	2.0
105.07024	29.3
107.08588	26.3
109.10152	17.2
111.08057	15.4
117.06998	2.7
119.08569	22.9
121.10128	15.7
123.11677	9.2
131.08560	7.2
133.10126	21.3
135.11671	21.4
137.09631	4.6
139.11148	1.4
143.08504	5.3
145.10104	16.9
147.11685	23.4
149.13239	7.4
151.11168	2.5
155.05205	1.3
157.10115	10.4
159.11659	15.3
160.85075	1.3
161.13194	12.9
163.14804	1.5
165.12726	2.1
171.11632	8.9
173.13245	19.7
175.14766	7.9
176.16299	1.2
185.13258	8.8
187.14827	14.9
189.16406	1.7
199.14751	11.9
201.16409	7.0
205.15919	2.3
213.16440	9.8
215.92230	1.3
220.21094	1.3
227.17908	10.4
229.19484	47.5
231.17371	2.1
241.19484	6.3
269.19244	4.2
269.22595	24.2
287.20352	4.5
287.23654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2362
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
55.05483	2.9
61.72529	1.8
67.05479	3.9
69.07027	10.7
79.05448	4.2
81.07045	26.1
83.08589	3.6
91.05470	3.1
93.07000	9.7
95.08580	22.0
97.06467	2.2
97.10136	3.6
105.06987	12.0
107.08572	23.2
109.10132	20.7
111.11662	3.2
113.09649	2.6
119.08495	4.6
121.10109	11.1
123.11674	26.4
125.09566	2.7
131.08496	8.8
133.10074	13.7
135.11632	10.1
143.08496	3.3
145.10071	9.0
147.11641	18.9
149.13228	14.0
151.11134	4.1
154.97301	2.3
157.10054	8.6
159.11613	10.5
161.13174	8.7
163.11096	2.4
163.14760	4.1
171.11647	7.5
173.13165	8.4
175.14819	9.3
177.12779	2.1
185.13205	34.7
187.14731	3.2
191.14299	2.7
199.14754	13.7
205.15820	2.9
213.16318	15.6
216.36850	2.2
227.17824	2.8
229.19479	8.4
241.19319	2.5
243.20937	2.5
257.10086	2.1
263.58191	2.0
269.19519	2.6
269.22543	53.9
287.20065	11.4
287.23587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2361
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
55.05486	5.4
55.42854	1.2
57.07051	2.2
67.05481	8.9
69.07036	9.3
74.08002	1.6
77.91467	1.2
79.05457	6.2
79.13436	1.2
81.07048	24.4
83.08582	2.2
91.05470	4.6
93.07013	16.7
95.08051	1.6
95.08591	27.5
97.10148	8.8
105.07015	42.9
107.08572	17.7
109.10131	23.5
111.08044	3.1
111.11703	3.5
112.04792	1.4
117.29955	1.3
119.08523	16.9
121.10122	12.6
123.11661	5.8
129.07016	11.6
131.08542	25.8
133.06416	1.9
133.10104	18.4
135.11627	10.0
137.09509	1.9
143.08530	24.9
145.10085	39.1
147.11659	18.0
149.09663	1.6
149.13196	9.8
151.11131	1.9
157.10112	10.8
159.11647	23.8
161.13206	18.3
171.11612	8.9
173.13191	17.8
175.07492	6.4
175.11182	1.8
175.14761	16.8
182.81641	1.5
185.09489	2.5
185.13199	19.1
187.14786	12.3
189.16335	6.3
199.14754	8.0
201.16328	2.1
213.16296	2.9
217.12169	16.3
227.17853	9.9
229.19479	11.1
231.17592	1.7
241.19440	7.9
253.15340	1.5
269.22565	29.3
287.20206	7.5
287.23602	100.0
287.26825	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	287.2361
Annotation	Neocrotocembranal
Peak:m/z	Relative Intensity
55.05501	4.1
57.07059	4.5
68.02814	1.9
68.56133	2.2
69.04397	1.9
69.07037	12.8
70.15743	1.9
71.08606	27.4
81.07046	4.6
83.08591	12.5
93.07043	2.5
95.08575	13.2
97.10139	14.6
107.08563	9.4
109.10140	4.2
109.49225	2.1
119.08549	4.5
121.10118	3.9
122.76859	2.3
123.11719	2.5
125.13152	2.5
135.11664	4.8
147.07930	2.5
161.13257	3.2
163.14807	2.2
199.14699	2.5
269.22504	2.2
287.20255	7.0
287.23611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2363
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
51.79207	2.7
55.05491	3.3
55.59569	3.2
57.07062	4.0
67.05492	6.5
69.03430	3.6
69.07053	7.9
70.72392	3.1
81.07037	32.1
83.04948	4.1
83.08617	5.4
91.05454	6.4
92.77328	3.0
93.07021	20.1
95.08594	37.1
105.07016	8.5
107.08569	24.9
109.06494	5.6
109.07609	3.8
109.10129	20.3
112.08766	5.2
119.08568	15.5
121.10110	22.0
122.79822	3.3
123.11656	29.5
133.10118	8.1
135.08057	3.7
135.11670	34.0
137.09630	3.5
137.13185	5.2
144.36775	3.5
145.10088	23.9
147.11653	6.6
149.09544	28.5
151.11168	6.5
157.10129	4.8
161.13255	4.9
163.11180	6.3
171.11758	3.8
173.13295	5.7
189.12709	4.7
199.14903	6.7
269.19089	4.0
269.22519	17.3
287.16827	4.8
287.19974	27.6
287.23666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2364
Annotation	Leubethanol
Peak:m/z	Relative Intensity
55.05493	2.4
69.07033	1.8
71.08688	1.6
81.07042	3.7
93.07029	7.8
95.08576	6.8
105.07044	2.5
107.08569	11.4
109.10170	19.6
119.08605	2.2
121.06483	3.1
121.10110	3.1
123.07981	1.7
123.11703	9.2
125.09628	2.7
133.56155	1.7
135.08049	3.8
135.11678	20.8
137.09613	3.2
145.10075	6.3
149.09645	2.8
163.11148	64.1
175.11162	3.3
175.14836	1.7
199.14798	2.0
203.17989	2.1
215.65770	1.7
231.17323	12.9
240.00433	1.9
245.18999	3.4
287.20383	4.5
287.23663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52598	1.5
59.66685	2.0
59.90121	1.7
94.07346	2.2
95.08572	2.0
95.81413	1.7
96.08913	2.3
98.40398	2.1
103.60104	1.7
106.07331	1.8
109.10123	3.5
110.10464	1.9
123.11648	3.2
126.25993	1.9
137.09695	1.8
163.11116	4.3
164.11507	8.2
164.15358	1.7
174.13927	1.8
176.15253	2.0
203.60326	1.8
219.86383	1.7
230.19815	3.3
232.17674	3.2
232.46820	1.9
270.22876	2.5
288.20752	3.8
288.23990	100.0
288.28912	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	289.1793
Annotation	3,5-Bis(3-methyl-2-butenyl)-4-methoxybenzoic acid
Peak:m/z	Relative Intensity
58.05242	0.9
60.07620	0.8
67.05479	1.7
69.03393	1.1
69.07054	2.0
79.05470	1.8
81.07054	9.4
83.04958	0.9
83.08584	1.1
85.02876	1.9
85.06518	0.9
91.05483	0.9
93.07019	9.9
95.08578	5.8
99.04434	3.7
105.07014	6.1
107.08587	8.8
109.02877	1.0
109.06499	4.5
109.10138	8.1
111.08055	0.9
117.07008	0.9
119.08549	7.1
121.06493	6.3
121.10113	8.8
123.08031	1.0
125.07582	0.8
127.03912	7.8
131.08537	6.1
133.10107	16.6
135.08047	6.2
135.11678	16.5
137.05907	1.0
137.09615	1.0
139.07492	0.9
143.08516	1.8
145.10106	5.9
147.08047	7.2
147.11668	7.6
149.09592	1.3
155.08578	1.5
157.10080	4.5
159.07999	1.9
159.11670	5.0
161.09557	3.7
161.13136	2.1
163.11113	1.2
169.10092	5.6
171.11662	4.4
173.09578	6.3
173.13229	1.8
175.11169	1.4
183.11620	9.2
185.13104	2.7
187.11165	6.5
187.14783	1.3
189.12677	1.5
197.13232	4.0
199.14799	1.3
201.12651	8.8
201.16411	1.2
203.14078	0.9
210.13972	1.1
215.17929	8.8
217.12138	1.7
225.16335	20.7
228.73602	0.9
229.15913	1.2
235.13293	3.4
243.17392	73.1
244.39851	0.8
253.14174	1.9
271.16827	9.2
271.19708	1.1
289.17929	100.0
289.21204	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	289.1796
Annotation	3,5-Bis(3-methyl-2-butenyl)-4-methoxybenzoic acid
Peak:m/z	Relative Intensity
55.05479	0.6
57.07063	0.6
65.77367	0.4
67.05484	1.7
69.07050	2.2
71.08624	0.7
76.92458	0.5
79.05468	0.8
79.99019	0.4
81.07056	5.5
83.08628	1.3
90.64409	0.4
91.05479	1.0
93.07033	8.2
95.08589	3.3
95.24687	0.5
105.07009	3.0
107.08585	6.4
109.06497	1.8
109.10144	3.4
119.08578	4.7
119.12905	0.4
121.06494	0.8
121.10135	6.8
123.08012	0.7
123.11691	0.6
131.08502	3.1
133.10114	11.8
135.08041	3.9
135.11671	14.8
137.09555	0.5
143.08525	1.9
145.10091	3.3
147.08026	6.7
147.11623	3.1
149.09555	0.9
155.08543	1.8
157.10103	2.4
159.07993	2.0
159.11649	3.4
161.09563	3.1
161.13202	0.7
163.11176	1.0
169.10068	4.1
171.11621	2.4
173.09605	6.4
173.13208	2.2
174.89342	0.5
175.11134	1.0
175.14699	0.6
183.11664	9.3
185.13228	2.6
187.11166	6.2
189.08913	0.6
189.12758	1.9
193.82077	0.5
196.12471	0.6
197.13193	2.9
199.14787	1.6
201.12723	6.8
201.16348	1.1
203.14323	0.7
205.83627	0.5
210.13811	0.4
215.14462	0.6
215.17899	6.6
225.16330	20.6
229.15781	2.1
243.17410	64.6
271.16940	9.1
271.24466	2.1
289.17944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1793
Annotation	3,5-Bis(3-methyl-2-butenyl)-4-methoxybenzoic acid
Peak:m/z	Relative Intensity
55.05490	1.1
55.78322	0.7
61.64963	0.8
64.66578	0.8
69.07047	1.6
71.08601	0.8
73.06558	0.8
75.01547	0.8
79.05477	1.0
81.07064	6.2
83.08597	1.3
91.05489	1.4
93.07021	10.2
95.08582	6.2
105.07009	4.6
107.08566	5.6
108.22721	0.8
109.02930	0.8
109.05244	0.9
109.06492	3.1
109.10144	6.3
119.08526	5.6
121.10114	7.2
127.03879	1.6
131.08553	1.7
133.10110	13.2
135.08049	4.6
135.11670	18.2
135.66512	0.7
143.08479	1.2
145.06511	0.9
145.10095	4.2
146.89862	0.8
147.08044	7.4
147.11630	3.6
155.08507	1.1
157.10109	3.6
159.08002	3.0
159.11652	4.8
160.51965	0.8
161.09531	1.6
163.11157	1.6
169.10095	5.6
171.11691	1.1
173.09569	6.5
173.13191	2.0
175.11124	1.8
183.11679	9.8
185.13229	1.1
187.11125	4.9
197.13237	4.2
201.12709	7.0
215.14339	1.1
215.17885	7.2
225.16356	22.3
229.15753	1.6
243.17386	70.6
246.94797	0.9
253.39645	0.9
271.16861	13.6
271.19736	1.3
289.17938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2154
Annotation	Normethandrolone
Peak:m/z	Relative Intensity
50.78946	1.1
55.05490	7.6
57.07051	6.1
64.00134	1.1
67.05475	5.6
69.07063	11.8
77.66187	1.1
79.05464	2.0
81.07039	42.2
83.08596	30.8
91.05444	2.6
92.89773	1.4
93.07030	7.7
95.08587	16.1
97.10163	2.9
105.07012	22.5
107.08566	13.5
107.97185	1.4
109.10125	8.6
117.06995	2.6
119.08547	20.8
121.10116	8.0
123.11674	89.2
129.09088	1.6
131.08536	53.3
133.10085	14.2
135.08058	1.9
135.11676	6.1
142.87050	1.3
143.08531	2.7
145.10098	23.9
147.08058	3.1
147.11620	9.4
147.79608	1.4
148.92801	1.4
149.09612	2.2
149.13235	2.4
156.39540	1.3
157.10104	8.9
159.08015	2.7
159.11684	18.8
161.13223	7.5
162.29131	1.4
163.07590	1.5
163.11151	1.6
163.14769	5.1
169.65071	1.4
173.09630	2.2
173.13216	14.1
175.14780	5.7
177.09070	2.2
183.11655	5.1
185.13214	1.8
187.11195	2.8
187.14752	17.7
191.10643	2.7
193.12251	1.9
201.12703	7.8
201.16328	17.8
205.12180	7.1
215.14346	1.7
219.13759	36.5
222.27873	1.5
229.15891	5.2
229.19443	50.7
233.15269	11.5
247.16904	9.6
249.34995	1.6
271.20349	7.2
289.21548	100.0
289.24878	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	289.2155
Annotation	Normethandrolone
Peak:m/z	Relative Intensity
53.42355	1.5
54.78325	1.5
55.05493	7.4
56.04618	1.6
57.07048	8.2
57.08717	1.4
62.60123	1.6
63.49281	1.6
67.05481	4.2
69.07034	8.9
70.15587	1.9
70.72166	1.8
79.05469	3.6
81.07035	28.0
83.08598	21.2
83.82974	1.6
91.05429	2.4
93.07030	16.0
95.08569	23.7
96.34089	1.9
97.10118	1.8
104.18075	2.0
105.06998	19.8
107.08543	16.6
108.75279	2.0
109.10139	14.7
111.08051	2.2
117.06971	3.8
119.08538	21.7
121.10112	20.1
123.11668	43.0
128.02864	1.7
131.08545	42.3
133.10095	13.8
135.08014	6.6
135.11641	10.5
139.07533	1.9
143.08441	2.6
145.10086	18.3
147.08090	2.1
147.11665	11.9
149.13264	3.4
157.10072	7.5
159.08055	2.5
159.11606	23.3
161.13168	6.8
163.11111	2.0
171.11644	3.8
173.13202	13.5
175.14899	2.7
177.09026	3.8
177.12843	1.8
181.28712	2.0
183.11655	2.0
187.14771	18.0
191.10567	1.7
197.13168	2.5
201.12631	3.2
201.16380	10.2
205.12224	3.3
213.16472	2.0
215.14285	2.0
219.13777	26.1
227.17838	2.6
229.19466	39.8
233.15370	9.3
247.16833	2.7
253.19353	3.4
271.20468	11.0
271.23230	2.9
289.21539	100.0
309.42456	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	289.2155
Annotation	Pipataline
Peak:m/z	Relative Intensity
55.05497	17.7
62.04390	4.6
67.05498	9.0
69.07040	10.6
79.05497	10.7
81.07037	21.0
83.08592	11.9
91.05442	10.9
93.07018	19.1
95.08594	26.2
105.07008	42.6
106.12070	4.6
107.08567	23.5
109.10113	11.2
115.12894	4.4
119.08545	38.1
121.06501	8.2
121.10128	7.8
125.20363	4.9
131.08563	19.0
133.10130	33.0
135.11687	9.7
145.10104	9.5
147.11658	22.6
159.11667	24.8
161.13203	10.4
171.01439	4.6
173.13222	11.2
177.12637	7.4
187.14749	7.6
203.45946	4.5
222.75185	4.8
233.15292	4.8
241.12047	6.9
245.18866	5.2
250.49292	4.9
271.40872	6.1
289.21573	100.0
289.24777	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	289.2156
Annotation	Cespitularin E
Peak:m/z	Relative Intensity
52.98459	0.8
55.05510	1.6
55.74222	0.8
66.68296	1.0
67.05496	8.2
67.24767	0.9
69.07046	2.4
75.99062	1.0
79.05482	4.6
81.07046	18.3
83.08629	1.0
85.07610	1.0
91.05427	1.7
91.81749	0.9
93.07030	4.9
95.08587	22.1
97.06493	1.4
105.07014	7.6
107.04901	1.2
107.08570	9.8
109.10135	100.0
115.01894	1.0
117.06923	1.0
119.08528	7.2
119.91064	1.0
121.06487	6.4
121.10109	6.3
123.11633	1.4
131.08545	1.6
133.06470	1.9
133.10117	6.3
135.07990	1.6
135.11641	4.3
138.10742	1.0
143.08527	2.4
145.06470	1.7
145.10120	6.3
147.08034	9.1
147.11668	3.7
149.09550	1.6
149.13240	2.3
157.10062	2.0
159.07985	1.0
159.11623	4.8
161.09584	4.5
161.13266	4.3
163.11179	2.1
169.10170	1.1
171.11609	4.7
173.09647	1.8
173.13258	5.4
175.11172	1.5
175.14720	1.3
183.11693	3.9
185.13258	2.5
187.11250	1.8
187.14839	4.9
189.12698	51.9
189.16348	1.5
191.14301	1.4
197.13264	6.2
201.12706	8.3
203.14253	11.4
211.14735	2.2
215.14322	8.0
228.86618	1.0
229.15878	2.1
229.19511	1.0
240.95197	1.0
243.21027	6.4
245.18880	1.7
253.19527	5.7
271.20493	99.9
289.18039	6.0
289.21518	45.0
289.24771	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	289.2155
Annotation	Cespitularin E
Peak:m/z	Relative Intensity
54.28334	0.5
55.05492	2.2
61.84851	0.5
67.05501	4.2
69.07053	1.1
71.30222	0.5
79.05466	1.2
81.07043	15.2
83.08591	1.1
84.67945	0.5
87.76699	0.7
91.05434	0.9
93.07006	5.0
93.90292	0.5
95.04940	0.6
95.08585	9.0
97.06497	0.6
97.10140	3.0
105.07008	3.3
106.08633	0.8
107.08572	7.4
109.06502	0.9
109.10139	14.4
111.08047	1.4
119.08521	3.6
121.06458	4.9
121.10142	4.5
123.08028	2.1
123.11679	8.1
131.08533	2.4
133.10112	3.0
135.08049	6.7
135.11662	4.1
137.09595	3.8
139.07527	0.9
143.08536	1.0
145.10091	2.8
147.07999	3.7
147.11650	4.0
149.09598	18.5
149.13217	2.5
155.08546	1.0
157.10104	2.9
158.90553	0.6
159.11633	3.8
161.09604	6.3
161.13202	2.3
163.11133	14.3
169.10060	0.8
171.11707	3.2
173.09549	2.3
173.13245	4.4
173.65424	0.6
175.11137	8.6
175.14845	0.9
177.12650	1.0
183.11650	2.2
185.13266	1.1
187.11095	5.1
187.14735	2.3
189.12682	6.6
194.05394	0.6
197.13176	4.2
201.12700	3.0
203.14102	1.1
211.14801	2.2
215.14285	5.5
215.17987	0.6
225.16243	1.0
229.15846	1.4
229.19295	0.8
243.17409	3.4
243.21051	0.9
245.18900	2.5
253.19392	4.3
256.17957	0.7
271.20496	78.5
289.18076	3.1
289.21552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2155
Annotation	Cespitularin E
Peak:m/z	Relative Intensity
54.04161	0.6
55.05508	3.1
57.07062	1.0
59.63074	0.7
62.40176	0.6
65.17159	0.8
67.05499	5.8
69.07054	1.2
79.05444	1.4
81.07036	11.5
82.55972	0.7
83.08608	1.0
91.05458	1.3
93.07008	6.1
95.08584	12.6
99.04395	0.8
105.06996	1.5
107.04987	1.0
107.08564	6.6
109.06487	0.8
109.10130	100.0
119.08554	5.5
121.06496	1.5
121.10151	5.2
131.08614	1.5
133.06485	2.9
133.10127	3.8
135.07986	1.2
135.11642	3.9
143.08537	1.1
145.06447	3.2
145.10100	4.6
147.07999	6.3
147.11633	2.9
149.09552	1.4
149.13194	1.8
157.10179	2.8
159.08041	1.5
159.11644	3.5
161.09584	3.9
161.13187	3.5
171.11636	1.6
173.09599	4.9
173.13217	4.5
180.80722	0.7
183.11650	1.1
185.13176	1.3
187.11221	1.4
187.14793	4.3
189.12703	21.0
195.79753	0.7
197.13171	3.2
199.14857	0.9
201.12663	7.3
201.16301	1.4
203.14223	10.8
211.14836	0.8
213.16661	0.9
215.14294	7.9
225.16293	1.6
229.15855	3.0
235.33025	0.8
243.17366	4.8
243.20996	6.2
253.19446	3.7
271.17291	2.6
271.20474	68.3
289.17920	6.9
289.21542	22.2
289.24838	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	289.2522
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.77407	2.9
54.50992	3.4
55.05510	16.1
57.07049	3.7
59.90068	3.1
64.31707	3.0
67.05504	8.8
69.07060	38.6
71.04967	3.7
80.49390	3.1
81.07037	42.6
83.08596	7.7
91.05476	6.3
93.07010	5.7
95.08593	46.2
96.62953	3.5
97.10158	14.7
99.04450	4.1
105.07032	26.8
107.08584	25.6
109.02870	4.9
109.10159	29.9
111.11735	6.4
119.08523	33.5
121.10110	30.3
123.11723	8.9
125.09650	4.0
127.03909	13.0
131.08551	8.3
133.10135	30.5
135.08136	3.5
135.11688	23.1
145.10104	19.1
147.11655	28.1
149.13231	29.2
157.10078	4.7
159.11684	24.7
161.09535	4.6
161.13232	38.3
163.14832	16.6
173.13246	24.9
175.14824	14.3
177.16373	14.0
179.14348	32.3
183.11671	5.0
187.14771	15.0
189.16360	7.0
199.78020	4.0
201.16370	8.6
207.17421	15.4
215.18007	17.5
229.19565	4.9
243.17448	5.3
271.16925	6.6
271.21008	7.2
271.24182	37.1
289.17975	26.2
289.21616	26.4
289.25226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05515	5.7
55.70938	5.4
57.07065	7.9
67.05511	6.6
68.32410	4.9
69.03406	7.5
69.07053	24.9
69.62572	4.5
76.69089	5.2
79.05493	11.0
81.07047	86.8
83.08611	11.5
93.07033	28.3
95.04942	7.1
95.08564	42.4
104.14534	6.6
105.06979	8.8
107.08588	27.7
107.53185	5.1
109.06510	12.9
109.10139	25.7
119.08554	12.1
121.10101	11.6
123.08024	6.8
123.11696	31.4
131.08488	12.2
133.10117	14.8
143.42026	6.0
145.10133	7.0
151.11133	100.0
170.93323	6.4
173.13246	7.3
229.19453	8.9
271.24323	10.0
289.21561	29.1
289.25031	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	290.1341
Annotation	Ophthalmate
Peak:m/z	Relative Intensity
50.14268	0.4
58.06594	100.0
60.04479	0.4
60.88120	0.4
61.09993	0.4
70.06576	2.1
72.08131	3.4
74.06094	0.5
76.04014	0.4
83.36584	0.4
84.04494	15.4
84.08119	0.6
85.02889	0.5
86.06066	0.4
86.09716	3.0
88.03991	0.7
92.17442	0.7
102.05494	0.5
116.07091	0.5
124.07587	2.4
127.03932	2.2
128.04230	0.5
128.07077	0.9
129.10226	1.7
130.04974	6.8
142.05017	0.9
142.08609	0.7
144.10182	0.9
152.07043	0.5
158.09236	0.6
161.09171	25.9
169.09752	2.8
169.30429	0.5
170.08095	3.4
173.09253	0.5
175.11978	0.5
197.09233	1.0
207.08220	0.4
215.10251	11.2
215.12248	0.7
223.25058	0.5
227.10320	1.9
273.10965	1.0
290.13382	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	290.1341
Annotation	Ophthalmate
Peak:m/z	Relative Intensity
58.06595	100.0
60.05624	0.4
69.16051	0.4
72.08156	1.6
76.04002	1.0
79.77203	0.4
81.03424	0.4
82.37896	0.4
84.04491	15.2
85.02879	0.6
86.06009	0.5
86.09698	0.3
102.05590	0.4
105.88417	0.4
109.02886	0.8
109.19704	0.5
110.03244	0.5
118.08659	0.6
123.09233	0.5
124.07592	2.4
127.03918	2.5
128.04259	1.8
128.07039	0.7
130.04991	7.6
130.48344	0.4
142.05005	0.7
157.44002	0.4
161.09178	26.0
168.69566	0.4
169.09761	2.7
170.08124	3.1
174.79132	0.4
197.09322	1.6
215.10240	11.6
215.12180	0.5
227.10335	2.6
238.60071	0.4
246.95988	0.5
272.11520	0.5
273.10919	1.6
290.13406	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	291.0971
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
59.58117	0.4
68.49094	0.4
70.06560	0.5
74.02419	1.1
74.06121	0.4
80.81506	0.4
88.03967	3.8
116.03427	1.9
120.64925	0.5
127.55283	0.5
130.06497	100.0
133.25327	0.5
134.04459	12.1
147.04376	2.2
154.67664	0.4
173.50648	0.4
177.05367	0.6
222.51198	0.4
222.80576	0.5
250.02827	0.4
273.08401	1.5
273.13260	0.9
291.09671	4.3
291.13065	0.8
302.14331	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	291.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03315	0.6
53.00380	0.7
61.01144	5.8
61.24135	0.6
61.35315	0.7
78.06338	0.7
78.31250	0.6
84.08124	65.3
86.09650	1.0
86.29272	0.7
95.83984	0.7
132.08397	100.0
132.98795	0.6
143.08521	0.7
170.01736	0.8
189.75078	0.7
198.11162	1.1
215.13818	1.3
291.17297	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	291.1948
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.27304	3.2
55.01857	3.6
55.05489	20.1
57.03422	8.7
57.07041	4.5
67.05486	24.6
69.07050	8.5
78.06018	4.3
79.05474	26.2
81.07051	30.6
83.08591	15.8
85.06512	6.0
88.07598	5.1
91.05453	25.3
92.16840	3.8
92.17391	5.4
93.07025	27.1
95.04948	6.5
95.08591	18.3
97.06561	3.6
97.10155	8.4
105.07009	22.7
107.08561	21.1
109.06483	25.0
109.10130	15.6
117.06996	20.4
119.08551	36.6
120.59496	4.3
121.10130	19.3
123.08077	4.0
125.09610	8.6
129.07001	7.0
131.08524	21.1
133.10095	8.8
135.08037	39.8
135.11668	8.9
138.52965	5.9
141.22298	3.9
143.08549	14.2
145.10104	23.4
147.08025	27.0
147.11693	7.5
151.07515	4.2
156.92307	4.2
157.10100	8.6
159.11670	5.7
161.09557	9.9
163.11200	7.3
166.54318	4.4
171.11702	8.2
175.11067	5.0
177.12706	4.0
177.18117	3.9
185.13332	4.7
189.12608	5.0
199.14865	4.9
201.12685	4.9
215.27322	4.2
217.15823	18.8
229.23552	26.4
235.53560	4.5
249.14774	6.0
273.18454	39.6
273.21841	8.6
291.19446	100.0
291.22769	9.7
291.27048	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	291.1947
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.44501	0.9
55.01874	1.0
55.05505	9.7
57.03428	10.8
67.05487	8.7
68.55798	0.8
69.03436	1.3
69.07043	4.7
75.94064	0.9
79.05488	8.9
80.52916	1.0
81.07047	14.3
83.04958	1.8
83.08619	7.9
83.16843	0.9
85.06529	1.1
91.05460	10.9
93.07024	13.6
95.04941	4.2
95.08578	6.5
97.06532	1.4
97.10157	11.4
97.29436	0.9
99.62363	0.8
105.07005	12.2
107.04926	6.3
107.08564	12.7
109.06491	6.5
109.10114	4.8
111.08099	1.3
113.06001	1.9
117.06982	9.7
119.08558	15.9
121.06499	4.1
121.10081	7.6
123.08032	5.0
123.11645	1.1
125.09596	8.5
129.06973	1.9
131.08542	9.1
133.10081	9.4
135.08000	4.7
135.11670	12.0
137.09555	1.8
143.08549	3.9
145.10089	10.7
147.08028	11.9
147.11671	2.1
149.09608	7.4
149.13232	1.4
157.10092	7.7
159.11604	5.1
161.09534	3.9
161.13206	1.2
163.11133	4.3
171.11682	1.9
173.13213	2.3
175.11145	5.9
177.12639	1.1
185.13222	6.4
189.11234	2.2
189.12781	1.9
199.14790	1.6
201.12650	1.4
203.14294	4.2
217.15854	4.7
217.19452	4.8
217.96504	1.2
219.13774	6.3
227.17831	12.2
245.18950	37.5
255.17351	4.2
262.07797	1.1
273.18442	28.1
291.19498	100.0
291.22870	4.6
301.61288	1.2
302.72186	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	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01867	6.8
55.05502	21.1
57.03425	17.3
67.05500	35.7
69.07034	23.3
69.90863	4.2
79.05484	55.3
81.07045	53.3
83.08597	18.2
84.27674	4.2
91.05496	29.1
92.16933	7.4
93.07030	73.9
95.04939	6.3
95.08583	42.0
100.57800	3.5
105.07015	21.8
107.08592	69.9
109.06503	55.9
109.10149	9.0
117.06973	6.5
119.08566	19.3
121.10129	53.5
123.08094	5.0
123.11705	4.2
131.08543	16.0
133.10086	18.4
135.08023	100.0
135.11684	41.8
143.08507	5.0
145.10091	4.8
147.11635	10.0
149.09557	8.6
149.13327	14.1
157.10191	4.9
159.11676	4.0
161.09532	5.0
161.13271	4.0
163.14751	6.6
188.31432	4.1
217.19695	4.3
273.18314	7.7
291.19458	61.6
291.23138	55.7
291.26282	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	291.2312
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
55.05513	4.4
57.07071	4.3
58.25979	3.3
61.23520	3.3
62.35321	3.3
67.05485	24.2
69.07055	21.0
78.29646	3.7
79.05482	44.2
81.07050	40.7
83.08583	5.9
83.36086	3.8
85.43241	3.7
86.37985	3.6
93.07027	74.5
95.04934	4.2
95.08582	30.2
97.10171	5.4
99.70638	4.1
103.02633	4.2
105.07004	7.9
107.08566	52.7
109.10145	16.4
111.09191	4.3
112.08682	4.0
113.39811	4.6
119.08582	9.1
121.10104	44.4
133.10098	8.2
135.11693	48.1
138.10216	6.4
147.11739	6.6
149.13222	27.0
151.09708	4.8
161.13220	6.1
163.14798	7.3
246.91782	4.6
249.58150	4.7
259.20499	7.1
291.15826	3.8
291.19345	18.7
291.23157	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
55.05291	0.9
55.05508	12.6
57.07065	1.2
57.36185	1.1
62.28694	1.0
64.57817	0.9
67.05497	28.1
69.07055	15.6
79.05485	49.3
81.07050	35.5
81.36212	1.1
83.04954	1.8
83.08616	9.7
84.31908	1.1
84.69462	1.0
91.05469	11.7
93.07028	100.0
95.04947	1.8
95.08596	28.9
97.06509	1.9
97.10131	5.3
105.07032	13.0
107.08585	58.5
109.06497	1.4
109.10145	13.6
113.47484	1.5
119.08548	14.6
121.10121	51.8
123.08041	2.5
123.11683	4.7
129.06990	1.7
131.08583	5.0
133.10100	12.8
135.07971	1.5
135.11676	60.1
137.09750	1.5
143.08511	2.2
145.10089	4.7
147.11658	12.0
149.09550	1.8
149.13239	28.5
151.11189	1.4
159.11638	5.9
161.13242	9.9
163.14786	8.3
171.11649	2.7
173.13254	2.4
175.11203	1.8
175.14810	6.1
177.12709	2.3
185.13246	5.4
209.15199	1.3
234.99486	1.2
236.61572	1.4
241.19453	2.9
249.18356	2.5
259.20499	9.2
273.18250	1.2
291.23141	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	291.2312
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.63825	1.2
55.01853	3.4
55.05512	13.5
57.03426	3.6
57.07059	1.9
67.05493	34.1
69.03413	1.9
69.07049	14.9
79.05481	70.2
81.07047	49.5
83.04956	2.5
83.08622	12.7
84.13274	1.5
85.06529	3.0
90.88770	1.4
91.05472	22.2
93.07025	100.0
95.04974	7.0
95.08593	35.7
97.10138	6.2
105.07003	17.7
107.04946	2.1
107.08574	71.6
109.06501	28.4
109.10126	16.3
117.06985	7.5
119.08565	16.2
121.10117	57.2
123.11694	2.6
129.06921	1.8
129.30179	1.6
131.08536	11.9
133.10136	15.2
135.08035	46.6
135.11664	60.7
143.08553	4.0
145.10098	7.9
147.11659	8.1
149.09589	6.9
149.13228	28.9
157.10133	2.1
159.11693	6.8
161.09639	4.0
161.13228	8.5
163.14781	11.0
168.01460	1.7
171.11659	3.0
173.13249	3.0
175.11082	2.0
175.14713	6.6
185.13197	1.8
189.12619	2.3
199.14844	2.0
202.10861	1.8
217.15858	3.0
249.18315	2.4
259.20572	8.1
266.35666	1.7
273.18442	3.9
291.19519	32.1
291.23141	82.4
291.26538	3.0
306.00092	1.9
314.39972	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	292.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83648	0.7
53.78971	0.6
53.84275	0.8
55.67247	0.7
57.01933	0.8
60.04515	3.6
60.84274	0.8
84.04006	1.5
84.04494	30.3
91.05516	1.0
103.44734	0.8
118.06522	100.0
123.04440	1.4
130.04988	10.8
130.06490	5.2
135.09154	3.1
139.03883	5.8
140.04256	4.3
145.07568	6.0
146.05946	9.4
147.04396	1.1
163.08630	97.3
175.08636	1.3
179.72501	0.8
195.53914	0.9
201.10234	1.9
225.55246	0.9
228.11249	1.3
229.09647	7.7
257.42010	0.9
263.33838	0.9
274.11649	1.4
275.10217	1.1
292.08847	1.1
292.12799	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	292.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01371	10.5
76.56131	15.2
79.00823	10.3
170.99025	13.6
171.99155	27.2
178.92583	27.0
189.00076	13.5
190.00226	28.7
210.00514	11.1
210.89618	11.3
227.01587	27.2
228.01768	100.0
228.44244	11.3
246.02748	38.9
260.13690	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	293.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89069	1.4
66.70622	1.4
71.29478	1.5
76.33577	1.6
118.08640	17.5
119.08942	8.5
129.93887	1.8
132.02107	6.0
146.74126	1.7
176.01109	3.9
176.12190	2.9
189.31100	1.6
284.38400	2.0
293.06250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46011	2.6
55.01893	3.6
57.03432	62.5
61.02910	7.8
61.63328	2.9
67.05515	4.2
69.03413	7.7
71.01337	20.0
73.02892	23.9
83.04961	4.5
84.04478	4.0
84.08156	3.3
85.02888	73.5
85.06524	8.7
87.04448	29.8
88.14344	4.0
95.01314	6.8
96.03532	3.8
97.02882	36.1
99.00812	13.9
99.04420	8.0
103.03919	5.2
109.17311	3.0
113.02349	46.1
113.05985	7.0
117.05465	86.6
131.03404	16.3
131.07001	16.1
131.08983	3.3
132.03432	3.1
136.06116	4.4
137.05011	3.4
141.01830	25.4
148.02884	4.5
148.03886	37.5
150.96913	4.4
159.02966	3.8
159.06479	29.9
162.05464	27.9
174.05464	15.7
192.06490	7.1
192.96205	6.7
206.08118	40.2
234.07545	100.0
234.09752	5.6
251.97359	13.9
275.10223	7.4
293.08560	21.6
293.11597	6.3
293.14835	83.8
293.21051	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	293.1741
Annotation	Lasiodiplodin
Peak:m/z	Relative Intensity
55.05509	1.9
57.07023	1.7
63.82808	1.3
65.87627	1.3
66.79241	1.3
67.05485	2.5
67.12817	1.3
69.07058	6.4
70.69274	1.5
71.04975	3.4
79.05480	2.5
81.07047	9.0
83.08582	1.8
87.05273	1.6
91.05453	2.3
93.07019	11.4
95.04967	2.2
95.08582	11.4
99.04420	5.8
105.07005	2.9
107.08567	12.2
109.06505	6.2
109.10127	7.6
111.08060	2.4
119.07784	1.4
119.08542	9.6
121.06483	2.1
121.10128	8.6
123.08051	2.8
125.09591	3.1
131.08534	5.6
133.10101	9.3
135.08037	3.5
135.11682	13.5
137.09552	1.7
143.08479	2.5
145.10114	8.5
147.08017	2.9
147.11682	3.2
147.24292	1.5
149.09596	3.2
151.07544	1.6
151.11183	2.7
155.08556	3.4
157.10100	6.2
159.11635	13.5
161.09561	2.8
161.13199	6.7
169.10089	5.3
171.11647	2.6
173.09633	1.7
173.13249	5.9
175.11174	11.3
177.09081	1.7
182.45563	1.6
183.11693	2.5
187.11121	6.4
187.14754	7.1
199.14793	6.9
201.16406	13.7
211.14708	14.7
215.14415	2.2
217.15836	19.4
219.17279	1.7
229.15770	18.3
233.15230	3.3
247.16869	37.7
257.19025	1.6
275.16415	11.8
275.20050	8.9
293.14133	3.5
293.17429	100.0
293.21027	13.4
305.61536	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	293.1741
Annotation	7-Demethoxy-7-oxo-albocycline
Peak:m/z	Relative Intensity
52.44580	2.3
54.81123	2.6
55.01860	5.5
55.05500	12.6
62.83930	2.5
67.05482	21.8
67.51442	2.4
69.03429	5.9
69.07061	18.5
71.04976	15.8
72.08118	3.6
72.96366	2.8
79.05489	18.1
81.03420	3.0
81.07043	57.2
83.04964	6.0
83.08596	12.0
85.02909	3.2
85.06535	4.7
91.05461	23.4
93.07027	41.2
95.04959	16.5
95.08592	42.0
97.06496	6.1
99.04404	4.5
99.08112	3.8
105.07026	27.8
107.04946	4.1
107.08585	40.7
109.06496	23.8
109.10150	27.1
111.08075	7.1
117.06999	17.2
119.08556	34.5
121.06481	17.2
121.10130	31.4
122.28548	2.8
123.08032	24.2
123.11716	4.9
125.09593	4.5
127.07597	3.9
127.11135	3.9
129.06975	7.2
131.08542	35.4
133.06488	6.3
133.10104	39.6
135.08025	13.2
135.11691	7.3
137.09607	4.5
143.08530	21.1
145.06425	4.0
145.10095	46.1
147.08058	13.5
147.11667	17.3
149.05972	3.8
149.09616	18.7
151.11139	6.2
155.08510	22.8
157.10095	18.2
159.07999	29.9
159.11604	22.4
161.05917	5.0
161.09554	26.4
161.13290	6.2
163.07513	12.2
163.11212	11.9
165.08992	3.8
165.12781	4.0
169.10104	18.9
171.08014	4.4
171.11694	20.8
173.09589	31.0
173.13208	38.9
175.07431	3.9
175.11130	14.7
175.14871	3.6
177.09123	5.1
177.12711	5.6
183.11659	14.9
185.09668	3.7
185.13168	22.0
187.07524	4.1
187.11140	36.3
187.14743	23.4
189.12590	3.4
191.14223	3.8
195.11679	4.5
197.09566	6.4
197.13249	28.9
199.11169	7.4
201.09056	24.1
201.12698	6.2
203.14313	5.2
211.14835	21.6
215.10780	10.3
215.14241	43.6
217.15808	4.0
219.10150	5.7
221.13246	5.8
229.12242	4.0
229.15855	28.8
239.14241	14.3
239.17886	5.3
245.15308	3.2
247.16876	6.2
257.15335	95.9
257.18954	16.0
263.16565	3.6
275.16385	87.7
275.19968	34.7
293.08139	6.3
293.17422	38.7
293.21054	100.0
293.24496	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	293.2103
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
51.90586	0.2
52.68441	0.3
55.05494	1.3
67.05480	1.5
69.07061	0.6
70.70940	0.3
71.08605	1.1
79.05460	1.3
81.07034	2.2
83.08582	0.6
91.05427	0.4
92.17438	0.6
93.07006	1.3
95.04942	2.9
95.08575	1.7
97.10152	0.3
99.08044	0.4
105.06952	0.9
107.04932	0.5
107.08565	1.2
109.06523	0.4
109.10168	0.4
113.00097	0.3
119.08540	0.4
119.24445	0.2
121.06480	1.2
121.10067	0.6
123.08067	0.4
125.09573	0.3
131.08461	0.4
133.10112	0.4
135.11681	0.4
145.10027	1.1
149.09569	0.5
149.13202	0.3
150.65178	0.3
151.11148	1.9
154.38165	0.2
163.11166	1.0
164.11896	0.3
165.12724	0.3
172.84921	0.3
177.12648	0.4
202.93895	0.3
223.13123	0.4
237.14859	1.0
259.77072	0.3
275.20135	1.9
293.21066	100.0
308.08054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.62432	0.9
55.01856	2.0
55.05499	11.1
57.03431	13.9
67.05488	17.8
69.07052	12.8
71.04977	4.6
73.06557	1.0
79.05480	36.6
81.07043	26.2
83.04967	2.4
83.08608	11.2
85.06509	4.9
91.05457	20.9
93.07018	50.8
95.04949	9.3
95.08582	25.8
97.06509	4.5
97.10149	16.5
105.07014	37.8
107.04968	1.2
107.08571	99.5
109.06496	8.6
109.10131	10.6
111.08086	2.5
117.06995	8.9
119.08561	30.4
119.58618	1.1
121.06436	1.6
121.10120	16.2
122.13781	1.1
123.08036	2.5
123.11697	1.5
125.09601	7.8
129.06985	4.4
131.08511	12.7
132.05203	1.4
133.10098	25.1
133.44426	1.1
135.08022	4.7
135.11655	7.7
137.09494	1.1
138.83835	1.4
139.11151	1.4
143.08507	7.1
145.10077	20.0
147.08057	2.1
147.11633	21.4
149.09581	10.8
149.13223	1.4
151.11136	6.3
153.12610	1.4
155.10660	1.2
157.10109	5.8
159.11673	16.8
161.09612	1.8
161.13226	14.2
163.11145	6.0
165.12614	1.3
169.10129	2.2
171.11668	4.7
173.13229	7.8
175.11142	2.2
175.14734	4.5
177.12752	2.2
181.12221	1.2
183.11684	4.9
185.13181	16.9
189.11151	5.2
189.12672	1.3
191.14279	2.0
200.74400	1.1
201.12808	1.3
201.16238	1.8
203.14268	10.8
205.15717	2.5
219.17390	9.6
221.15340	14.2
229.19518	2.7
239.17854	6.9
257.18921	16.3
275.19995	100.0
293.21017	32.6
296.69336	1.3
300.73416	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	293.2106
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
55.01868	0.6
55.05510	2.7
57.07071	0.3
62.49805	0.3
62.79578	0.3
62.80950	0.3
67.05499	2.7
69.07050	1.6
71.08606	2.1
79.05470	1.9
81.03423	0.5
81.07039	3.1
83.04973	0.5
83.08604	1.5
91.05464	0.5
93.07027	2.2
95.04955	12.1
95.08575	3.1
97.06532	0.7
97.10149	1.0
99.08057	0.9
105.07024	0.8
107.04919	0.9
107.08562	2.0
109.06518	0.9
109.10115	0.5
111.08066	0.5
113.00069	0.4
117.06982	0.6
119.08557	0.8
121.06478	0.8
121.10094	0.9
123.07998	0.7
125.09592	0.9
131.08516	0.6
133.10109	1.8
135.08034	0.7
135.11653	0.7
145.10086	1.9
147.11687	0.5
149.09615	2.1
151.11137	1.9
151.48453	0.4
159.11681	0.5
163.11194	3.6
165.12749	2.2
177.12733	0.7
187.63321	0.4
195.59058	0.4
202.94069	1.5
223.13263	2.9
263.71484	0.4
275.20038	2.5
293.21094	100.0
310.48175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.45245	2.0
53.74949	1.7
55.01872	43.1
55.05508	28.0
55.83799	1.9
57.03421	2.2
57.82925	1.8
66.25861	1.9
67.05504	38.4
69.07066	18.1
71.04980	3.6
71.08629	9.2
79.05487	45.8
81.03427	2.9
81.07050	36.5
81.19078	2.3
83.04974	14.1
83.08620	15.6
91.05468	19.3
93.07030	41.3
95.04932	14.6
95.08582	16.8
97.06526	76.1
97.10150	19.5
98.34168	2.1
99.08077	4.6
105.07013	31.4
107.04942	23.8
107.08585	46.5
109.06493	4.2
109.10139	18.4
110.78269	2.2
111.07993	3.0
116.13074	2.1
117.07004	5.0
119.08547	24.1
121.06523	2.5
121.10117	20.4
123.08052	8.0
123.11678	5.1
125.09626	16.3
131.08556	11.7
133.10109	22.6
133.25276	2.8
135.08032	12.0
135.11642	8.0
137.09579	2.5
139.07576	2.5
145.10100	10.7
147.11685	11.3
149.09593	71.1
151.11139	8.8
159.11665	4.1
161.13232	3.5
163.11160	3.7
163.14859	3.2
165.12741	3.3
167.23514	2.1
171.11722	2.5
173.13246	4.2
179.14351	3.2
187.11119	2.1
189.11131	4.0
191.14240	3.9
209.15504	3.2
222.44969	2.4
229.19583	3.4
247.20627	2.6
257.18954	13.4
258.96265	2.6
275.20020	100.0
293.18967	11.8
293.21182	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01857	2.7
55.05512	33.4
57.03430	2.2
57.07073	18.9
67.05500	27.5
69.07063	9.2
71.05000	2.9
71.08617	6.9
78.81272	1.4
79.05489	33.7
81.03423	7.3
81.07050	22.8
82.62180	1.5
83.04964	3.3
83.08629	12.6
84.62800	1.5
85.06538	13.3
91.05466	22.8
93.07030	24.4
95.04958	43.4
95.08585	17.5
97.06526	3.6
97.10172	12.8
103.58450	1.6
105.07018	26.7
107.04944	47.8
107.08574	42.8
107.23030	1.5
109.06509	9.4
109.10151	16.2
111.08071	3.5
117.07037	11.6
119.08557	20.2
121.06445	2.4
121.10096	12.8
123.08031	2.6
123.11737	1.7
125.09600	12.0
129.06976	1.6
131.08521	12.5
133.10110	21.8
135.08041	5.8
135.11670	6.4
137.09593	23.7
145.10097	9.5
147.11655	14.8
149.09602	40.0
149.13234	1.5
151.11145	15.0
159.11708	11.2
161.09604	2.3
161.13287	1.9
163.11139	15.7
169.10094	2.2
173.13251	7.2
175.11177	9.1
177.12750	9.3
187.11160	3.2
187.14706	2.0
189.11230	8.0
189.95502	1.7
191.14291	13.3
223.13286	11.7
257.18945	8.1
275.20010	100.0
293.21033	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	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.76754	2.5
55.01862	5.3
55.05284	2.5
55.05508	32.0
56.59913	2.1
57.03423	6.0
57.07053	13.0
59.12906	2.3
67.05496	48.7
67.94110	2.8
69.03405	2.4
69.06786	2.1
69.07057	33.3
71.04979	5.1
71.08247	3.7
71.08613	82.2
78.25108	2.3
79.05479	41.4
81.03391	3.6
81.07053	57.3
83.04966	4.5
83.08609	33.3
85.06544	4.2
91.05449	43.3
93.07018	68.8
95.04940	39.2
95.08584	49.0
97.06505	5.2
99.08065	42.4
105.06995	35.0
105.48455	2.8
107.04932	72.7
107.08563	35.7
109.06516	5.7
109.10139	17.8
111.08057	14.3
113.38199	2.5
117.06979	21.0
119.08559	25.3
121.06500	14.6
121.10126	25.3
123.07980	4.9
129.06943	3.4
131.08524	25.8
133.10109	30.3
135.07977	4.9
135.11685	13.2
137.09575	5.1
139.07550	4.4
143.08482	5.1
145.10101	23.3
147.11661	15.4
149.09586	19.0
149.13239	12.4
151.11142	54.3
157.10078	3.0
159.11644	28.1
161.09573	58.4
161.13171	9.2
163.11133	50.2
165.12680	3.7
169.10095	2.6
173.13213	15.1
175.09586	4.6
175.14763	4.1
177.12695	61.6
185.13246	5.5
203.14305	3.7
209.11699	4.6
210.94301	2.6
219.17435	5.7
221.15363	5.7
229.19473	16.2
239.17928	3.7
247.20569	4.2
257.18854	19.4
275.19965	100.0
293.21017	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.83304	2.1
51.26725	2.2
54.15028	1.9
55.01871	3.3
55.05496	14.9
59.13706	2.3
65.26218	2.2
67.05486	25.1
69.03413	3.9
69.07059	37.5
71.04979	4.1
78.08949	2.5
79.05089	2.3
79.05464	18.8
81.03407	15.0
81.07043	39.2
83.04955	11.0
83.08621	22.0
85.06517	4.6
91.05459	19.7
93.07024	29.9
95.04954	14.3
95.08573	28.2
97.06497	6.3
97.10148	3.0
99.04428	13.3
99.08096	5.2
105.07003	27.2
107.04938	9.8
107.08597	27.0
109.06498	14.5
109.10153	12.6
111.08072	5.6
117.07019	3.8
119.08572	26.7
121.06472	5.7
121.10147	20.7
123.08031	13.9
123.11652	4.9
125.09595	19.9
131.04829	2.4
131.08563	15.1
133.10107	24.4
135.08040	5.0
135.11639	10.5
137.09587	5.5
142.24863	2.5
143.08539	3.3
145.10109	16.8
147.11691	16.1
149.09608	16.0
149.13277	3.3
151.11142	3.1
155.08560	3.3
157.10124	5.4
159.11650	11.7
161.09645	3.5
161.13362	3.0
163.11130	9.7
165.12788	3.8
167.72784	2.7
169.10156	3.9
171.11662	5.6
173.13297	6.2
175.11240	3.3
183.11722	3.7
185.13225	3.6
187.11127	4.6
197.13269	4.0
203.03400	4.9
215.14291	3.1
218.40715	3.6
247.16954	3.4
257.15378	12.6
257.19006	6.2
275.16586	5.6
275.20023	53.3
293.13852	5.0
293.17514	11.0
293.20972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.03395	0.8
55.01868	2.4
55.05517	11.9
57.03432	14.9
63.52625	1.0
65.93968	1.1
67.05492	21.8
69.03419	1.7
69.07059	12.8
71.04984	4.7
71.08624	2.8
73.13420	1.1
79.05479	27.5
81.03393	2.2
81.07048	28.9
83.04958	2.4
83.08599	10.5
85.06522	7.1
91.05466	26.6
92.17458	2.3
93.07027	44.4
95.04950	7.5
95.08594	27.7
97.06490	5.6
97.10152	7.5
98.10535	1.1
99.08068	4.8
102.47279	1.2
105.07023	33.4
107.04940	1.8
107.08578	57.8
109.06491	8.7
109.10118	11.1
111.08070	2.4
113.09620	1.3
117.06978	9.2
119.08550	32.0
121.06480	1.7
121.10129	19.0
123.08047	5.9
125.09601	6.4
129.06970	5.2
131.08551	18.0
133.10112	24.7
135.08069	2.1
135.11670	6.8
137.09618	8.0
141.07074	1.4
143.08565	5.9
145.10106	16.7
147.07994	1.7
147.11668	20.1
149.09552	9.4
149.11597	1.2
149.13077	1.1
151.11150	11.3
151.38573	1.2
157.10127	6.0
159.11665	15.0
161.09592	2.0
161.13194	11.5
162.54726	1.1
163.11150	7.3
165.09015	1.2
168.61214	1.3
171.11676	2.6
173.13226	6.5
175.11226	4.0
175.14812	4.8
177.12770	1.7
183.11658	4.7
185.13251	17.9
189.11191	2.1
191.14281	1.5
197.13274	1.3
201.16399	2.4
203.14285	15.3
211.14986	1.8
219.17375	19.9
221.15390	18.2
229.19528	1.9
239.17929	6.7
247.20479	1.7
257.18890	18.2
275.20010	100.0
291.74246	1.3
293.21024	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01855	4.3
55.05499	21.5
57.07074	2.4
57.75723	1.6
67.05489	29.9
69.07053	26.5
70.04059	16.7
71.04967	8.4
77.19014	2.0
79.05474	33.2
81.03400	3.8
81.07045	57.7
83.04966	3.9
83.08620	15.1
85.06503	3.1
91.05457	23.1
93.07019	32.5
94.05489	1.7
95.04926	17.1
95.08575	34.3
95.57185	1.8
97.06474	14.6
97.10152	20.3
99.04409	2.4
99.07195	2.0
99.08022	2.2
105.07021	35.3
107.04945	7.2
107.08575	73.8
109.06495	16.3
109.10136	19.9
111.08055	4.1
117.06998	11.6
119.08556	38.1
121.06503	3.9
121.10099	18.1
123.08021	9.0
123.11674	4.3
125.01567	2.6
125.09565	17.3
127.11188	2.2
129.07022	2.1
131.08517	14.6
131.24554	2.0
133.10121	29.6
135.07993	10.0
135.11688	13.6
137.09586	11.1
139.11160	3.3
140.78224	2.0
143.08469	2.7
145.10071	19.5
147.11670	22.0
149.09543	17.1
149.13235	4.4
150.16405	2.0
151.11162	9.5
157.10124	4.1
159.11674	13.6
161.13214	4.2
163.11098	15.6
165.12724	3.0
169.10034	2.3
171.11646	3.9
173.13234	3.3
175.11166	2.6
177.12738	2.2
187.11098	2.2
187.14754	4.0
189.11195	7.1
189.12720	3.5
192.04857	1.9
197.13185	2.6
213.16307	2.0
229.19429	3.4
239.17943	4.0
247.20526	3.9
252.08908	12.7
257.18881	15.2
267.26120	2.3
270.02805	2.0
275.19986	100.0
293.17435	9.1
293.20999	60.7
293.97467	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
53.82330	1.4
55.05498	6.3
59.61774	1.3
62.17936	1.4
63.09886	1.4
67.05495	80.0
69.07053	11.3
76.59274	1.3
78.85124	1.3
79.05472	6.5
79.74084	1.6
81.07045	100.0
83.08593	9.9
91.05444	2.3
93.07029	13.1
93.51207	1.4
95.08590	97.8
97.06538	1.8
97.10136	3.5
99.63931	1.6
102.75464	1.4
105.07026	3.6
107.08581	11.5
109.10128	41.6
117.06979	2.4
121.10095	11.4
123.11667	27.4
131.08549	6.7
133.10086	3.5
134.35191	1.5
135.11688	8.6
137.09570	2.5
137.13206	12.9
142.96902	1.7
145.10092	3.3
147.11681	5.8
149.13182	3.0
151.11131	2.5
151.14787	6.4
156.67543	1.7
159.11617	5.8
163.11133	3.3
163.14775	3.7
165.08784	1.6
173.13254	12.7
177.12680	2.2
187.14717	4.9
191.14334	1.9
205.15802	2.5
209.15320	1.7
237.18523	2.7
241.91444	1.5
243.21014	10.9
259.49661	1.8
261.22034	14.5
267.79276	1.8
293.21460	3.9
293.24631	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	293.2474
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
54.66940	1.3
55.05507	8.7
57.07085	3.3
59.06134	2.2
64.28268	1.4
65.03933	1.7
66.97440	1.6
67.05162	3.6
67.05507	81.5
68.05075	1.4
69.07078	14.8
79.05495	9.0
81.07060	100.0
83.04978	1.8
83.08622	10.9
91.05493	2.3
93.07014	11.7
95.04919	2.2
95.08018	3.5
95.08604	90.7
97.10205	2.2
105.07030	1.8
107.08595	9.0
109.06501	2.3
109.07652	2.5
109.10156	48.8
110.07171	2.0
117.07015	1.8
119.08546	8.3
121.10145	9.8
123.08072	2.2
123.11712	30.4
131.08521	7.1
133.10161	2.6
135.08049	1.9
135.11702	8.0
136.42792	1.4
137.09705	1.9
137.13266	9.3
142.12686	1.7
145.10081	3.4
147.11658	3.5
149.13251	4.0
151.11235	2.8
151.14853	2.1
159.11743	2.7
161.13251	2.5
163.11177	1.8
163.14783	3.2
165.12740	2.2
173.13234	3.3
175.37936	1.7
177.12766	2.3
187.14952	2.0
191.14301	2.6
205.15918	1.8
208.25302	1.8
240.76460	1.7
243.21136	6.7
261.22183	6.8
293.12332	5.2
293.21118	22.0
293.24722	42.6
293.29550	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	294.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93524	13.2
56.96548	1.2
62.80478	0.8
64.11589	1.0
65.44654	0.9
69.03388	1.5
71.92997	4.6
72.93772	11.1
73.02925	1.1
73.06545	1.0
73.94570	1.7
74.95342	0.9
81.03396	1.3
83.31088	1.1
84.04475	2.4
84.08131	24.3
85.02890	5.5
86.09689	5.5
88.03971	2.1
89.94029	5.9
90.94817	13.8
97.02869	1.9
98.97565	1.5
105.93510	1.6
107.95086	8.2
108.95849	1.7
115.95556	4.7
116.96336	7.2
116.98582	1.3
117.97111	1.1
118.94196	1.3
120.08078	23.8
125.96123	7.2
127.03926	1.3
128.96332	1.5
129.10194	1.8
130.04993	12.7
130.08670	1.2
131.64771	1.0
131.94998	1.7
131.98685	4.5
132.10161	2.6
132.95815	2.4
133.96600	32.5
134.97403	2.3
135.94531	1.5
142.97914	1.3
143.98701	1.4
144.95729	1.8
146.00258	6.8
147.07642	9.4
149.96094	4.1
150.96913	2.3
151.97646	100.0
153.95580	2.5
158.00230	1.8
159.98210	1.6
162.96872	5.2
163.00554	3.9
164.01244	10.0
167.97093	1.9
172.01799	2.3
177.99217	25.2
185.99789	4.6
190.02841	39.4
191.03769	1.2
196.00266	1.7
204.00810	4.7
205.01636	1.7
219.01852	1.4
219.07825	1.7
222.01767	5.0
227.06670	7.9
230.03456	1.3
230.13895	7.3
234.05554	5.7
248.14774	1.4
252.06494	5.6
258.13422	5.3
276.14349	11.9
277.11682	1.2
294.14590	6.6
294.18030	2.5
313.15244	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	294.1544
Annotation	CHEBI:43892
Peak:m/z	Relative Intensity
55.93509	2.3
56.26622	1.2
57.03412	2.0
60.04521	1.3
60.81686	1.1
65.09753	1.2
69.03432	10.5
69.07063	1.8
70.06590	1.4
73.49975	1.3
81.03387	3.2
84.04492	2.1
84.08131	9.2
85.02897	13.9
86.09181	2.4
86.09694	66.1
87.03193	3.3
88.03528	1.4
88.03985	19.8
90.94776	2.0
97.02877	10.4
98.06083	1.3
98.09672	10.9
99.04426	5.0
102.82985	1.2
112.03933	2.2
114.05531	2.3
116.10711	4.7
116.96353	1.6
120.08083	22.0
126.05529	1.5
127.03907	13.4
128.10699	6.7
129.10213	2.0
130.04994	8.2
130.08588	2.5
131.95001	5.3
132.10193	33.2
133.96613	2.6
138.05482	2.9
143.05768	8.4
144.10207	12.7
144.95761	4.5
146.00171	1.7
147.07607	6.6
149.96103	7.1
151.97672	9.3
151.98792	1.3
152.10771	1.6
157.96564	1.8
161.06845	12.6
161.96176	1.7
162.96863	2.0
164.10683	5.9
168.10143	2.7
173.96065	8.7
177.99265	1.8
190.02853	3.1
197.96091	1.8
204.00809	1.7
210.11250	8.6
212.12790	19.1
215.97171	2.3
230.13828	87.8
233.98148	1.9
248.14940	8.2
258.13318	43.7
275.99222	3.1
276.14371	100.0
294.00314	6.0
294.15094	9.1
294.18234	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	294.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17687	2.4
52.16737	2.5
52.27009	2.5
55.05508	32.2
57.07063	11.5
58.02959	42.2
58.06590	4.5
67.05504	32.6
69.07062	60.4
71.05003	2.9
71.08610	5.0
79.05484	11.8
81.07052	50.6
83.08614	36.7
84.08122	3.1
85.10130	3.4
91.05462	3.1
93.07011	21.6
95.08607	37.3
96.08105	3.4
97.06567	4.0
97.10160	17.8
98.09714	3.3
99.38818	3.1
100.07601	17.2
105.07015	3.9
107.08587	11.6
109.10152	21.8
114.09169	14.1
119.08520	4.7
121.10143	13.6
123.11687	6.4
124.73077	3.1
128.10710	13.3
133.10150	7.0
140.37495	3.0
140.93678	3.1
142.12294	5.3
147.11630	5.1
161.13185	3.8
173.98213	3.7
198.18687	3.1
230.62497	3.3
263.23779	5.7
276.20358	3.6
276.23206	5.6
294.21097	8.9
294.24298	86.7
294.27939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63246	0.2
54.00853	0.2
54.31488	0.2
56.54189	0.2
60.04515	0.9
61.75863	0.2
62.48233	0.2
76.16331	0.2
76.66625	0.2
81.07039	0.3
84.04500	1.9
86.09698	0.9
86.49834	0.2
93.07063	0.2
94.04028	0.2
102.05517	0.5
107.04948	0.3
120.08079	3.4
121.02848	0.9
148.03912	3.8
150.07732	100.0
151.03897	0.5
151.99403	0.2
166.08665	1.7
231.11307	0.5
277.11774	1.2
277.21899	0.3
295.08197	0.5
295.11389	6.6
295.23019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1287
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
56.05017	0.6
57.18063	0.4
69.03378	0.5
69.07090	0.5
81.03407	0.4
84.04495	29.2
85.02889	0.8
86.09692	0.7
88.30714	0.4
91.05463	0.8
93.07047	0.5
102.05542	0.8
102.85821	0.4
103.05441	2.6
107.04945	1.9
109.10145	0.5
119.04945	1.8
120.08086	100.0
125.50378	0.4
130.04988	7.0
131.04901	5.1
136.07562	18.4
147.04320	0.5
148.03929	2.9
149.05927	3.2
150.07716	2.3
151.03874	2.1
166.08609	36.1
186.09109	7.8
205.08334	0.5
207.06589	0.9
232.09656	6.7
277.11768	0.5
277.15222	0.5
278.10248	4.2
295.08145	0.6
295.12863	10.4
295.16446	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	295.1286
Annotation	BBM 2040A
Peak:m/z	Relative Intensity
55.01865	0.6
56.96552	1.0
59.61995	0.5
59.71447	0.5
68.05019	4.1
69.03418	1.4
73.02880	1.0
79.02166	3.2
80.04999	4.3
81.04517	1.3
84.08115	0.9
85.02894	2.1
86.09726	0.6
96.04420	0.9
97.02827	0.9
97.06513	0.7
98.97513	1.2
108.08057	0.6
110.07133	0.6
114.05502	9.5
115.07557	0.7
122.07124	41.2
124.07595	0.7
134.05954	0.8
134.07042	0.6
134.97885	0.7
136.07549	13.8
138.05467	0.8
140.07114	0.7
142.04973	12.8
143.00186	0.7
144.04739	7.7
150.05423	1.0
152.06979	2.4
152.08124	14.9
152.98827	0.8
153.07825	4.6
154.08595	100.0
156.04713	3.8
163.05865	0.6
164.07001	7.5
172.95189	0.8
173.01233	0.7
174.05777	8.1
175.04578	0.7
176.67387	0.6
178.08627	1.0
181.03809	0.6
182.08092	3.2
184.38293	0.5
189.00742	0.7
190.08615	2.9
191.02205	0.6
195.00026	0.6
204.10243	0.7
205.04021	0.6
206.95088	0.7
213.10106	1.4
215.11867	4.3
216.10176	1.0
217.03728	0.7
217.09335	1.3
231.11244	2.5
233.12750	4.8
250.59457	0.6
259.10660	6.3
277.11777	47.1
295.12790	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	295.1651
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
59.98353	0.5
63.82489	0.5
63.94067	0.5
74.02460	0.6
76.35396	0.6
81.07082	0.7
84.08149	2.3
85.02892	1.2
86.09692	5.5
91.05473	8.1
93.07060	0.8
97.10188	0.7
109.02849	0.8
119.04919	10.0
120.08060	0.8
121.06493	2.8
127.03904	0.8
130.08574	0.6
132.10222	2.8
136.07565	100.0
147.04405	2.6
148.03920	2.5
150.07735	10.0
151.03889	1.1
154.06123	0.6
155.07394	0.6
161.10730	1.4
169.88297	0.6
175.03941	3.9
205.06926	0.7
207.06429	5.3
231.11374	1.1
278.13803	1.1
295.11938	0.9
295.12976	1.1
295.16464	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	295.1685
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
52.46799	1.1
55.05505	9.7
57.03419	1.4
57.07071	13.0
63.83234	1.1
67.05494	18.5
69.03384	1.5
69.07056	11.5
71.04953	6.3
71.08589	5.9
71.49663	1.0
79.05487	10.5
80.25374	1.5
81.03389	1.6
81.07059	18.4
83.01301	1.9
83.04945	7.5
83.08589	7.6
85.02872	5.9
85.06522	1.8
91.05461	6.1
93.07017	9.5
95.04962	1.7
95.08576	10.5
97.06486	6.4
97.10125	6.4
99.08069	1.8
101.02335	5.4
105.07006	6.7
107.08569	12.0
109.06458	1.7
109.10123	10.0
111.04398	7.7
113.05955	1.5
115.61813	1.3
117.06976	2.8
119.08526	4.8
121.10115	5.3
123.08012	1.8
125.05954	5.8
125.09576	2.9
127.11150	1.6
129.06950	6.4
131.08540	4.9
133.06453	4.3
133.10068	4.9
135.11687	2.0
137.05916	2.5
137.09595	1.5
138.52910	4.5
139.11110	2.3
141.06946	14.9
143.08502	2.4
145.10112	2.0
147.11644	6.3
149.13184	2.1
151.11108	4.6
153.68665	1.1
154.90677	1.4
155.08513	13.8
157.10092	2.3
159.11624	5.2
161.13190	2.6
167.08536	2.2
168.09232	1.5
169.10075	8.4
171.11600	2.4
175.11136	2.0
179.08505	4.5
181.10101	2.5
183.08049	1.8
183.11655	47.4
184.07343	1.8
184.12431	12.7
188.41052	1.4
189.11147	1.6
192.09265	1.7
193.10074	6.2
195.11739	1.7
197.09566	9.1
197.13249	29.7
199.11153	3.0
205.83046	1.2
207.11618	7.5
209.15211	2.1
211.14603	1.8
215.10426	1.4
221.11575	5.1
225.12654	2.9
231.80899	1.2
235.11060	5.9
235.14774	2.0
239.10611	2.9
239.14256	6.5
242.59175	6.6
249.16287	5.7
251.17888	1.5
252.11259	1.8
253.12221	8.8
259.20438	4.9
260.55862	1.3
267.17340	10.5
277.15628	4.4
277.21536	23.2
280.14694	1.3
291.01324	4.8
295.16806	100.0
295.22504	10.0
305.04474	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	295.19
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03938	0.2
55.01852	1.9
55.05499	2.4
57.03421	0.3
57.07064	0.9
60.63710	0.2
67.05173	0.4
67.05494	5.9
69.03400	0.2
69.07058	4.3
71.04971	0.3
71.08294	0.2
71.08620	2.7
79.05488	3.5
80.98187	0.2
81.03413	0.3
81.06576	0.5
81.07048	13.9
83.04973	1.4
83.08610	4.1
85.06516	0.5
91.05460	1.8
93.07028	4.2
95.04960	0.5
95.08590	6.3
97.06514	0.5
97.10158	0.4
98.29504	0.2
99.08077	1.5
99.12879	0.2
105.07012	1.6
107.08596	3.5
109.06503	4.9
109.10145	2.8
111.04424	10.6
111.08062	1.6
117.06976	0.2
119.08553	2.4
121.06519	0.3
121.10116	4.0
123.08057	1.2
123.11686	1.5
125.05960	2.6
125.09637	0.4
131.08553	1.3
133.10114	4.2
135.08034	1.7
135.11670	4.6
136.94205	0.2
137.05960	100.0
137.13211	1.3
139.07538	1.1
143.08543	1.1
145.10091	1.7
147.08055	1.1
147.11639	3.8
149.09566	2.7
149.13229	1.4
151.07526	2.1
151.11163	2.6
153.09126	0.3
157.08807	0.2
157.10112	1.6
159.11646	1.0
161.09578	4.3
161.13211	2.3
163.11104	3.0
163.14764	0.5
165.09050	2.0
165.12816	0.9
167.10721	0.3
171.11714	0.6
173.13338	0.3
175.09744	0.7
175.11163	3.8
175.14801	1.1
177.12730	0.9
177.16327	0.3
179.10651	1.2
179.14339	0.3
181.12206	0.5
181.78459	0.2
185.13165	0.3
189.12721	1.1
193.12247	1.1
203.14311	0.3
203.17961	3.6
213.16338	1.8
221.18909	0.5
223.14661	0.3
231.17403	4.9
241.15768	0.3
241.19467	0.5
249.18456	5.7
259.16977	0.4
259.20523	1.4
277.17966	41.7
277.21490	6.3
295.19012	6.9
295.22620	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.75619	1.8
52.48991	2.0
55.01859	2.1
55.05508	36.9
56.05026	2.7
57.03421	10.3
57.07067	15.6
58.06584	9.4
67.05495	82.2
67.69279	2.0
68.05835	5.4
69.07055	54.7
71.04980	5.6
71.08612	14.6
79.05482	35.4
79.94383	2.7
80.05789	3.0
81.07045	100.0
82.07365	3.8
83.04964	5.2
83.08601	51.9
84.08144	4.0
85.06535	3.9
85.10151	3.3
91.05455	18.0
93.07026	63.6
94.07340	3.2
95.04961	4.3
95.08591	83.4
96.05293	2.2
96.08881	2.9
96.56584	2.5
97.06507	16.4
97.10150	42.8
97.50557	2.3
99.08073	5.4
105.07013	20.1
107.08572	58.8
108.08905	3.9
109.06508	5.4
109.10132	58.8
110.09655	2.3
110.10440	3.4
111.08076	10.3
111.11722	2.9
117.07011	4.3
119.08533	26.0
120.08909	2.4
121.10102	41.4
123.08051	11.0
123.11659	21.2
125.09600	15.3
131.08572	4.1
133.06567	2.3
133.10103	32.8
135.08034	3.9
135.11688	31.8
136.12045	3.7
137.09612	11.6
137.13228	3.8
138.12781	2.8
145.10124	4.9
147.11629	22.7
149.13275	20.3
151.11185	11.4
154.12233	2.5
159.11668	2.8
161.13232	14.2
163.11143	2.5
163.14806	14.3
165.12726	11.5
171.11615	4.2
173.13243	5.0
175.14748	9.3
177.08673	2.3
179.14259	5.5
187.14813	9.7
189.11227	4.6
189.16362	5.2
201.16367	2.3
207.13640	2.9
207.17458	2.9
219.20993	3.6
241.19624	11.9
245.22588	25.2
257.69833	2.4
259.20535	12.0
263.23575	26.0
277.21408	67.6
292.20724	2.5
295.24725	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2261
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01864	37.6
55.05501	24.1
56.96797	1.5
57.03423	2.5
57.07053	9.7
60.04476	1.7
67.05489	24.1
69.03417	3.8
69.07047	15.0
71.04949	2.9
71.08610	24.8
79.05472	17.5
81.03432	1.8
81.07038	42.4
83.04962	10.6
83.08599	24.2
85.06504	2.7
85.10154	9.8
91.05448	18.1
93.07018	26.9
95.04948	11.7
95.08578	26.9
97.06500	16.1
97.10147	6.9
99.04419	2.2
99.08073	13.5
99.68879	2.0
105.06997	13.4
107.08575	18.5
108.75082	2.0
109.06495	4.2
109.10132	13.5
111.08051	56.3
113.09599	11.3
117.06965	3.4
118.12362	1.7
119.08546	11.1
121.06451	1.8
121.10110	13.4
123.08037	7.4
123.11675	4.4
125.09581	9.4
127.40237	2.0
129.06966	3.2
131.08514	4.3
133.10085	22.6
135.06317	2.0
135.07980	3.0
135.11662	10.9
137.09579	2.0
137.13171	2.6
139.11108	3.2
145.10097	3.6
147.11652	16.2
149.09483	2.9
149.13242	10.0
151.08617	1.8
151.11166	14.5
151.38997	2.1
153.12666	2.1
157.10091	3.1
159.11671	3.2
161.13202	8.4
163.11116	3.9
165.12669	20.5
175.14835	3.1
179.14264	9.9
193.12141	2.5
194.75578	1.9
197.61203	1.9
221.15381	2.3
231.21042	1.9
241.19409	3.7
249.21951	4.1
259.20511	11.0
277.21545	100.0
286.34674	2.5
295.22586	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	295.2262
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.01865	3.3
55.05507	27.0
57.03429	2.4
57.07063	3.5
59.04984	2.0
60.50003	1.4
67.05497	73.5
69.03413	3.8
69.07056	21.6
71.04976	2.5
71.08619	28.1
79.05486	31.9
81.03413	12.2
81.07051	41.7
83.04956	7.3
83.08604	37.2
85.06522	6.8
86.09328	1.5
88.03627	1.5
91.05454	14.2
93.07023	44.5
95.04957	13.9
95.08593	29.0
97.06496	2.6
97.10149	50.0
97.10777	2.2
99.08080	19.4
105.07005	14.2
107.08574	39.6
109.06456	3.1
109.10138	43.4
111.08075	6.0
117.06995	2.2
119.08563	11.8
121.10126	15.0
123.08028	2.2
123.11714	6.4
125.09599	36.1
131.08548	2.1
133.10075	15.8
135.08080	3.3
135.11665	19.7
137.09637	2.4
145.10097	6.9
147.11655	9.1
149.13242	7.2
151.11133	32.3
159.11665	1.6
161.13246	13.2
163.11156	10.8
165.12753	1.7
171.10132	3.1
171.11617	3.1
173.13216	3.1
175.14822	3.4
179.14322	9.3
185.13301	2.3
189.11208	23.5
199.14777	2.2
221.15329	2.4
236.58540	1.7
241.19550	2.7
259.20401	12.0
272.54633	1.9
277.21579	100.0
295.22662	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	295.2259
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.65005	2.0
53.03947	2.0
54.27877	1.8
55.01858	3.1
55.05504	31.2
56.34475	1.7
56.36372	2.0
57.03418	4.1
57.07051	3.7
57.10202	1.8
57.40528	1.8
58.61315	1.9
67.05489	83.2
69.03416	5.2
69.07059	26.0
71.04974	4.1
71.08610	55.5
79.05471	34.8
81.00467	2.3
81.03378	4.1
81.07042	71.0
83.04955	9.1
83.08596	33.7
85.06548	3.7
85.62426	2.1
91.05459	18.9
93.07020	55.6
95.04955	10.0
95.08581	37.5
97.06516	4.4
97.10140	44.1
99.08071	33.9
105.07021	21.6
107.04964	3.0
107.08572	40.5
109.06488	10.9
109.10143	37.0
111.08039	4.4
117.06974	3.9
119.08523	17.2
121.10117	21.4
123.11670	12.6
125.09604	19.8
129.06946	3.0
131.08527	4.4
133.10097	18.9
135.08084	3.2
135.11636	21.3
139.11121	2.6
145.10138	3.0
147.11641	14.4
149.09647	2.2
149.13243	9.5
151.11139	36.4
153.12668	2.9
155.10571	3.3
159.11595	3.3
161.13200	20.4
163.11099	18.6
165.12737	4.3
171.10115	2.1
179.14259	14.0
185.13232	3.7
187.62097	2.7
189.11235	21.3
199.14734	2.9
205.64954	2.2
214.03169	2.5
228.39725	2.5
241.19522	7.8
259.20517	9.6
277.21533	100.0
295.22592	25.9
315.80969	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	295.2265
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
54.63435	1.0
54.81139	1.0
55.01867	4.2
55.05514	14.4
57.03419	1.0
57.07064	6.0
67.05502	29.4
69.03406	1.2
69.07059	19.6
71.04974	4.4
71.08628	30.7
71.48582	1.1
72.36701	1.1
78.17240	1.1
79.05483	18.1
81.03400	5.3
81.07050	28.3
83.04952	5.6
83.08611	11.7
85.06517	5.9
85.10182	8.1
91.05459	7.9
93.07037	27.3
93.21348	1.2
95.04955	12.4
95.08589	26.0
97.06507	5.9
97.10151	13.6
99.08076	18.1
105.07010	9.8
107.08583	17.0
109.06508	2.3
109.10168	17.0
111.04463	1.3
111.08082	4.6
113.09624	7.2
119.08548	6.5
121.10121	13.6
123.08057	1.7
123.11681	2.0
125.09607	5.9
127.11168	1.5
129.06969	1.5
131.08549	6.0
133.10086	7.6
135.08128	1.2
135.11711	10.9
137.05952	6.7
137.09610	9.3
137.13257	1.2
139.11174	4.9
141.12720	2.5
145.10124	4.8
147.11684	9.3
149.09604	2.5
149.13239	5.0
151.11182	19.2
153.12747	1.3
155.10696	1.8
159.11575	1.6
161.13228	6.5
163.11128	7.5
165.12712	11.5
167.10725	1.4
175.14819	1.3
179.14304	4.9
189.11177	6.1
193.15872	1.1
195.36255	1.0
221.15416	1.9
259.20563	4.5
277.18326	3.3
277.21564	46.0
295.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.05454	1.6
51.35361	1.1
52.67080	1.1
53.03944	2.3
55.01864	5.9
55.05512	15.8
57.03427	1.6
57.07067	7.3
60.23899	1.4
67.05498	35.4
69.07056	31.4
71.04967	2.5
71.08624	15.5
79.05489	25.1
80.24952	1.2
81.03410	34.8
81.07050	39.6
83.04967	16.4
83.08610	9.5
85.10171	2.2
91.05459	14.4
92.16801	2.6
93.07027	35.1
93.92443	1.3
95.04954	27.9
95.08586	17.9
97.06521	3.1
97.10167	7.8
98.52482	1.1
99.08107	9.8
105.07024	16.3
107.04927	1.8
107.08578	23.4
109.06519	7.0
109.10143	18.0
111.08086	3.4
117.07042	1.7
119.08553	10.7
121.10132	12.6
123.08083	2.0
123.11714	7.3
125.09608	3.3
127.11078	1.5
130.91635	1.4
131.08601	1.8
132.64618	1.4
133.10110	16.8
135.08041	2.1
135.11690	8.8
145.10118	7.2
147.11656	12.5
149.09627	1.7
149.13225	5.1
151.11154	34.0
153.09082	2.1
153.12715	2.2
157.10054	1.7
161.13235	10.4
163.11169	2.8
165.12688	10.3
171.11690	2.8
175.14946	2.5
179.14305	7.8
189.12701	2.4
231.21106	6.3
241.19382	5.7
249.22188	6.0
259.20551	6.4
277.21576	100.0
295.20615	8.8
295.22885	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	295.2265
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	2.0
53.19601	1.3
55.01871	16.8
55.05511	27.1
57.03442	2.3
57.07067	7.6
59.04980	1.8
63.58662	1.5
67.05137	1.7
67.05499	51.5
69.03417	3.1
69.07064	20.7
71.08626	44.5
73.11392	1.5
75.66031	1.8
76.28551	1.5
79.05484	31.3
81.03410	9.5
81.07050	49.9
83.04989	13.2
83.08612	32.7
85.10173	9.3
91.05473	23.4
93.07020	43.4
95.04954	11.8
95.08601	36.9
97.06515	13.1
97.10153	22.6
99.08078	34.9
105.07011	21.8
107.08578	34.9
109.06538	4.2
109.10139	27.1
111.08058	25.0
113.09624	4.2
117.06978	4.4
118.22205	1.7
119.08556	20.1
121.10136	17.4
123.08057	3.9
123.11712	10.7
125.09613	17.5
127.11153	1.9
127.20579	1.8
129.06956	2.1
131.08548	4.2
133.10124	19.8
135.11685	17.2
137.09613	6.4
137.13217	2.0
139.11137	4.1
145.10153	8.0
147.11668	20.2
149.09650	6.8
149.13263	10.1
151.11162	34.2
153.12688	2.4
157.10085	2.9
159.11624	3.0
161.13239	20.3
163.11143	15.8
165.12749	16.4
170.78702	2.0
171.11603	3.3
175.11200	2.9
175.14806	3.5
179.14294	12.7
182.69235	1.7
185.13278	2.9
189.11171	8.3
221.15285	2.6
241.19408	3.6
249.22168	3.5
251.82301	1.8
259.20544	9.2
274.50674	1.8
277.21585	100.0
295.22635	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.49845	2.3
52.04845	1.7
55.05511	14.0
67.05203	2.6
67.05508	33.2
69.07065	5.7
69.91779	2.0
71.08633	54.3
79.05497	33.4
81.07050	39.8
83.04993	5.0
83.08614	9.9
83.29508	1.9
85.06551	2.1
91.05463	18.0
93.07045	52.8
95.04981	9.7
95.08601	29.7
97.06536	3.6
97.10167	3.5
99.08101	27.7
105.07027	14.0
107.04958	3.3
107.08609	32.3
109.10140	18.2
111.08100	3.4
117.07066	2.6
117.86442	2.4
119.08552	11.3
121.10144	30.9
133.10136	4.0
134.28229	2.4
135.11699	32.9
137.13243	2.5
141.09035	2.8
147.11694	4.1
149.13228	13.7
151.11185	13.9
159.11748	4.3
161.09610	2.4
161.13226	10.5
163.11206	3.8
170.45380	2.3
179.14305	100.0
185.22360	3.0
221.15396	4.3
226.04395	2.5
241.19469	2.6
277.21573	81.9
291.91980	2.7
295.22888	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	295.2261
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
52.32239	1.1
53.03964	1.3
55.01871	1.5
55.05499	12.6
57.07073	3.4
67.05500	26.2
69.07053	33.3
71.04985	1.3
71.08617	1.8
79.05471	20.2
81.03396	29.2
81.07037	26.7
83.04964	11.2
83.08628	8.9
85.06515	1.5
91.05444	11.4
93.07013	29.5
95.04939	33.4
95.05488	2.1
95.08584	18.4
97.06514	1.8
97.10159	6.4
98.92610	1.7
105.07010	13.5
106.52716	1.5
107.08575	20.3
108.06718	1.3
109.06538	7.3
109.10166	8.1
111.08121	1.8
117.07012	2.9
119.08569	5.9
121.10155	9.3
123.08118	1.4
123.11718	2.7
125.09599	6.0
133.10114	15.9
135.07999	1.8
135.11702	6.5
137.05928	9.7
141.52818	1.5
143.08534	2.2
147.11693	7.7
149.13232	3.3
150.33287	1.5
150.79233	1.7
151.11153	24.8
161.13187	10.7
163.14803	2.3
165.12770	2.3
174.07460	1.6
175.14751	1.8
179.14230	1.9
189.11177	2.1
231.21135	2.3
241.19518	6.6
241.27097	1.5
259.20746	3.1
277.18307	3.1
277.21539	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	295.2261
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.34060	0.9
53.00291	1.1
53.03936	1.4
55.01859	4.4
55.05261	1.2
55.05505	23.5
56.96011	0.9
57.03422	4.3
57.07060	6.0
67.05493	65.7
69.03404	2.4
69.07053	23.7
71.04972	4.6
71.08617	59.0
79.05479	44.0
80.53326	0.9
81.03405	4.5
81.07042	67.4
81.07520	2.2
83.04960	14.5
83.08152	1.6
83.08604	24.8
85.06522	6.9
91.05456	20.1
93.07021	72.8
95.04918	9.9
95.08585	48.0
97.06506	11.3
97.10140	27.8
99.08075	34.7
105.07018	25.2
107.04941	6.4
107.08572	56.1
109.06475	4.5
109.10128	39.3
111.08048	4.0
113.09675	3.8
117.07005	5.5
119.08551	17.2
121.10113	35.7
123.08041	9.0
123.11653	6.3
125.09608	15.9
127.11118	1.8
129.06960	1.5
131.08536	6.5
133.10091	19.2
135.08029	1.5
135.11664	45.4
135.18208	1.2
137.09599	7.0
137.13162	1.6
139.11195	5.0
141.09114	4.1
143.08580	1.9
145.10104	6.0
147.11644	12.1
149.13211	15.1
151.11159	23.1
153.09053	1.1
153.12672	7.3
157.10069	2.1
159.11630	5.7
161.13220	19.6
163.11151	7.6
163.14824	2.1
165.12706	1.9
167.10710	1.4
171.11644	4.3
173.11810	1.6
173.13220	3.7
175.11067	1.2
175.14758	3.7
177.12735	4.1
179.14256	79.0
185.13240	6.1
189.11172	10.3
189.12724	3.6
189.16310	1.5
195.13708	1.3
199.14856	2.2
201.87587	1.1
221.15280	1.4
231.17334	1.0
231.21016	1.4
235.16850	2.1
241.19484	4.9
259.20526	9.9
277.21552	100.0
295.20538	5.5
295.22659	11.3
306.79263	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01861	12.8
55.05503	28.2
55.48577	2.0
57.03429	4.3
57.07067	16.6
57.31623	2.2
67.05495	67.7
69.07051	45.4
71.04982	5.7
71.08615	34.9
74.28625	2.4
79.05477	37.1
81.03423	5.2
81.07050	77.8
82.07391	4.0
83.04964	18.1
83.08626	32.7
85.06525	11.6
88.78931	2.6
91.05461	30.7
93.07023	63.0
93.29028	2.3
95.04958	13.5
95.08599	63.8
97.06514	15.2
97.10159	18.6
99.08090	29.1
105.07014	23.8
107.04928	5.3
107.08588	37.6
108.08923	3.0
109.06485	6.0
109.10139	36.5
111.08051	18.6
113.09589	3.1
117.07024	3.5
119.08556	30.8
121.06488	2.9
121.10134	30.8
121.10876	3.4
123.08047	15.0
123.11687	14.4
125.09614	16.6
131.08557	15.9
133.10109	25.1
135.07999	4.7
135.11690	33.1
137.09576	12.5
143.08528	2.7
145.10132	10.4
147.11632	23.8
149.09607	4.9
149.13187	12.6
150.13692	2.8
151.11179	27.6
153.12665	3.6
155.10646	3.8
161.13248	15.4
163.11171	10.5
165.12703	12.2
167.10558	2.9
173.13235	4.1
177.12668	2.8
179.14282	16.5
189.11215	3.5
190.95039	2.5
207.13814	3.3
241.19495	6.3
249.21989	3.7
253.19337	2.8
259.20551	13.7
277.21509	100.0
277.24170	3.8
295.24551	84.1
295.28186	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03947	2.1
54.41336	1.0
55.01860	2.5
55.05510	17.8
55.52097	1.1
57.07064	6.1
67.05505	36.6
69.07065	35.6
71.04984	1.9
71.08614	8.1
79.05492	28.1
81.03419	37.1
81.07056	45.2
83.04993	12.7
83.08618	12.7
85.06516	2.0
91.05479	12.5
93.06509	2.0
93.07045	38.2
95.04958	38.2
95.08601	19.2
97.06535	1.4
97.10162	13.9
98.98444	1.8
99.08073	3.0
105.07022	17.7
107.08587	29.1
107.14165	1.3
109.06501	8.2
109.10149	17.7
111.08064	2.0
117.06999	2.2
119.08552	13.1
121.10130	13.0
121.29399	1.4
123.08086	2.9
123.11705	8.6
125.09631	10.1
131.08629	1.7
133.10132	19.1
135.08084	2.0
135.11661	10.0
137.09644	2.8
145.10153	2.4
147.11693	12.1
149.13231	8.4
151.11182	30.3
153.09128	1.6
157.10089	2.7
159.11659	1.7
161.09602	1.5
161.13216	14.1
163.14803	2.5
165.12717	6.4
171.11685	3.1
173.13275	1.9
175.14862	2.5
179.14305	5.9
185.13344	1.7
189.11249	2.6
199.14874	2.1
207.13860	2.9
221.15337	2.4
231.21156	3.3
241.19499	7.5
249.22124	2.9
251.69720	1.3
257.73630	1.5
259.20535	6.7
264.89566	1.4
277.21606	100.0
295.20929	8.7
295.23291	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	295.226
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.53776	3.6
54.94453	3.9
55.01859	7.0
55.05500	20.1
57.07057	7.5
67.05486	58.1
69.07048	31.3
71.08609	69.1
71.36093	4.0
75.17296	4.2
75.45140	4.0
79.05471	32.2
79.54733	4.4
81.07024	57.2
83.04962	6.3
83.08606	23.9
85.10140	8.6
91.05459	29.8
93.07022	45.2
95.04919	9.5
95.08593	42.6
97.06487	5.9
97.10130	8.2
99.08068	38.1
105.07015	22.1
107.08556	44.1
109.10142	27.3
109.63888	5.0
119.08546	21.4
119.35079	4.7
121.10128	32.5
123.11714	7.5
125.09550	7.1
131.08504	6.7
133.10121	18.8
133.30664	4.2
135.11693	35.9
135.12555	5.0
145.08087	5.6
145.10091	10.7
147.11658	17.7
149.13246	7.6
150.57796	4.7
151.11168	34.1
161.13202	10.9
163.11140	20.5
163.14822	10.3
179.14293	28.8
199.14832	5.7
240.61066	4.6
259.20294	7.4
277.21555	100.0
295.20612	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	295.2625
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
50.29105	2.2
55.05508	48.5
56.41018	2.4
57.07068	28.8
67.05497	54.6
69.06698	5.1
69.07055	100.0
69.89515	2.3
71.08629	21.0
78.68963	3.2
79.05479	18.0
81.07044	95.7
83.04964	12.5
83.08604	87.5
85.06530	4.0
85.10188	2.8
85.36507	2.5
91.05451	16.8
93.07025	33.7
95.08587	94.4
97.06506	10.8
97.10152	77.5
99.08074	3.2
101.76695	2.6
105.07028	24.6
107.08587	34.9
109.10126	56.1
111.08085	12.0
111.11689	16.9
113.09627	3.5
117.80109	2.9
119.08538	35.7
121.10114	35.6
123.07965	3.0
123.11684	24.7
125.09621	14.4
125.13299	4.1
127.05147	2.5
129.09090	4.3
133.06493	3.2
133.10091	41.8
135.11649	27.2
137.09544	4.7
137.13202	10.7
139.11131	3.4
141.12743	3.0
143.34335	2.5
147.11661	28.0
149.13237	16.0
151.11172	12.9
152.83713	2.4
153.12753	4.2
157.12216	2.9
161.13205	27.6
163.14780	16.8
165.12769	4.3
165.16426	4.6
167.14241	6.1
175.14771	12.9
179.14314	6.1
181.15944	3.0
189.16318	12.1
217.19533	3.0
221.22664	5.1
245.22607	55.4
263.23624	73.6
277.21494	11.6
295.22806	5.4
295.26318	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	296.066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09237	0.5
60.08146	2.2
66.58015	0.5
68.57974	0.6
68.98080	0.6
70.41546	0.6
71.07372	0.9
86.09702	21.1
90.48489	0.6
94.24593	0.6
104.10738	100.0
132.34418	0.6
216.19919	0.6
236.99234	24.4
296.06583	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92279	1.4
54.93825	1.8
66.62990	1.5
69.96162	14.4
79.05534	1.4
81.07053	5.8
83.08559	2.0
84.36272	1.5
91.05386	1.4
91.74017	1.5
109.27119	1.5
110.07200	1.4
119.01913	3.4
123.59026	1.4
125.27103	1.5
131.96112	11.1
149.97179	16.4
197.23770	1.4
207.96234	2.9
214.09914	1.6
231.96271	10.3
232.11011	13.4
249.06282	1.4
249.97234	47.5
255.10646	2.1
255.96384	2.4
273.97205	51.3
274.12073	2.6
279.23242	5.7
291.98318	100.0
297.24246	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	297.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	0.7
62.45659	0.4
64.13520	0.4
64.18246	0.4
67.05501	0.4
69.07056	0.6
72.42384	0.5
75.42973	0.5
81.03382	0.8
81.07033	1.0
83.08639	0.5
91.05439	0.7
92.01642	0.5
93.07010	0.9
94.87482	0.4
95.08577	2.0
97.02890	0.5
104.47526	0.5
105.06971	0.5
107.04919	2.7
107.08549	1.0
117.86758	0.5
123.04430	0.6
125.00540	0.8
133.05220	4.6
133.10143	0.6
137.06046	0.5
139.11201	0.6
145.10043	0.7
148.02213	0.4
159.11644	0.6
163.08614	2.1
165.02406	5.5
165.05377	0.5
166.03169	1.0
169.09990	0.5
175.08678	5.1
181.08614	0.6
194.02699	100.0
195.03520	1.1
196.04253	0.6
197.13266	0.5
205.06555	0.6
207.06488	1.0
215.03769	0.5
223.14777	0.6
237.09074	3.8
240.03265	9.0
251.04750	0.9
251.17935	0.6
256.26355	0.7
264.44867	0.5
265.08743	0.7
279.13452	0.8
297.05396	25.9
297.11124	2.0
297.14450	2.6
297.18381	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	297.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57357	0.4
55.63751	0.5
56.96566	0.4
57.07065	0.5
57.55576	0.4
62.08387	0.4
69.03389	1.0
73.02919	0.5
73.06537	0.5
81.04529	5.4
84.08109	2.1
85.02883	2.6
95.08582	0.6
97.02859	1.3
98.97568	1.2
99.04459	0.6
107.06081	0.7
109.02861	1.0
110.07172	0.8
116.98604	0.7
122.07124	100.0
123.07913	2.1
134.99698	0.9
140.08224	0.5
141.33929	0.5
145.07570	1.1
147.03252	0.8
147.09154	0.6
148.04265	1.0
150.06592	0.8
151.03526	0.7
151.08435	0.5
155.04597	0.6
158.99614	1.1
163.08633	4.1
163.09753	0.6
164.05174	0.9
173.02689	0.9
177.00803	0.5
188.11763	2.9
189.00751	0.7
189.04355	0.6
195.06137	0.7
205.02840	1.3
205.14450	2.4
207.06860	0.5
216.06398	0.9
219.08105	0.6
223.03902	3.6
233.08452	0.6
233.13884	0.7
237.05515	0.6
251.09666	0.9
269.10492	3.7
277.08453	4.2
293.93671	0.5
297.10132	45.8
297.14316	8.4
309.08636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19387	0.4
67.05484	1.0
69.07057	0.6
71.05013	0.4
81.07040	1.9
83.08606	0.4
93.07030	0.8
95.04945	1.0
95.08578	2.5
97.10154	0.5
99.08041	0.4
105.03385	62.5
105.07009	0.9
107.08588	0.8
115.05472	0.5
118.36864	0.4
119.08511	0.5
121.06480	0.6
130.06516	14.0
134.05988	2.4
135.11659	0.5
140.75430	0.5
145.10056	0.6
146.04872	0.8
146.05991	20.2
147.08015	0.5
149.09633	0.6
157.07585	8.8
157.10121	1.0
158.05991	100.0
171.11653	0.5
183.11737	0.5
223.14783	0.6
251.17979	0.5
265.08493	0.9
279.11221	20.1
279.23148	0.8
297.12195	3.2
297.18433	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1844
Annotation	Diethylstilbestrol dimethyl ether
Peak:m/z	Relative Intensity
52.91846	0.5
55.05500	1.4
57.07072	2.6
67.05482	3.8
69.01809	0.7
69.05943	0.6
69.07050	5.0
71.04969	0.6
71.08621	3.9
78.62319	0.6
79.05463	2.8
81.07053	6.4
83.04968	2.6
83.08591	3.5
85.06503	0.9
91.05472	1.2
93.07027	2.6
95.08603	8.3
97.06487	5.6
97.10140	2.7
99.04385	0.8
99.08086	2.7
105.06984	1.5
107.08551	3.2
109.06474	0.8
109.10136	5.5
119.08549	3.0
121.10111	3.7
123.08012	0.8
123.11620	0.8
129.06998	2.7
131.08540	4.5
133.06409	1.2
133.10092	1.2
135.08011	0.8
135.11697	1.1
135.74597	0.7
137.09598	3.3
143.08563	7.3
145.06468	13.5
145.10146	3.5
147.11665	0.9
148.04176	1.5
149.09627	1.5
149.13240	0.9
155.08502	1.0
157.10089	2.7
159.08018	53.9
159.11566	1.1
169.10091	1.5
171.07967	1.5
171.11653	7.5
181.10072	3.0
183.11543	0.9
185.09608	6.0
195.11655	10.1
197.09698	0.9
197.13251	0.9
199.11047	0.8
209.09531	0.9
209.13193	1.5
211.11096	4.1
221.13202	0.9
223.11285	0.7
223.14735	1.5
225.12692	0.8
237.12788	1.0
239.14244	2.5
244.39134	0.8
251.17902	1.5
256.26233	7.2
265.08591	0.9
269.18658	0.7
279.17346	5.4
279.22974	6.6
294.73151	0.8
297.18442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2418
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
55.05493	12.7
57.07071	2.8
67.05148	2.7
67.05486	53.4
69.03016	2.3
69.07052	25.2
71.04967	18.1
71.08602	4.7
76.52779	2.0
79.05482	17.5
81.06602	3.8
81.07043	88.0
83.08601	12.8
85.06506	4.8
91.05455	11.0
93.07028	22.2
95.04916	2.6
95.08585	100.0
97.06516	8.3
97.10136	12.6
99.08087	11.1
105.07011	9.1
107.04916	2.6
107.08568	18.0
109.10133	48.7
111.08057	4.2
111.11700	2.7
119.08539	10.2
121.10110	25.8
123.11697	17.6
125.09615	3.6
131.08504	4.8
133.10091	15.1
135.08070	4.0
135.11703	15.3
137.09618	2.6
137.13188	9.3
145.10114	3.5
147.11603	16.9
149.09590	3.5
149.13281	8.1
151.11221	2.6
159.11674	2.9
161.13187	13.4
164.93497	2.7
165.12759	3.9
169.12054	2.7
173.13228	3.4
175.14761	2.1
181.12221	2.0
191.67709	2.2
217.16808	2.2
243.21024	8.5
251.18094	2.8
256.26132	3.1
261.22058	16.9
279.23135	38.6
297.18475	19.1
297.24146	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	297.2422
Annotation	9-Hydroxy-10E,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.13256	1.8
52.92780	1.9
55.05498	9.2
56.46593	2.0
57.07070	13.1
64.18550	2.1
67.05505	41.7
69.07065	15.7
71.08624	76.7
73.29790	2.0
79.05472	12.3
81.07055	45.6
83.05017	3.7
83.08637	16.6
85.06508	2.4
85.10173	36.0
91.05476	11.5
93.07045	16.6
95.08592	49.6
97.06518	3.0
97.10176	5.3
99.08085	46.4
105.07007	11.8
107.08595	17.2
109.10143	17.4
111.08054	3.2
113.09624	29.2
119.08559	4.8
121.10151	16.7
123.11703	12.4
125.09577	2.8
131.08514	5.3
133.06445	3.4
133.10132	21.2
135.11676	10.9
137.13246	3.1
145.10100	2.6
147.11653	27.5
149.09607	3.7
149.13260	5.3
151.11285	2.5
151.14880	2.3
161.13226	3.3
163.11150	4.5
163.14844	9.0
165.12720	9.7
173.04256	2.2
181.15862	4.8
199.57172	2.2
233.19194	3.0
243.21136	5.1
261.22125	14.4
267.50266	2.1
279.23138	100.0
297.18286	8.7
297.24008	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	297.242
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
50.52754	1.6
55.01874	4.7
55.05511	25.5
57.03429	2.5
57.07066	12.0
57.31943	1.6
61.23504	1.9
67.05496	78.9
69.03410	3.8
69.07059	48.0
70.97583	2.0
71.04980	2.5
71.08614	3.8
79.05478	24.9
81.07047	98.2
83.04964	8.4
83.08610	24.4
85.06531	4.5
91.05478	3.4
92.16907	3.9
93.07018	37.7
95.08589	78.7
97.06517	10.6
97.10150	44.9
99.08088	2.9
101.90459	1.9
105.06998	8.5
107.08582	31.3
109.06519	2.3
109.10142	45.2
111.08055	3.0
111.11651	2.7
117.06989	2.7
119.08550	3.0
121.10130	24.7
123.11690	18.4
125.09601	21.6
131.08574	4.8
133.10104	5.0
133.65224	2.2
135.08064	4.5
135.11661	24.2
137.13239	4.9
139.11168	11.7
145.10132	2.7
149.13252	9.5
151.14806	2.7
153.12698	2.9
161.13292	3.6
163.14816	2.4
169.12180	2.2
173.11777	2.6
173.13164	7.1
177.16246	2.3
189.11249	11.3
205.15823	2.6
243.20937	3.9
261.22083	21.3
279.23126	100.0
297.18530	3.7
297.24200	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	297.2418
Annotation	9-Hydroxy-10E,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.05477	2.1
62.26757	1.9
62.72886	1.5
67.05486	20.6
69.07052	12.0
71.08615	100.0
75.56093	1.9
79.05463	4.9
81.07039	37.4
83.08615	4.5
91.05447	4.5
93.07031	11.5
95.08591	25.2
97.06522	3.1
97.10120	2.5
99.08070	64.4
99.97356	1.9
105.07001	11.2
107.08541	4.6
109.10133	11.0
117.81219	1.9
119.08554	3.1
121.10109	11.5
127.11153	2.7
131.08484	2.7
135.11674	8.7
137.09644	2.3
137.13242	3.0
145.10094	3.2
147.11641	33.9
149.13205	2.6
151.11298	2.3
151.14778	3.6
153.12677	3.6
163.11121	3.2
163.14790	11.6
165.12715	12.0
167.14220	2.8
173.13231	2.9
174.26996	2.0
181.15808	4.1
243.20988	8.5
261.22095	13.4
279.23123	64.2
297.24142	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	297.2423
Annotation	9-Hydroxy-10E,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.30870	2.3
55.01870	4.1
55.05507	39.4
57.03422	3.3
57.07078	5.4
57.15228	2.5
67.05504	61.2
69.07065	44.7
71.08607	10.6
79.05513	23.5
81.07049	69.5
83.04954	6.7
83.08626	42.0
85.06541	5.4
91.05464	6.5
92.16973	3.5
93.07027	22.3
95.08597	55.3
97.06548	11.0
97.10173	67.1
99.08081	3.6
105.07031	3.9
107.08593	39.2
109.10165	43.2
111.08083	6.4
113.04076	3.4
114.67001	3.1
119.08582	3.2
121.10126	12.6
123.11667	16.1
125.09614	42.0
133.10103	6.4
135.11726	24.1
137.13222	5.9
147.11667	3.7
148.76813	2.8
149.13187	3.6
153.12729	19.2
156.33264	2.9
161.13235	4.1
183.13818	4.7
189.11243	16.4
209.15508	3.2
243.21065	4.6
250.41339	3.1
261.22040	21.6
279.23157	100.0
297.24261	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9-Hydroxy-10E,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.71191	1.9
53.75712	1.8
55.05510	24.6
57.07078	9.1
57.92086	1.8
59.06121	1.9
67.05498	66.3
69.03426	3.1
69.07063	43.2
70.07372	2.6
71.04993	2.7
71.08626	67.9
79.05483	16.1
81.07057	77.5
82.07394	2.2
83.04971	4.7
83.08607	26.5
85.02894	2.3
85.06525	3.5
85.10182	4.0
91.05471	8.7
93.07047	23.2
94.21472	2.3
95.08594	66.3
97.06509	5.1
97.10151	35.2
99.08077	41.9
105.07039	8.9
107.08587	30.7
109.10145	35.5
111.08044	4.9
111.11719	2.6
113.09656	3.3
117.07002	2.0
119.08588	9.6
121.10151	19.8
123.08030	3.2
123.11673	14.5
125.09613	17.3
125.89720	2.0
131.08563	8.5
132.32944	2.3
133.10133	5.3
135.07962	2.7
135.11644	22.1
137.13232	10.7
139.11200	5.1
140.66544	2.7
145.10123	2.4
147.11664	20.2
149.09612	2.5
149.13185	5.3
151.14778	4.4
153.12682	9.5
156.17632	2.2
159.11716	3.2
161.13223	4.6
163.11154	3.9
163.14783	10.1
165.12732	9.9
173.13199	4.3
177.12624	2.5
181.15898	2.9
189.11229	9.4
199.90399	2.3
243.21126	12.4
250.39209	2.3
256.26315	11.7
261.22018	28.4
279.23004	100.0
297.26651	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	297.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66174	3.9
55.05509	41.9
56.85064	4.6
57.07073	67.9
67.05496	49.4
69.07059	100.0
71.08602	79.3
79.05493	9.6
81.07040	93.6
83.04959	6.7
83.08605	74.7
84.10625	5.1
85.06480	5.2
85.10172	26.9
93.07023	35.9
95.08596	74.9
97.06517	33.1
97.10138	64.0
97.42745	5.2
99.08083	12.9
100.01490	5.0
105.45811	5.3
107.08573	39.4
109.10131	42.5
111.08048	13.6
111.11684	27.0
112.43665	5.2
121.10120	72.5
123.11722	9.0
125.09597	27.3
125.13297	6.3
135.11676	60.1
137.13260	7.0
139.11234	7.3
147.11678	12.2
149.13248	31.5
151.17470	5.8
153.12698	7.1
158.31842	5.8
163.14738	12.9
168.35931	5.8
177.16362	6.9
247.24147	61.0
256.26285	41.0
261.22003	8.5
265.25259	60.6
279.23108	55.8
297.27814	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	298.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90912	0.6
54.32473	0.6
56.05013	0.7
59.98154	0.6
60.08148	1.0
60.81745	0.7
64.17521	0.6
69.14993	0.7
86.09219	1.3
86.09689	22.4
88.78312	0.8
104.10726	100.0
105.11063	1.6
106.11162	1.2
208.82932	0.7
237.99603	0.8
238.99045	21.5
298.06415	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0965
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.20341	0.1
59.44535	0.1
60.22256	0.1
61.01142	4.7
62.31606	0.1
62.60384	0.1
64.00127	0.1
66.79431	0.1
69.03428	0.3
75.02696	2.0
81.15247	0.1
86.03580	0.1
88.23092	0.1
97.02878	1.4
98.97580	0.2
99.33025	0.1
103.02159	0.3
136.06163	100.0
145.03159	1.2
163.04211	0.9
292.98306	0.2
298.09625	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1183
Annotation	Janex-1
Peak:m/z	Relative Intensity
55.05497	1.2
57.07057	0.3
57.80772	0.3
63.06659	0.3
70.54517	0.3
81.07030	0.3
84.04556	0.2
92.17320	0.4
101.06004	1.4
112.38142	0.2
119.06998	0.5
136.06160	0.3
138.05513	2.1
161.07074	0.3
211.08458	0.4
221.07040	1.9
235.08633	2.1
237.08823	0.3
238.09694	0.6
251.08052	1.6
252.11227	1.5
253.09691	1.4
257.26660	0.4
262.09683	4.3
263.08105	6.1
265.08459	0.4
279.10028	1.5
280.10767	10.1
281.09155	1.7
298.11813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3098
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
57.07054	4.6
58.02958	1.4
60.04489	0.8
69.07042	1.4
71.08615	1.6
81.07050	1.2
85.10127	0.9
88.07607	2.0
93.61464	0.7
95.08588	0.8
102.09165	6.8
105.86819	0.7
109.10176	1.0
111.59739	1.0
114.39664	0.8
116.10715	2.0
134.24498	0.9
195.58020	0.9
239.00151	0.9
256.26227	1.2
257.26517	5.0
280.23483	1.7
298.27469	4.4
298.30963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2001
Annotation	Totarolenone
Peak:m/z	Relative Intensity
55.05507	5.4
57.07076	5.6
59.04978	1.1
64.59499	0.8
67.05487	4.0
69.03397	1.3
69.06709	0.8
69.07061	14.0
71.08598	1.2
79.05484	5.1
81.03390	1.5
81.07056	10.6
82.17886	0.7
83.04980	6.8
83.08600	5.3
85.10188	0.9
87.70210	0.9
91.05459	4.6
93.07023	6.9
95.04973	2.7
95.08587	12.7
95.58558	0.7
97.06512	2.7
97.10155	3.5
105.07013	7.9
107.08577	20.8
109.06491	3.7
109.10161	6.9
111.08062	1.6
117.06972	1.6
119.08575	15.1
121.06476	1.3
121.10121	7.1
123.08015	3.9
123.11688	3.5
129.06981	1.2
131.08562	7.4
132.05667	1.7
133.06454	0.8
133.10115	16.0
135.08035	8.1
135.11670	3.2
137.09627	3.1
139.11172	1.0
143.08545	0.9
143.81084	0.7
145.10133	8.2
147.08026	46.9
147.11650	7.6
149.09607	13.2
149.13184	1.2
151.11197	1.3
155.08501	1.5
157.10126	6.1
159.08011	1.7
159.11687	10.9
161.09592	5.9
161.13193	1.3
163.11221	2.6
163.14766	3.7
164.53510	0.9
165.12726	1.5
169.10046	4.3
171.11670	4.0
173.09598	8.1
173.13208	22.6
175.11150	5.8
175.14857	1.1
183.11676	4.7
185.09669	1.1
185.13240	4.6
187.11246	5.7
187.14783	2.8
189.12758	1.2
191.14287	4.2
195.11601	0.9
197.13257	6.0
199.11105	1.6
201.12697	7.3
203.14285	3.0
211.11263	1.1
211.14795	2.9
213.12778	1.3
213.16357	1.7
215.12204	1.2
215.14278	32.5
215.65822	0.8
220.12587	0.9
221.13203	1.6
223.14745	1.0
225.12686	1.5
227.14359	1.0
229.15817	1.1
234.13966	1.7
237.16156	0.8
238.17091	1.6
239.14212	1.1
239.17903	3.9
241.15889	1.5
243.13538	0.7
244.60977	0.8
246.30458	0.8
248.15561	3.3
253.19467	8.2
255.17407	0.9
257.18942	5.8
263.17868	7.1
270.64005	0.8
271.20465	10.7
281.18961	37.4
299.20004	100.0
299.25674	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	299.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.9
57.06812	0.5
57.07074	6.5
57.40525	0.3
58.06589	1.7
60.66410	0.3
62.06062	1.3
65.17355	0.3
67.05521	0.4
67.46838	0.3
67.63683	0.3
69.06722	0.7
69.07061	11.7
71.08616	4.3
72.08143	0.5
81.07014	1.6
83.08609	9.0
85.10180	1.7
94.83587	0.4
95.08604	2.9
97.10158	7.6
109.10132	0.5
111.11685	2.3
111.93974	0.4
117.06996	0.5
125.13234	0.3
129.06937	0.5
133.10095	0.7
141.06914	0.5
155.42921	0.3
157.10095	10.0
159.11679	3.8
169.10034	0.6
173.13255	0.5
183.11641	1.8
185.13220	0.6
187.14786	1.6
197.13173	0.6
199.14816	2.6
203.10515	0.4
211.14851	2.5
240.26816	100.0
241.25331	0.5
253.19461	14.9
253.21927	0.7
258.27875	75.6
271.20529	1.8
281.55304	0.4
299.19989	8.9
299.25635	0.5
299.30728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2002
Annotation	CHEBI:68869
Peak:m/z	Relative Intensity
59.04969	0.6
59.81342	0.5
69.07038	2.8
73.05583	0.6
73.66543	0.6
81.07025	2.9
83.04950	3.8
83.08572	0.6
83.41591	0.7
91.05459	0.9
95.08574	3.2
97.06518	8.8
105.06997	1.5
107.08563	0.7
109.10144	3.6
119.08521	1.1
121.82255	0.8
122.95028	0.6
131.08542	15.4
137.09540	1.1
145.06401	0.9
145.10130	1.3
147.08031	14.1
147.11708	1.3
149.05862	1.0
155.08548	8.2
157.10130	1.0
169.10054	1.3
171.07985	1.1
171.09529	0.6
171.11606	1.5
173.09492	0.7
173.13159	0.7
183.11653	1.3
185.13319	0.8
187.11147	8.5
197.09592	3.5
197.13219	10.4
199.11194	1.4
199.14757	0.9
211.14771	1.2
213.12711	3.5
221.13142	1.4
239.14293	5.0
239.18028	0.8
241.15741	1.0
253.19469	2.8
257.15292	17.4
259.53702	0.7
281.18979	2.3
299.20007	100.0
311.62534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
54.71674	0.7
55.05514	7.5
57.03418	1.0
57.07071	9.4
66.78535	0.8
67.05497	13.0
67.98054	1.0
69.07050	11.6
71.04962	1.5
71.08607	6.1
79.05481	6.4
81.07053	35.0
83.08611	7.2
84.87080	0.8
85.10158	3.4
91.05453	6.9
93.07021	11.7
95.08592	37.3
97.06509	1.3
97.10144	8.3
105.07020	30.6
107.08035	1.0
107.08589	15.7
109.06446	1.6
109.10134	27.0
111.11718	1.5
113.05994	1.0
113.09582	1.5
117.06986	4.3
119.08561	14.7
121.10116	7.7
123.08044	1.3
123.11697	11.8
129.06975	1.8
131.08551	15.6
133.10100	8.1
135.11691	7.3
137.05931	1.2
137.09593	0.9
137.13177	3.8
142.07794	1.2
143.08543	14.0
145.06522	1.8
145.10120	20.7
147.08052	3.4
147.11644	8.2
149.05930	11.8
149.13194	3.5
151.11128	1.2
155.08485	7.0
156.09312	1.5
157.10115	15.6
159.07973	1.0
159.11639	14.6
161.09576	3.8
161.13231	5.1
163.07486	4.8
169.10126	14.3
170.10849	1.2
171.07983	1.0
171.11642	16.2
173.13226	5.3
174.22812	1.0
175.07422	1.2
175.11131	1.6
176.61430	0.8
177.09009	1.4
183.11665	11.4
185.13206	7.0
187.11157	3.3
187.14774	3.6
189.09061	3.9
191.10614	3.6
195.11691	1.5
197.13213	22.0
199.14838	8.7
201.12746	1.3
201.16217	0.9
201.99864	1.0
203.10667	6.4
205.12209	1.7
209.13229	1.0
210.14061	1.3
211.11307	1.0
211.14824	11.5
213.16360	2.1
215.10660	1.2
215.14040	1.1
217.12144	1.6
223.14862	1.1
225.12625	1.4
225.16379	10.1
227.22026	1.1
229.12225	2.1
231.13847	1.5
239.14270	1.8
243.13857	9.9
245.22728	1.2
253.19461	38.8
255.21007	4.2
257.15335	4.7
257.18951	1.2
263.17865	1.1
263.23557	1.7
270.20984	0.9
271.16940	1.0
271.20438	6.5
281.18997	10.1
281.24518	1.5
299.20004	100.0
299.25729	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	299.2006
Annotation	Totarolenone
Peak:m/z	Relative Intensity
55.05504	6.3
57.03430	8.3
57.07082	27.6
57.24311	1.2
60.04513	1.5
60.24087	1.2
67.05496	8.3
69.03417	2.3
69.07072	15.2
71.08635	20.5
79.05483	2.2
81.07070	17.8
83.05029	1.5
83.08622	15.7
85.06577	1.3
85.10165	11.4
91.05472	2.0
93.07035	6.9
95.08615	18.9
97.10178	6.1
105.07014	2.1
107.08607	7.4
109.06516	2.8
109.10156	14.3
111.11697	1.7
117.06982	1.6
119.08565	5.9
121.10191	10.8
123.11704	6.3
131.08575	3.4
133.10173	2.7
135.08052	6.6
135.11722	7.6
137.09621	6.5
145.10121	6.7
147.08043	11.6
147.11668	3.3
149.09630	7.0
155.08565	3.0
157.10120	2.1
159.08038	2.9
159.11693	5.7
161.09631	8.5
163.11151	14.2
171.11574	1.9
173.09581	10.0
173.13219	2.6
173.46265	1.5
175.11214	5.9
177.09134	2.5
183.11696	2.4
187.11183	5.6
187.14803	2.0
189.12810	3.5
191.10667	8.5
194.03523	1.5
197.13298	2.1
199.11159	1.5
199.14888	1.9
201.12816	3.5
203.10809	2.1
215.14259	3.3
233.51849	1.5
239.17963	2.2
243.23280	1.8
245.22498	1.5
253.19502	2.8
255.48120	1.5
257.15408	10.6
257.19031	71.6
257.21698	2.6
263.23843	2.2
271.20535	47.3
281.18961	6.3
299.20096	100.0
299.25665	47.0
299.28958	2.3
306.61218	1.4
315.25925	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	299.1996
Annotation	Przewalskin D
Peak:m/z	Relative Intensity
52.74025	1.6
53.10711	1.8
55.05501	7.9
57.07057	12.4
58.06607	2.2
65.70405	1.9
69.07067	19.7
71.08609	2.4
71.20105	2.0
81.07038	4.4
83.08592	11.0
93.07006	2.6
95.08580	3.6
97.10155	13.7
104.10720	2.7
105.07053	3.2
119.08586	2.7
122.51128	2.2
129.54451	2.1
133.10132	3.9
137.09610	2.4
147.07971	21.4
152.76161	2.3
155.08485	2.8
167.08548	15.6
179.77609	2.6
197.13197	2.3
204.89854	2.6
209.13304	2.7
217.70667	2.2
218.04984	2.3
220.97290	2.1
221.13811	2.0
229.19456	3.1
230.24794	8.7
240.23166	2.8
240.26785	100.0
257.15335	11.0
258.24268	10.5
258.27850	66.1
271.20660	5.5
299.19968	93.8
299.25320	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	299.2575
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05495	26.2
56.67003	3.1
57.07069	63.8
64.15527	3.3
67.05489	39.7
67.39585	3.3
69.07053	82.6
70.06578	100.0
71.06907	29.5
71.08615	50.3
77.75202	3.4
79.05497	7.5
81.07046	74.5
83.08598	66.2
85.10159	26.9
87.31947	3.5
92.16814	5.2
93.07019	9.7
95.08585	81.2
97.06499	5.6
97.10139	57.6
99.08060	4.7
105.07027	7.7
107.08572	21.6
108.26816	3.8
109.10117	39.5
111.11689	21.7
119.08559	20.0
121.10124	4.4
121.16058	3.9
123.11675	23.3
133.10120	15.8
137.09625	7.3
137.13226	8.2
141.12758	4.8
147.11691	16.9
151.85201	3.7
155.14258	6.1
158.22885	3.9
159.11649	5.0
175.14746	9.4
189.16467	4.6
245.22621	16.6
263.23691	34.1
299.19971	19.5
299.23636	14.0
299.27661	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	299.2576
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05500	27.6
56.05024	4.2
57.03448	4.1
57.06797	4.0
57.07071	90.8
62.96936	2.8
67.05499	46.3
69.07058	79.5
71.04974	5.4
71.08618	92.8
79.05459	7.9
81.07049	100.0
83.08611	64.4
85.06527	4.3
85.10165	29.2
91.05454	6.1
93.07026	14.4
95.08593	90.6
97.06517	5.3
97.10161	55.1
99.08081	4.7
105.07031	5.6
107.08596	23.2
109.10135	52.1
110.07179	3.9
110.89600	3.8
111.08053	5.2
111.11693	19.5
117.99662	3.5
119.08564	13.0
121.10130	17.5
123.11704	23.4
133.10100	28.0
135.11673	5.2
137.09560	7.1
141.12717	20.5
143.16222	4.2
147.11674	16.8
149.66414	3.7
151.09903	4.0
151.11127	5.6
151.14822	3.8
155.14307	19.1
161.13202	7.1
163.14755	7.7
165.12743	5.0
175.14865	4.8
176.27179	3.2
179.14330	4.9
245.22656	17.1
253.25102	5.2
263.23633	31.8
281.24304	13.4
281.26962	10.4
291.05527	3.6
299.17090	7.7
299.20227	5.5
299.25504	31.6
299.27866	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	300.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25069	7.2
55.55694	7.9
57.03434	9.4
59.89188	8.6
69.03426	39.7
74.09718	86.2
81.03415	13.6
85.02914	62.5
89.06028	100.0
97.02901	31.2
99.04466	11.3
101.26738	7.8
106.02928	38.3
107.87534	9.1
108.08121	18.5
110.07150	10.6
120.04440	67.9
124.03926	35.1
124.07565	14.8
127.03880	35.0
133.08601	37.7
134.06006	13.3
136.07533	12.5
138.05495	11.2
152.07014	67.2
170.08138	16.3
177.11249	10.5
180.99654	10.0
227.17578	31.3
283.17447	67.0
300.18509	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	300.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
60.07673	0.5
60.51600	0.5
63.00722	1.0
63.85259	0.6
70.06582	27.3
72.08136	0.7
72.47288	0.6
72.52239	0.6
73.69293	0.6
74.09726	0.7
84.08100	0.9
86.09694	53.7
87.04480	0.9
89.06020	39.8
102.27693	0.7
116.07072	100.0
133.08597	13.4
136.06174	44.7
137.06570	1.5
157.13341	31.8
161.68243	0.8
177.11133	4.7
185.12827	9.6
197.09157	0.7
223.21472	0.7
229.15359	1.0
246.05592	0.7
283.17496	22.7
300.09561	4.2
300.19342	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	300.2896
Annotation	Sphingosine
Peak:m/z	Relative Intensity
51.79961	0.6
55.05521	6.7
56.04781	0.9
56.05037	16.1
56.16256	0.7
57.03433	0.6
57.07080	6.1
58.02956	1.5
60.04517	3.1
67.05501	10.4
68.05009	0.8
69.07071	10.0
70.06592	1.0
71.08624	3.3
71.31389	0.6
72.04505	1.1
74.06086	0.7
74.09706	1.2
79.05482	3.8
81.07062	9.1
82.06576	3.8
83.04956	2.6
83.08621	7.7
84.57704	0.6
85.10166	2.6
86.06046	3.2
89.06033	2.8
93.07048	7.3
95.08595	9.9
96.08112	1.5
97.06535	1.1
97.10159	4.6
100.07607	1.2
107.08606	4.4
109.07649	0.8
109.10152	3.0
109.30695	0.8
110.09663	0.8
111.11677	0.6
116.04114	0.7
121.10128	2.8
135.11667	0.8
205.36894	0.6
211.20538	1.0
219.19405	0.7
227.47430	0.8
252.26826	13.9
257.38132	0.8
264.26874	10.8
282.27881	100.0
283.17490	1.3
300.29083	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	300.2895
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
51.80392	0.7
51.93204	0.7
57.07076	14.4
62.06090	100.0
70.19083	0.8
71.08624	11.0
73.12330	0.8
75.66398	0.7
81.07066	0.9
83.08617	1.4
84.44064	1.0
84.81364	0.8
85.10166	5.3
95.08585	5.0
108.35880	0.9
282.27960	4.4
283.26270	8.9
300.28937	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	301.0703
Annotation	Diosmetin
Peak:m/z	Relative Intensity
56.37661	0.2
67.33824	0.2
69.03403	0.3
69.07055	0.5
81.07043	0.4
95.08591	1.0
105.06975	0.3
107.08582	0.5
109.10169	0.3
111.08051	0.3
119.08569	0.5
121.06487	0.5
121.10141	0.4
133.10106	0.5
137.05974	0.4
145.10083	0.3
147.07991	0.3
147.11664	0.6
149.05963	2.0
150.06873	0.3
157.10243	0.4
169.10101	0.2
171.11629	0.3
177.05450	1.9
178.50786	0.4
189.12715	0.2
204.53278	0.2
214.39392	0.2
249.86806	0.3
257.04163	0.3
258.05124	3.1
283.20404	0.5
286.04684	42.0
301.07022	100.0
301.21564	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	301.0703
Annotation	Diosmetin
Peak:m/z	Relative Intensity
57.58018	0.3
58.80589	0.2
67.05486	0.3
69.07038	0.3
72.57635	0.2
77.59437	0.2
81.07028	1.1
83.08579	0.2
91.05466	0.3
93.07000	0.5
95.08581	1.5
97.43047	0.2
105.07009	0.6
107.08586	1.6
109.06474	0.4
109.10115	1.3
117.07013	0.3
119.08571	1.2
121.06464	0.3
121.10109	1.1
123.11639	0.3
129.23682	0.3
129.50256	0.2
129.64183	0.3
131.08588	0.3
133.10089	1.0
135.08002	0.4
135.11678	0.4
145.10092	1.0
149.11888	0.2
149.13234	0.4
153.01746	0.3
157.10080	1.0
159.11659	1.7
161.09538	0.5
161.13213	0.5
163.18341	0.2
171.11655	0.5
173.09575	0.3
173.13248	0.4
177.05457	0.4
181.06471	0.3
181.10205	0.4
185.13202	0.5
197.13333	0.3
199.14786	0.3
201.16167	0.3
204.40697	0.2
224.74158	0.2
227.17912	0.3
241.08472	0.6
241.19542	0.3
242.88531	0.3
255.17343	0.4
255.21031	1.2
258.05164	5.1
265.19656	0.3
269.08032	0.5
283.20459	1.6
286.04675	46.0
301.07016	100.0
301.21536	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	301.1066
Annotation	Kukulkanin A
Peak:m/z	Relative Intensity
55.05500	1.1
66.85620	0.9
67.05492	1.5
69.07034	1.2
81.07033	4.3
81.93769	1.0
85.61497	0.8
87.01062	0.9
91.05460	4.8
93.07040	5.2
94.44549	0.9
95.04952	8.0
95.08585	5.1
103.05422	1.7
105.07008	4.9
107.04939	46.7
107.08579	4.3
109.06519	1.9
109.10142	2.3
111.08028	1.6
119.00011	1.2
119.04919	12.2
119.08549	4.0
121.06483	4.5
121.10148	2.3
123.04402	5.0
123.08056	1.6
131.04904	74.1
131.08577	2.0
132.05711	1.3
133.06462	1.8
133.10106	5.3
135.08052	1.5
135.11685	6.4
137.05962	6.5
143.08525	1.5
145.06332	1.2
145.10089	5.8
147.08015	4.0
147.11668	2.0
149.05957	5.2
149.13397	1.3
152.06166	1.9
153.06956	4.2
155.08519	2.1
157.10089	2.1
159.11668	2.2
161.05939	23.1
161.09561	1.9
163.11215	3.9
165.05698	1.3
165.06935	10.9
166.07730	1.7
167.08511	23.0
171.11684	1.9
173.13284	1.8
175.11128	1.2
175.14879	1.2
177.05539	1.8
177.06937	13.4
177.12688	1.1
181.06453	7.4
183.08028	29.3
183.11667	1.2
193.06453	1.6
194.07281	1.4
195.08018	85.9
197.09628	2.4
205.06247	1.3
211.07487	33.1
212.08290	4.4
212.34702	1.0
223.07492	100.0
224.08246	10.1
225.16287	1.5
227.10718	2.7
227.12747	4.1
240.07828	7.5
243.10115	8.4
254.09412	2.1
255.10091	39.0
255.12767	1.4
269.98553	1.2
271.09583	18.6
283.09604	78.3
283.20532	5.3
301.07172	3.8
301.10535	26.1
301.17999	8.2
301.21606	16.9
319.62845	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	301.1066
Annotation	Dehydromelanoxin
Peak:m/z	Relative Intensity
55.01878	0.9
55.05517	0.9
60.42813	0.6
67.05513	0.8
69.07059	3.5
73.67713	0.6
79.05493	1.0
81.07027	5.3
91.05466	1.0
93.07034	5.5
95.08578	6.0
105.07016	3.6
107.04939	1.0
107.08607	6.6
109.06492	1.6
109.10126	4.5
117.03419	0.8
117.07012	1.3
119.08562	4.5
120.44026	0.8
121.06480	1.2
121.10127	5.3
123.08038	1.1
123.11640	1.1
124.05232	1.3
130.86989	0.7
131.08569	4.0
133.10071	6.6
135.08034	1.4
135.11690	1.7
137.05980	4.7
137.09645	1.4
143.08533	1.4
145.10097	6.0
147.08012	1.6
147.11638	3.5
149.05948	27.7
149.09587	1.7
149.13258	1.3
153.06967	4.2
155.08638	1.4
157.10114	4.6
159.11662	4.9
161.09525	1.3
161.13214	1.6
167.08392	0.9
169.10115	1.1
171.11650	1.8
173.09608	1.2
173.13255	3.8
175.14882	1.5
177.05469	10.2
181.06467	10.2
183.11745	1.3
185.13252	1.6
187.11214	1.2
187.14815	0.9
195.11713	1.0
197.13080	2.5
198.06721	3.6
199.11192	0.9
199.14763	1.6
209.05923	19.4
209.13292	0.9
210.06700	0.9
211.14766	1.1
213.09125	1.8
213.16396	1.2
215.17723	0.9
223.14890	1.2
225.05527	1.1
226.06203	6.7
227.07010	4.8
231.17403	4.3
236.04459	0.9
237.05490	10.5
237.16370	1.2
241.08513	20.9
241.15880	1.3
251.07031	4.6
254.05684	10.9
255.17383	3.5
255.21156	1.2
258.08905	1.2
269.08026	100.0
270.08832	3.2
273.11145	29.7
283.16934	4.0
283.20566	7.6
284.94754	0.8
286.08206	1.1
301.07245	1.9
301.10605	24.9
301.14215	1.6
301.17957	14.3
301.21579	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	301.1794
Annotation	D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione
Peak:m/z	Relative Intensity
54.22841	1.5
55.05497	2.5
67.05489	8.8
69.07051	11.2
79.05483	7.5
81.07047	24.5
83.04958	2.7
83.08603	2.0
91.05466	4.4
91.86398	1.7
93.07035	14.6
95.04965	8.2
95.08595	22.8
97.06489	3.0
99.04433	3.1
105.07014	16.3
107.08578	22.2
109.06480	8.1
109.10150	12.1
111.08069	2.3
113.05983	2.0
119.04933	1.8
119.08540	17.8
121.06473	3.9
121.10115	19.1
123.08042	6.9
123.11690	12.0
131.08551	22.8
133.10094	17.3
135.08031	6.8
135.11671	8.6
137.09560	3.7
137.49309	1.6
142.07848	1.9
143.08571	9.6
145.10103	23.7
147.08067	12.2
147.11638	12.7
149.09602	7.7
157.10092	39.0
159.11676	19.0
161.09616	9.9
161.13234	8.0
169.10117	6.7
171.11644	31.2
172.12386	2.0
173.09599	9.1
173.13219	9.4
175.11151	4.2
175.14842	1.7
177.12738	1.7
181.10089	4.3
183.11633	4.0
185.09531	6.7
185.13194	19.3
187.11165	4.0
187.14882	3.8
189.12708	4.1
189.16339	2.5
191.10651	3.5
195.11632	7.4
197.13214	6.9
199.11133	23.2
199.14833	9.8
201.12752	2.8
201.16377	7.1
209.13292	3.1
211.14795	9.3
213.12785	14.1
213.16357	40.5
215.14330	3.3
215.17909	2.1
217.12199	10.4
223.14804	11.9
225.16315	2.2
227.14279	7.5
227.17844	4.2
229.15889	2.4
229.34866	1.7
231.13762	3.1
237.16333	8.9
239.18025	2.2
241.15776	10.0
241.19611	2.1
243.17372	2.5
245.15237	2.1
248.55481	1.7
250.16867	1.9
255.17339	20.7
255.21075	8.6
257.19119	2.3
259.16809	7.0
265.19464	3.2
271.20581	3.1
273.18442	16.7
283.16876	10.5
283.20547	22.6
301.10782	2.9
301.17935	69.5
301.21564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1795
Annotation	D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione
Peak:m/z	Relative Intensity
50.46233	0.6
51.11455	0.7
55.05510	1.2
56.65294	1.0
61.06361	0.8
61.49482	0.9
65.40376	0.8
67.05485	4.4
69.07046	3.0
72.08149	1.1
79.05460	0.8
81.03392	1.1
81.07048	8.9
91.05473	2.0
93.07034	5.1
95.08582	8.6
95.55907	0.7
97.10141	1.0
99.63157	0.8
105.07020	10.1
107.04937	8.3
107.08563	6.0
108.78310	0.8
109.06505	3.3
109.10139	14.2
109.35526	0.9
111.25957	0.8
119.08572	10.7
121.06532	0.9
121.10138	6.8
123.08067	1.2
123.11688	7.1
129.07027	1.6
131.08536	5.7
133.10141	6.8
135.08057	5.6
143.08549	5.1
145.10143	5.9
147.08031	3.7
147.11642	9.8
149.09639	1.5
149.13297	1.3
157.10103	20.0
159.07979	1.9
159.11661	9.3
161.09575	1.4
161.13261	4.4
169.10092	2.1
171.11620	9.7
173.09569	1.2
173.13217	5.1
175.11159	11.9
175.14749	1.2
179.10571	1.4
182.34198	0.8
185.09627	1.2
185.13213	4.7
187.11165	5.8
187.14798	1.7
188.11935	5.0
189.12762	1.0
193.12199	0.9
199.14816	9.0
203.17918	2.1
205.12267	1.0
213.12817	2.1
213.16371	14.8
215.10652	5.5
217.15811	1.9
227.17828	1.5
231.13756	5.5
231.17413	65.7
233.11740	3.8
237.16396	1.2
241.15808	4.0
255.17432	8.6
255.21021	19.9
259.16959	1.2
273.18478	6.6
273.21487	1.3
283.16916	5.6
283.20425	3.4
283.28244	1.0
301.17963	100.0
301.21579	33.7
301.31290	1.6
311.74078	0.8
315.51633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1794
Annotation	D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione
Peak:m/z	Relative Intensity
57.07066	1.1
59.97745	0.7
67.05490	3.1
69.07043	1.1
79.05478	1.6
81.03380	0.6
81.07054	5.5
91.05457	1.5
93.07010	4.3
93.52846	0.6
95.04987	1.5
95.08588	4.1
97.06492	1.2
99.95049	0.9
103.35785	0.6
105.04396	0.7
105.07040	5.8
107.04948	7.2
107.08543	4.8
109.06510	2.7
109.10131	9.5
112.47119	0.7
117.07005	1.6
119.08543	8.1
121.06496	0.8
121.10135	5.6
123.08017	1.2
123.11690	6.4
125.09593	0.8
129.07013	2.7
131.08562	7.5
133.10126	6.7
135.08003	7.1
135.11726	2.4
143.08543	4.5
145.10115	4.5
147.08025	10.8
147.11659	6.8
149.09564	1.2
157.10106	17.4
159.08022	1.5
159.11655	5.5
161.09578	1.3
161.13246	1.1
169.10117	3.7
171.11649	8.8
173.09583	2.8
173.13202	2.9
175.11172	13.1
176.96353	0.7
185.09593	1.2
185.13249	3.6
187.11197	7.2
187.14731	1.0
188.11890	5.0
189.12703	1.3
195.11624	1.2
197.13231	1.0
199.14728	1.6
201.12752	0.9
203.17947	3.9
213.12709	3.3
213.16328	14.1
215.10658	4.2
215.14313	1.2
217.15892	2.6
227.14226	1.3
231.14009	6.0
231.17386	63.9
233.11771	3.2
237.16420	2.9
241.15874	2.7
255.17444	8.0
255.20949	0.8
273.18552	4.9
283.17123	5.7
283.20151	5.4
301.17957	100.0
301.21582	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	301.1797
Annotation	Angustanoic acid G
Peak:m/z	Relative Intensity
55.01854	0.9
55.05503	4.8
55.73339	1.0
57.07068	2.2
57.89039	1.0
63.32635	1.1
67.05502	5.8
68.89368	1.0
69.03412	1.5
69.07053	5.1
79.05499	4.1
79.42745	1.2
81.07053	16.3
83.04971	1.9
83.08609	5.2
84.85421	1.2
85.06520	1.7
91.05463	8.8
93.07040	23.4
95.04956	2.1
95.08604	22.7
97.10159	1.6
99.04439	1.4
99.83046	1.2
101.03718	1.1
105.07031	15.1
107.04967	1.3
107.08580	27.2
109.06513	17.7
109.10145	11.3
111.08089	2.4
117.07069	1.3
119.04939	1.5
119.08559	12.6
121.06495	9.2
121.10129	21.0
123.08054	4.5
123.11688	28.2
127.82972	1.1
129.06987	1.3
131.08559	9.6
133.06488	1.3
133.10120	41.7
135.08057	11.3
135.11676	32.6
135.12640	2.3
137.05959	1.3
137.09648	1.9
143.08577	8.2
145.10103	17.5
147.08031	13.7
147.11673	20.1
149.09598	1.9
149.13243	14.8
153.05479	5.8
155.08521	2.5
156.09346	1.4
157.10086	10.6
158.07062	1.3
159.08078	4.8
159.11664	11.2
161.09621	8.2
161.13179	2.2
163.11150	6.5
165.05444	41.3
169.10135	5.9
171.07986	1.7
171.11652	8.2
173.09572	5.1
173.13231	7.6
175.11092	2.1
175.14809	7.4
177.05438	4.5
179.07002	5.3
181.10150	2.8
183.11649	4.3
185.09526	2.8
185.13206	6.2
187.11198	1.9
189.09143	4.7
189.12639	1.6
191.07048	2.0
191.14320	1.3
195.11682	7.0
197.13261	4.7
199.11182	6.3
199.14867	6.2
201.12729	6.4
209.13235	5.2
211.14761	21.5
213.09091	5.2
213.12740	5.3
213.16397	2.4
223.14882	1.4
225.16554	1.6
227.10678	1.5
227.14314	2.3
227.17900	5.2
231.17451	2.2
237.16374	8.1
239.18034	1.7
241.12189	2.7
241.15714	4.3
255.17397	14.3
255.21042	9.1
257.19070	1.3
259.13312	2.0
265.15833	1.9
265.19501	2.5
273.18301	1.6
283.10571	1.3
283.16913	20.7
283.20505	15.1
301.07141	1.5
301.10693	2.2
301.17963	100.0
301.21582	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	301.2158
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
67.05473	5.4
69.07083	4.4
76.19766	3.9
79.05486	4.6
81.07065	15.0
93.07033	17.7
95.08585	21.7
105.07039	6.5
107.08577	18.7
109.10127	19.0
119.08546	16.5
121.10133	8.4
123.11723	3.7
131.08522	6.4
133.10101	15.7
135.11656	5.1
145.10094	6.0
147.11653	17.9
151.71831	3.6
159.11655	8.6
161.13199	14.5
171.01266	3.7
173.13274	5.7
174.67810	3.6
185.13162	4.4
199.14888	8.0
213.16306	7.4
255.21059	82.3
262.48035	3.8
283.28278	39.9
301.18106	11.6
301.21558	100.0
301.24838	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	301.2158
Annotation	CHEBI:68875
Peak:m/z	Relative Intensity
63.63986	0.6
67.05508	0.8
69.74545	0.7
81.07035	1.0
81.81126	0.7
86.90555	0.6
95.08589	3.3
103.74526	0.7
105.07023	1.4
107.08545	0.9
111.08047	1.1
117.07037	1.1
119.08535	1.0
121.10108	10.0
131.08589	6.6
133.10144	1.0
147.08017	26.7
147.11652	3.3
155.08543	8.0
157.10065	3.3
173.09554	2.6
173.13235	3.4
181.10107	3.4
185.13260	1.1
187.11168	6.8
189.12799	1.2
197.13229	32.8
199.14771	1.0
211.14763	1.0
215.14276	0.9
223.14761	5.8
241.15836	1.3
259.16879	11.8
265.19391	1.2
283.20535	1.8
301.21576	100.0
316.61749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2158
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
54.25618	1.2
55.05498	3.4
57.03414	1.4
66.25668	1.2
67.05487	10.2
69.07050	9.0
69.28660	1.2
69.45000	1.2
71.04961	1.3
76.08207	1.2
79.05489	2.4
81.07063	12.6
83.08589	2.1
85.02899	18.4
87.84282	1.6
91.05452	6.8
93.07030	15.3
95.08594	22.1
97.10120	2.1
105.07027	17.2
107.08589	23.8
109.06519	2.1
109.10146	37.3
111.08058	1.9
113.09683	1.3
117.07007	1.6
119.08571	19.0
121.10142	23.1
123.08017	7.8
123.11700	4.7
129.07077	2.0
131.03226	1.4
131.08556	21.2
132.65652	1.4
133.10106	21.9
135.08038	5.6
135.11659	6.2
137.09608	3.3
143.08527	8.4
145.10121	27.0
147.11668	20.2
149.09569	2.7
149.13239	3.0
151.11156	2.2
157.10124	12.3
159.11650	18.9
161.09555	1.8
161.13260	13.6
165.12752	2.1
169.10132	5.5
171.08151	1.3
171.11665	8.7
173.09520	2.4
173.13226	11.8
175.11153	12.9
175.14839	2.8
177.12642	1.5
179.10603	7.0
183.11673	2.5
185.13260	13.3
187.11186	5.2
187.14789	7.4
189.12799	10.4
191.10652	1.8
193.12210	11.6
193.84801	1.3
195.11716	2.0
197.13274	2.9
199.11295	1.4
199.14847	10.5
201.12709	1.9
201.16348	23.8
205.12254	7.2
207.13736	6.1
209.13220	2.7
213.12823	2.2
213.16399	7.7
215.51535	1.6
217.19472	5.5
219.13692	1.5
223.14764	1.6
225.16365	2.8
227.17926	2.8
229.15771	1.8
231.13762	2.2
241.15822	1.7
241.19470	6.8
245.15359	5.7
255.21056	19.2
259.16754	3.0
259.20554	2.1
265.19431	6.3
273.22015	2.5
283.20520	28.1
301.21570	100.0
313.35202	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	301.2157
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.50280	1.5
55.05495	4.4
57.03418	1.5
57.07069	2.5
57.86129	1.5
62.11494	1.8
67.05480	10.7
67.29969	1.7
69.07045	12.8
71.04953	2.3
79.05470	2.7
81.07047	15.2
83.04947	3.7
83.08591	2.1
91.05445	4.0
93.07026	19.4
95.05000	1.8
95.08590	16.7
97.06538	2.1
97.10117	3.2
105.07016	18.3
107.08580	25.0
109.10133	37.0
114.33562	1.6
117.06944	2.6
119.08562	20.2
121.10126	32.5
123.08044	2.8
123.11676	13.2
131.08551	16.2
133.10098	27.1
135.07973	6.8
135.11659	8.2
137.09569	2.7
143.08539	8.5
145.10085	22.0
147.08022	3.2
147.11674	23.3
149.09560	3.6
149.13223	4.3
151.39964	2.0
157.10097	10.6
159.11646	19.4
161.09566	4.2
161.13170	8.8
163.11093	3.4
169.10046	2.3
171.11606	7.2
173.13187	7.6
175.11124	6.9
175.14842	2.6
179.10641	8.4
183.11668	3.5
185.13182	13.0
187.11086	3.6
187.14813	4.3
193.12212	7.5
197.13217	3.1
199.14767	12.0
201.12743	2.2
201.16377	3.7
203.14357	3.2
205.12206	3.6
209.13155	2.6
213.12689	3.2
213.16267	3.9
223.14642	2.6
225.16296	2.1
227.14366	4.3
227.17802	3.2
229.19481	3.4
231.13834	2.4
236.98564	14.5
237.13298	2.3
241.19510	3.7
245.15311	3.5
254.99542	2.5
255.14316	7.2
255.20963	13.4
265.19470	3.2
283.20438	31.3
285.44034	2.0
301.18158	5.5
301.21527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2155
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
54.83472	3.0
55.05502	5.1
57.07043	3.2
67.05488	4.7
69.07063	6.8
74.68270	3.1
79.05475	18.7
81.07046	26.3
91.05457	4.3
93.07014	24.6
95.04913	4.7
95.08587	23.2
97.06513	4.3
105.07013	40.7
107.08571	67.3
109.10126	24.5
117.06973	4.9
119.08555	27.8
121.10108	39.3
123.08080	3.5
123.11681	14.6
131.08553	51.2
133.10092	46.9
135.11693	16.7
137.09557	4.9
143.08513	12.6
145.10078	38.4
147.07988	4.5
147.11641	22.8
149.09598	6.1
149.13168	7.6
155.08492	5.6
157.10124	17.5
159.11629	22.6
161.13216	15.6
165.09128	3.5
171.11670	18.1
173.13220	34.7
175.14749	3.3
178.63664	3.4
185.13187	30.0
187.11215	4.0
187.14787	16.6
189.12619	3.2
189.16295	4.3
197.13429	11.1
199.14754	14.6
201.16557	3.9
213.12630	3.7
213.16318	16.2
215.17909	31.9
225.16373	4.2
227.17815	5.1
239.17883	4.4
240.23228	3.8
241.15854	6.5
241.19388	13.3
243.17314	5.1
255.20999	33.8
265.19467	5.8
283.20514	45.2
288.64139	3.2
301.21503	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	301.2156
Annotation	CHEBI:132348
Peak:m/z	Relative Intensity
53.07321	0.7
66.78706	0.9
67.05484	1.2
69.07040	1.4
71.04980	1.0
71.74790	0.9
79.05476	1.1
79.98478	0.8
81.07051	6.2
92.16723	1.1
93.07026	10.6
95.08592	7.0
105.07024	4.2
107.04938	2.0
107.08583	12.1
109.10145	11.1
119.08557	4.2
121.06498	7.3
121.10135	5.1
123.08018	6.8
123.11693	1.5
125.05978	1.2
131.08534	1.4
133.10098	3.7
135.07964	1.3
135.11693	11.2
137.09605	5.2
139.64711	1.0
143.08569	1.4
145.10095	5.5
147.08005	12.5
147.11618	3.8
149.09596	5.7
149.13226	1.6
155.08537	1.4
157.10080	1.5
159.07974	3.8
159.11636	2.0
163.11147	37.0
165.09065	1.4
171.11650	2.2
173.09554	3.4
173.13200	4.1
175.11154	1.5
177.12657	4.2
181.10078	1.1
185.13184	1.3
187.11119	1.6
189.12665	1.7
191.14316	4.0
197.13237	15.2
198.46292	1.2
199.14799	1.8
201.12721	4.2
202.06010	0.9
203.10667	2.0
203.14268	1.3
209.13116	1.0
215.14368	1.8
223.14757	3.3
227.14215	4.2
241.15860	1.4
245.15350	9.5
259.16901	5.8
265.19431	1.8
283.20459	6.7
301.21573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2158
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05497	1.4
67.05482	3.3
69.07044	2.7
79.05452	2.9
81.07047	6.3
83.08597	1.1
91.05462	1.5
92.17449	1.4
93.07034	8.0
95.08598	9.5
97.06519	1.1
105.07006	9.2
107.04885	0.9
107.08570	6.5
109.06493	2.9
109.10134	14.9
110.27388	0.7
117.06982	3.1
119.08566	13.9
121.06474	3.6
121.10114	7.3
123.08059	10.9
123.11665	9.3
125.09621	0.9
125.64849	0.7
129.07047	0.8
131.08531	8.3
133.10123	9.1
135.11693	4.5
137.09598	9.2
139.11208	1.0
143.08519	1.7
145.10104	23.7
147.08015	1.3
147.11688	5.3
149.09593	40.2
151.11160	8.2
157.10114	2.7
159.08006	1.5
159.11667	11.2
161.09578	2.7
161.13220	7.8
163.11102	7.5
165.12799	0.7
170.60397	0.6
171.08028	1.0
171.11618	3.4
173.09528	0.9
173.13188	3.8
175.11116	1.1
175.14793	4.9
177.12741	1.1
179.10670	3.3
180.74991	0.7
181.10124	1.1
185.09563	1.0
185.13203	3.3
187.11160	10.1
187.14819	1.0
189.12749	1.5
195.11697	1.0
197.11642	0.6
197.13216	4.8
199.14801	2.8
208.25197	0.7
209.13176	1.3
211.14787	0.9
213.12708	3.9
215.14241	1.4
223.14856	2.5
225.16389	1.3
227.14204	0.8
239.17981	0.9
241.15805	3.3
241.19496	1.0
245.15337	1.1
255.17542	0.7
255.21037	1.3
259.20767	0.7
265.19501	5.9
283.20523	24.9
301.21567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2158
Annotation	1beta-Hydroxyisopisiferin
Peak:m/z	Relative Intensity
51.56315	0.5
55.05509	5.4
57.07065	1.2
59.05010	13.9
63.95863	0.6
67.05509	5.4
69.03405	1.4
69.07091	6.2
71.04989	1.5
79.05476	1.5
81.03416	4.8
81.07056	8.9
83.04964	4.1
83.08611	6.5
90.32275	0.6
91.05466	3.8
93.07044	8.8
95.04957	3.1
95.08593	11.5
97.06564	2.4
99.08096	1.3
105.07031	8.3
105.45530	0.8
107.05007	0.9
107.08587	9.8
109.06513	5.0
109.10148	7.2
111.08092	0.9
117.07023	1.1
119.08572	19.3
121.06461	1.1
121.10124	9.2
123.08062	3.3
123.11689	9.6
131.08600	7.7
133.10118	24.2
135.08043	9.6
135.11679	6.0
137.09605	4.4
143.08560	3.4
145.10135	6.4
147.08041	35.8
147.11664	4.9
149.09616	11.1
149.13210	1.8
151.11147	1.3
155.08615	0.8
157.10118	7.9
159.08058	1.6
159.11679	5.3
161.09554	5.1
161.13240	1.7
163.11143	7.2
165.12724	1.1
169.10149	3.1
171.11665	5.6
173.09612	4.6
173.13226	4.7
175.11275	5.8
175.14798	16.5
177.09068	9.9
177.12723	0.9
183.11717	3.0
185.13260	4.5
187.11160	3.4
187.14818	1.7
189.12761	8.6
191.14331	2.8
195.11642	1.3
197.13249	3.2
199.11157	2.7
199.14806	2.8
201.12848	5.9
203.14243	1.3
205.15935	1.1
209.13275	1.1
210.14096	0.9
211.14888	3.1
213.12740	3.0
213.16339	3.2
215.14333	1.6
217.15837	1.4
219.13783	3.1
223.14766	1.3
225.16351	6.1
227.14296	3.0
239.17937	1.4
241.15804	2.6
241.19501	7.2
243.17464	9.4
245.15457	1.2
255.21025	1.5
265.19479	4.4
265.47089	0.8
283.20544	48.8
298.21365	0.8
301.21603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2157
Annotation	1beta-Hydroxyisopisiferin
Peak:m/z	Relative Intensity
53.82608	0.5
55.05500	3.4
57.07072	1.1
59.04984	1.0
67.05490	2.9
69.03431	0.9
69.07044	3.8
79.05486	2.4
81.07044	6.0
83.04979	8.3
83.08598	2.7
85.06514	0.8
85.81532	0.6
91.05447	2.9
92.17437	1.4
93.07039	7.5
95.08604	9.3
97.06526	1.4
105.07022	7.9
107.08031	0.7
107.08596	11.1
109.06514	5.5
109.10150	11.7
111.08062	7.1
117.07046	1.1
119.08570	10.2
121.06387	0.8
121.10126	13.5
123.08057	3.4
123.11677	2.8
125.09612	2.9
131.08545	10.5
133.10109	19.7
135.08025	3.2
135.11691	6.2
137.09599	14.7
137.13245	1.3
139.11221	0.9
143.08517	4.1
145.10097	6.8
147.08009	1.7
147.11646	12.9
149.09596	31.1
149.13196	5.5
151.11160	4.0
156.18355	0.6
157.10150	4.7
159.08040	1.0
159.11687	13.0
161.09605	3.3
161.13264	2.5
163.11180	5.4
163.14810	1.0
165.12724	0.9
169.10078	0.8
169.40512	0.7
171.11682	8.4
173.13234	37.7
175.11166	7.1
175.14850	2.9
177.12772	2.8
181.10088	0.8
183.11684	3.1
185.13248	7.6
187.11198	1.4
187.14839	2.7
189.12691	4.7
191.14317	3.5
192.62042	0.6
192.80327	0.7
195.11620	1.4
197.13240	1.1
199.11195	1.2
199.14810	6.7
201.12639	1.4
201.16336	1.2
203.14301	3.6
209.13185	1.2
211.14677	1.4
213.12726	2.6
213.16331	3.6
215.14294	0.9
215.17905	0.8
217.15874	3.5
221.13264	1.4
222.13826	0.8
223.14839	2.7
225.16431	2.8
227.14232	1.4
227.17874	1.0
229.15811	1.0
231.13780	1.1
231.17429	3.6
236.15591	3.5
237.16299	2.5
239.17870	0.8
240.23189	1.0
241.15863	2.8
241.19469	4.5
243.17529	1.0
250.16986	1.1
255.17229	1.4
255.21017	11.0
257.19135	1.0
259.20639	5.1
265.19513	7.6
271.20499	0.8
273.22034	1.1
283.20541	36.3
301.21585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2154
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
51.19835	0.8
51.25278	0.8
51.37755	0.8
55.05492	4.7
55.41188	0.9
57.07059	4.4
59.50834	0.9
67.05482	4.5
69.03404	1.3
69.07043	10.0
70.06564	2.3
71.08589	4.7
72.08138	15.6
72.08983	0.9
73.08463	5.7
79.05466	1.1
81.07031	8.9
83.04958	1.8
83.08610	9.7
85.06561	1.3
86.10481	1.2
88.07603	2.3
91.05456	4.7
93.07007	4.6
95.04918	1.2
95.08581	9.9
96.08929	1.9
97.06511	1.4
97.10136	4.0
105.06983	2.2
107.04905	1.1
107.08544	4.5
109.10136	8.3
111.08076	1.2
114.09123	1.6
117.06974	1.6
119.08571	10.3
121.10110	4.9
123.11664	17.0
131.08482	2.5
132.05675	1.3
133.10104	4.3
135.11658	4.1
137.09529	1.5
143.08502	1.1
145.10056	3.6
147.08015	100.0
147.11653	2.1
149.09599	10.5
149.13240	2.0
157.10098	2.5
159.07991	5.9
159.11604	1.5
161.09581	7.2
163.11185	1.6
173.09579	41.1
173.13245	1.3
184.07246	1.0
185.09641	1.5
187.11134	24.6
189.12651	2.0
199.11197	4.8
201.12735	4.0
210.48444	1.1
213.12682	5.7
215.14317	2.2
217.15727	1.8
227.14136	1.3
241.15663	1.0
243.17395	6.2
255.21031	4.7
265.27179	1.3
275.44324	1.1
283.20462	9.5
283.28152	35.0
284.28543	19.8
301.18112	2.2
301.21552	65.3
301.31122	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	301.2161
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
54.78054	3.0
57.02314	2.7
57.72802	2.8
61.70761	3.1
67.05504	7.9
69.07063	13.8
79.05480	13.4
81.03419	3.5
81.07050	22.7
91.05444	12.3
93.07041	25.0
95.04955	5.1
95.08580	25.6
95.66477	3.3
105.07025	20.4
107.04945	5.2
107.08589	23.4
109.06496	7.8
109.10146	14.2
119.08575	34.2
119.95046	3.3
121.06483	3.3
121.10125	50.0
123.11711	30.4
131.08583	16.6
133.10118	42.4
135.08041	21.1
135.11697	20.3
137.06007	14.9
137.09578	4.1
139.11195	3.5
143.08514	5.4
145.10100	22.0
147.08049	46.7
147.11700	7.9
149.06033	6.3
149.13223	8.2
157.10103	13.2
159.11673	6.5
161.05952	6.4
161.09682	8.4
163.11197	14.7
171.11713	16.1
173.09639	7.6
173.13234	7.1
175.14774	28.7
177.05511	7.8
181.06439	6.4
183.11665	4.7
185.09473	4.8
185.13289	8.1
187.11221	6.3
189.12625	4.4
199.03696	3.9
199.11180	4.4
199.15054	3.7
201.16325	5.0
209.05917	6.8
209.13239	5.9
211.14862	4.8
213.12634	6.0
213.16389	5.3
217.03357	3.2
218.74315	3.5
223.14822	3.7
237.05504	6.5
241.08517	3.4
241.15857	4.1
245.13770	6.8
255.21124	7.9
265.19684	4.7
269.08112	16.6
283.10751	6.1
283.20557	52.2
301.07013	14.9
301.10684	19.5
301.17953	21.2
301.21487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.94149	2.0
55.05498	4.3
57.03426	3.3
59.58394	2.1
63.71630	1.9
66.95669	2.2
67.05505	10.2
69.07053	12.4
72.65985	2.5
79.05487	5.7
81.03416	5.9
81.07039	21.9
82.67059	2.6
83.04959	3.2
83.08607	4.4
91.05486	6.0
93.07039	20.1
95.04938	3.0
95.08619	19.8
97.06518	2.8
105.07004	20.3
107.08588	19.3
109.06503	4.9
109.10150	15.7
111.08084	3.4
117.07003	2.8
119.08574	28.9
121.06485	5.9
121.10135	43.7
123.11697	18.9
129.07024	3.6
131.08548	14.1
133.10133	30.2
135.08070	15.9
135.11678	17.5
137.09537	3.9
139.11140	5.2
143.08533	4.9
145.10086	23.1
147.08015	32.6
147.11667	16.2
149.05945	4.2
149.09569	6.2
149.13239	3.3
151.11125	3.0
155.75722	2.3
157.10068	5.6
159.07959	2.8
159.11682	14.1
161.09682	6.1
161.13237	5.8
163.11151	11.9
169.10120	10.0
171.11719	9.1
173.09622	9.4
173.13191	5.2
175.11131	4.1
175.14796	18.4
177.05428	5.8
181.09956	3.5
183.11702	3.5
185.09766	4.0
185.13228	11.5
187.11151	5.0
189.12697	6.0
195.11559	2.9
197.13260	3.4
199.11186	2.5
199.14853	5.4
209.13251	3.7
210.96764	2.7
221.57025	2.9
223.14949	4.1
227.14363	3.8
228.49956	2.7
233.15623	2.6
239.17917	3.6
245.13773	10.6
255.21060	9.9
265.19507	10.1
283.20493	47.4
301.07074	10.0
301.10428	4.9
301.16284	8.9
301.17886	11.3
301.21518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
60.04497	1.6
60.45681	1.1
62.56304	1.2
64.06038	1.3
67.05493	3.0
69.07051	2.6
76.42322	1.1
79.05506	1.5
81.07061	12.6
91.05439	1.8
93.07035	5.6
95.08591	17.3
105.07011	16.0
107.08580	19.2
109.10153	37.0
119.08572	28.7
121.10162	10.4
123.11675	5.9
131.08556	3.0
133.10143	23.5
135.11667	5.3
137.59138	1.7
145.10110	16.0
147.08121	2.4
147.11684	21.6
151.11157	6.9
154.62955	1.3
157.10074	2.9
159.11690	13.3
161.13289	9.9
171.11584	1.3
173.13268	6.2
179.10666	8.4
185.13210	5.8
191.10640	1.8
193.12228	8.3
199.14803	8.4
201.48273	1.3
205.12183	5.4
207.13881	2.1
213.16362	2.6
227.17886	5.4
245.15387	12.2
255.21054	42.5
283.20490	8.4
301.21582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
52.51830	0.6
52.88104	0.7
53.03951	0.9
55.05502	3.4
56.05031	1.8
56.28795	0.6
57.03428	0.7
57.07061	1.3
60.98732	0.6
62.36797	0.7
62.64415	0.7
67.05492	5.3
68.55211	0.7
69.03400	1.5
69.07053	4.9
69.93689	0.8
79.05481	3.3
80.69398	0.7
81.03410	5.7
81.07051	11.6
83.08617	3.7
91.05463	5.1
93.07034	8.9
95.04943	1.3
95.08606	10.4
97.10152	1.5
102.94684	0.8
105.07035	7.7
107.04948	1.0
107.08600	10.9
109.06513	3.5
109.10147	6.4
117.06969	1.7
119.08569	19.1
121.06493	1.4
121.10137	11.7
121.16933	0.7
123.11705	8.8
131.08543	7.9
132.05673	1.0
133.10123	28.1
135.08055	13.7
135.11667	4.2
137.09581	1.8
141.18298	0.7
143.08522	1.5
145.10165	6.9
146.83847	0.8
147.08038	38.7
147.11678	6.3
149.09608	4.9
149.13234	3.7
155.08470	0.8
157.10126	1.7
159.08057	3.1
159.11642	1.6
161.09572	3.8
163.11171	3.3
171.11624	1.6
173.09592	5.3
173.13219	7.4
175.11130	1.2
175.14822	11.4
179.01279	0.9
183.11667	1.2
185.09622	1.4
185.13237	3.5
187.11183	1.6
189.12758	1.5
197.13248	1.2
199.14870	0.9
201.12680	1.3
213.12677	1.1
232.58859	0.8
255.20898	1.2
265.19565	0.8
265.27228	1.8
267.45050	0.7
283.20554	14.0
283.28214	17.4
301.21585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2157
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
55.05478	2.0
67.05502	12.0
69.07052	2.4
80.62370	1.2
81.07035	21.7
93.07010	6.5
95.08578	25.8
97.10105	1.4
105.06989	10.0
107.08589	11.8
109.06470	1.8
109.10142	41.2
118.21185	1.2
119.08564	7.5
121.10098	3.0
122.47904	1.4
123.11668	11.3
131.08540	6.7
133.10110	16.9
135.11629	1.9
135.89604	1.5
143.08565	13.8
145.10103	22.5
147.11667	29.8
151.11128	7.5
157.10081	3.3
159.11623	19.9
161.13199	17.9
163.14772	1.5
171.11687	9.3
173.13200	17.4
179.10632	5.4
185.13210	9.1
191.10591	2.7
193.12187	9.1
199.14790	36.4
205.12218	10.9
207.13760	5.7
213.16330	9.3
217.12183	3.1
227.17886	7.5
241.27199	2.9
242.84236	1.8
245.15315	5.6
255.21021	95.1
283.20584	4.9
301.21548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
51.98755	0.6
53.58621	0.6
57.07067	0.6
58.29632	0.7
67.05493	6.0
69.07056	1.7
79.05453	2.6
81.07048	11.7
83.08627	0.9
91.05476	1.8
93.07039	6.0
95.08591	17.4
105.07020	17.1
107.08578	16.8
109.10142	39.1
109.79632	0.8
111.08022	0.9
119.08559	30.2
120.82221	0.7
121.10121	10.7
123.11757	6.0
123.12505	0.9
125.09579	0.8
131.08545	4.4
133.10110	24.5
135.11627	5.3
143.08531	1.5
145.10110	19.0
147.10561	1.1
147.11670	20.8
149.13248	3.1
151.11157	9.8
157.10126	1.8
159.11664	10.6
161.13211	12.6
165.12680	1.0
171.11610	1.8
173.13199	6.7
175.14819	1.8
179.10634	9.8
185.13248	4.2
191.10626	1.7
193.12177	8.0
199.14792	15.1
205.10573	0.8
205.12097	5.5
213.16321	5.4
219.13666	1.2
227.17891	8.0
245.15331	12.8
255.21019	55.3
273.22217	1.1
283.20471	5.9
301.21567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	17beta-Hydroxy-2-methylandrost-1,4-dien-3-one
Peak:m/z	Relative Intensity
51.50480	0.4
58.67828	0.4
67.05487	3.0
69.03402	0.6
69.07023	0.6
72.84665	0.5
79.05490	2.3
81.07047	6.3
83.08636	0.7
91.05468	1.0
93.07027	6.4
95.04975	5.9
95.08576	6.9
97.06540	0.8
97.10168	0.5
105.07033	4.3
107.04930	1.1
107.08591	7.0
109.06516	1.1
109.10141	4.7
117.07032	0.8
119.08553	5.6
121.06493	2.1
121.10134	10.7
123.08048	2.6
123.11691	2.6
123.85148	0.5
129.06963	0.9
131.08559	3.3
133.06454	0.9
133.10146	4.5
135.08051	2.7
135.11678	3.8
137.09587	0.5
143.08557	2.8
145.10081	3.6
147.08017	4.3
147.11659	2.5
149.09572	2.2
155.08562	0.7
157.10104	5.7
159.08011	0.7
159.11700	4.1
161.09627	2.3
161.13246	2.0
163.11148	0.8
169.10164	2.6
171.11646	4.5
173.13246	3.3
175.11221	4.0
175.14804	0.8
183.11649	1.0
185.09607	1.2
185.13235	2.4
187.11101	4.1
187.14764	2.2
188.11919	0.6
189.12706	2.8
195.11684	0.6
197.13205	2.6
199.11212	1.2
199.14830	3.2
201.12759	1.2
201.16389	1.0
203.14322	2.2
211.14825	0.9
213.12625	1.2
213.16374	4.2
215.14301	1.2
225.16359	2.0
227.14291	2.9
227.17938	1.0
231.13832	2.1
231.14920	0.5
231.17393	15.7
237.16299	1.1
241.08620	0.7
241.15839	3.3
243.17313	2.2
253.19420	0.7
254.48907	0.5
255.17374	2.1
255.21074	1.1
257.18961	5.4
265.19421	1.2
271.20605	2.8
273.18393	1.1
283.17218	1.7
283.20450	14.7
301.18011	25.1
301.21588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one
Peak:m/z	Relative Intensity
50.34280	0.5
67.05482	2.5
69.07061	0.9
79.05454	0.8
81.07037	4.3
83.08607	0.6
91.05460	2.8
93.07037	4.6
95.04945	0.8
95.08617	5.4
97.06504	0.7
105.07005	7.9
107.08578	7.9
109.06498	2.7
109.10131	5.3
111.08092	1.0
117.17286	0.6
119.08540	6.2
121.06515	1.1
121.10121	8.1
123.08050	3.3
123.11716	1.1
125.09634	0.9
131.08546	3.2
133.06551	0.9
133.10129	13.0
135.08038	2.9
135.11707	3.6
137.09583	3.3
143.08560	2.8
145.10130	6.9
147.08069	5.4
147.11667	3.8
149.13225	1.1
157.10103	3.8
159.08076	1.3
159.11693	5.3
161.09596	33.0
161.13300	1.4
163.11139	4.6
164.76416	0.6
169.10121	0.8
171.11714	3.8
173.09560	1.2
173.13254	3.8
175.11186	5.2
175.14816	1.1
177.12682	1.1
181.10054	1.1
183.11653	3.0
185.13264	3.6
187.11189	1.5
187.14803	1.1
189.12755	1.5
195.11662	3.8
197.13280	3.0
199.11043	0.8
199.14798	3.4
201.16408	0.8
203.18410	0.6
209.13190	3.9
213.12740	3.3
213.16389	1.4
215.14336	1.0
217.16003	0.8
223.14803	1.5
225.16266	1.4
227.14291	4.2
229.15688	1.3
239.17899	1.0
241.19420	1.2
243.17577	0.9
250.17068	3.1
253.15826	1.0
255.17540	0.8
255.20940	5.3
265.19434	5.2
268.18146	3.8
283.20486	16.1
301.07452	3.3
301.21585	100.0
301.83978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
57.03424	3.0
57.07060	1.9
61.02911	3.1
69.03409	8.3
72.08150	25.0
72.30896	1.4
73.02896	1.8
81.03410	3.4
85.02399	3.6
85.02892	79.1
86.09692	15.9
95.04958	5.9
97.02872	41.9
98.09724	1.9
98.97604	3.5
99.04472	2.4
99.07407	1.8
103.03931	8.8
108.08130	3.2
109.02848	10.8
116.98566	2.0
118.66473	1.7
121.02863	9.0
121.48553	1.6
122.06019	1.8
123.04401	27.1
125.05973	3.7
126.05456	3.4
126.09145	2.1
126.27186	1.8
127.03929	18.2
128.07043	7.2
136.07561	9.8
138.05476	15.4
140.07040	41.0
140.20625	1.8
141.08821	1.7
143.11789	12.7
145.04929	14.1
149.06075	2.8
150.94165	1.6
152.07019	20.1
154.08636	11.6
161.05933	66.5
163.05959	2.9
164.07043	23.6
165.05423	7.9
171.11249	3.9
175.07533	3.8
178.08626	24.7
179.07050	15.9
182.06467	3.9
182.08081	100.0
203.07050	9.7
206.08118	36.2
218.08115	2.2
219.01842	2.5
220.96405	1.8
221.08060	23.7
236.09103	2.3
248.09160	8.1
267.08823	2.4
279.04303	2.8
285.09708	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
61.02903	2.1
63.48494	0.5
67.05163	0.5
67.05499	10.5
69.03430	10.2
69.07064	3.9
70.06571	0.5
71.04987	0.8
73.02903	1.1
76.89707	0.5
81.03403	3.5
85.02900	28.7
86.09692	9.4
89.32678	0.5
94.06560	0.5
95.04958	38.5
97.02879	28.9
99.04429	0.9
100.09680	0.5
103.03934	3.0
109.02872	6.8
110.92113	0.4
112.07591	32.6
113.01530	0.5
113.06022	1.1
122.06067	0.9
124.07568	2.0
127.03909	6.1
136.07574	2.5
140.07054	100.0
145.04919	2.8
154.08614	7.4
175.63124	0.5
178.08633	3.3
182.08105	50.0
199.18137	1.2
206.08121	10.0
218.08096	0.9
227.17546	0.6
236.09010	1.1
248.09125	4.8
266.10187	0.7
284.11319	1.2
302.06488	1.1
302.12418	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	302.1495
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
55.01861	0.6
61.38919	0.6
70.06583	21.6
86.09694	1.0
91.71427	0.6
95.09515	0.6
104.85703	0.6
105.03364	0.7
114.05510	21.5
116.07063	21.4
125.07074	3.6
130.06488	15.0
132.07060	1.0
132.08061	26.2
142.06467	1.3
144.08055	13.0
144.09087	1.0
157.67729	0.7
159.09143	100.0
160.07535	3.1
170.05954	24.1
171.07610	4.0
172.07562	4.7
183.08041	1.2
211.07585	1.1
239.07063	8.8
256.09613	1.4
257.12860	3.0
266.35001	0.6
285.12277	40.0
302.10254	2.8
302.14926	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	303.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85015	0.1
51.74553	0.1
59.61095	0.1
63.46189	0.2
78.95246	0.2
80.94948	0.4
98.97550	0.8
116.98586	0.2
119.01878	0.9
137.02982	0.2
150.76787	0.2
177.00992	1.2
218.03673	0.2
219.01978	5.4
220.02080	1.0
225.00728	1.9
226.01009	0.3
240.97005	0.3
243.01898	7.8
243.04263	0.3
244.02132	1.5
244.07774	0.2
256.96567	0.3
258.98135	0.9
261.02994	100.0
262.03134	21.6
263.03467	0.4
279.00476	0.2
279.98358	0.2
284.04468	0.8
284.96063	1.6
284.99753	3.2
285.04648	0.4
302.93817	0.3
302.97101	2.8
303.00797	4.9
303.04428	3.5
303.05582	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	303.0858
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
55.05497	1.7
56.48757	1.2
61.67022	1.3
69.07043	2.1
69.96492	1.4
70.03521	1.3
81.07038	9.1
91.00583	1.4
91.05460	3.0
93.07030	3.4
95.04929	2.4
95.08576	8.8
105.07000	6.0
107.08570	9.8
109.06483	3.0
109.10126	6.4
111.08028	2.1
117.07012	1.5
119.08546	6.7
120.82950	1.4
121.06469	3.6
121.10108	6.6
123.08013	1.8
129.06926	1.6
130.05020	1.4
131.08542	2.9
133.10135	6.1
135.08051	2.1
135.11636	2.6
137.05949	62.5
138.82220	1.4
144.05673	6.9
145.10094	6.1
147.08049	3.4
147.11676	8.4
149.09563	3.2
155.04903	7.8
157.10094	5.5
159.08028	3.0
159.11708	3.0
161.13226	1.9
169.10072	2.2
173.13141	2.5
177.05437	3.6
177.12784	2.1
183.04382	29.6
184.05182	2.6
185.13173	2.1
187.07474	19.9
187.11118	3.0
197.06013	1.8
197.13228	1.8
200.04585	10.9
200.55295	1.5
201.12643	2.0
201.16380	1.8
211.14656	2.7
215.06973	100.0
225.16377	1.5
232.07304	2.8
239.17920	2.0
242.05847	1.6
243.17267	1.6
247.09590	11.5
257.07928	1.9
267.17383	2.1
267.20859	1.7
270.44589	1.6
275.09149	2.5
285.18414	9.6
285.21829	3.0
303.08603	38.2
303.19458	28.9
303.23071	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	303.1069
Annotation	Isotachioside
Peak:m/z	Relative Intensity
53.03939	1.9
55.05506	33.2
57.03412	1.8
60.42375	1.2
69.03419	40.7
70.06596	1.5
71.04980	6.5
72.08144	2.3
72.43664	1.3
73.06544	96.2
81.03405	20.8
85.02886	16.2
86.09676	11.6
87.00801	2.6
92.67448	1.3
97.02887	13.8
99.04433	14.7
100.11226	2.5
101.05338	3.4
101.06001	100.0
102.99688	1.4
109.02830	10.1
110.07148	2.8
111.04415	2.2
119.77173	1.5
127.03884	13.7
133.05922	1.5
134.55688	1.5
143.03365	7.9
145.05049	1.6
171.02872	1.5
174.81590	1.5
181.08585	2.7
199.09627	3.5
213.03957	2.7
228.32686	1.5
231.05023	6.2
285.09644	16.6
303.10663	17.8
303.15958	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	303.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20096	0.3
57.27443	0.3
58.38512	0.3
60.08508	0.4
67.48161	0.4
86.09664	0.7
86.98036	0.3
87.10036	0.4
91.05429	0.4
94.04182	0.5
103.47148	0.3
105.06986	0.3
107.08584	0.4
122.03632	2.8
127.09607	0.4
130.71855	0.4
137.05960	100.0
145.14119	0.4
149.05934	0.7
160.95876	0.4
162.06288	0.6
172.84035	0.4
177.05582	0.4
181.06601	0.5
213.09044	1.4
222.08443	0.5
241.08607	0.5
253.08414	0.4
303.04755	0.5
303.19608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79617	1.1
53.79900	0.9
53.81414	0.8
54.55385	0.9
54.64510	1.0
55.01860	1.9
55.05509	1.0
56.47480	1.0
56.96547	2.5
57.58887	0.9
60.19689	1.0
61.01140	1.2
61.02907	1.2
69.03402	4.6
70.06573	5.0
71.04974	30.2
72.08141	2.6
72.60561	1.1
73.02918	2.0
75.34093	1.0
79.02190	11.0
81.03381	1.0
84.04487	1.9
84.08124	9.2
85.02910	8.2
86.09676	1.3
97.02844	5.1
98.06030	47.0
98.97567	1.4
99.04432	44.9
116.07059	35.8
116.07806	1.9
116.98546	1.9
117.02879	1.6
127.03869	1.7
129.10225	8.6
130.04950	1.5
134.97858	2.5
138.05479	4.5
140.07021	6.1
142.08618	5.1
146.91809	8.4
147.07671	1.4
152.05623	1.2
152.07013	2.0
152.98901	2.6
155.01810	1.8
157.09619	1.8
159.00664	6.4
164.92834	1.8
166.08485	1.3
170.07980	1.5
173.02878	2.1
176.07059	13.0
178.08566	5.6
179.98474	1.2
183.00600	10.4
183.04977	1.3
188.09161	15.5
190.08594	5.0
195.00612	2.7
201.01778	1.6
208.09581	1.7
218.08109	9.9
220.09645	1.8
235.08553	1.3
235.10721	9.0
238.10677	5.4
238.98225	1.3
245.05090	2.3
250.10672	13.3
283.64395	1.2
285.14429	5.6
303.15445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17447	1.6
59.56980	1.4
61.98409	1.4
73.03703	1.4
77.46854	1.6
81.07035	3.4
93.07040	2.1
93.32471	1.4
93.99066	1.5
95.08560	3.7
103.72876	1.6
105.07025	6.1
107.08533	2.4
109.10120	3.7
119.08555	2.0
123.11664	10.1
133.10080	3.3
147.11690	2.6
153.00291	9.2
155.01839	21.3
162.58290	2.0
171.01338	100.0
177.12677	2.0
194.02919	2.6
215.14290	2.0
218.61879	1.7
221.10150	11.7
233.02527	1.7
237.09682	23.0
244.16876	3.0
267.21051	2.1
285.17188	2.1
285.22107	10.8
303.17883	31.0
303.22952	25.3
303.30774	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	303.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45058	2.3
54.62398	2.4
76.82976	2.6
79.39542	2.9
81.07051	3.9
95.08571	6.9
105.06993	5.6
107.08637	3.8
109.10117	6.3
111.08080	11.4
116.14909	2.8
121.06513	3.2
131.08585	5.6
132.55794	2.9
133.10091	3.0
137.05957	100.0
137.68945	3.1
143.08571	2.9
145.02818	5.6
145.10161	5.2
159.11690	4.7
164.42822	3.0
169.10149	3.5
173.13182	3.1
177.05431	15.5
184.50900	2.6
185.13258	3.8
206.73296	2.9
211.14784	4.5
222.76048	2.7
239.17758	3.1
262.48718	3.2
285.18674	6.5
285.21759	5.9
303.12445	4.3
303.15942	10.5
303.19492	19.0
303.23111	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	303.1952
Annotation	18-Nor-4,15-dihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
54.30805	1.8
67.05499	5.3
69.03430	3.7
69.07049	5.3
79.05495	2.8
81.07050	20.6
83.04997	3.0
91.05436	3.9
93.07015	13.9
95.04932	5.4
95.08595	12.5
97.06524	24.5
105.07038	18.8
106.33999	2.2
107.08586	14.6
109.06486	11.8
109.10130	3.0
117.06997	4.7
119.08555	10.0
121.06449	3.6
121.10148	4.3
123.08047	4.0
123.11695	2.4
125.05972	80.7
129.06982	9.4
131.08572	16.4
133.10130	10.6
135.11667	4.1
137.05890	2.7
143.08543	15.2
145.10103	13.1
147.08092	4.7
147.11649	4.4
149.09573	3.9
155.08527	10.0
157.10153	16.2
159.08057	2.7
159.11667	11.4
161.09654	2.7
161.13260	5.2
163.11166	2.9
169.10080	14.8
171.08105	3.8
171.11641	10.0
173.09596	4.9
173.13290	3.6
175.07538	2.9
177.12654	4.5
181.10046	4.4
183.11656	66.3
185.13220	23.2
187.11137	5.6
187.14775	3.7
195.11784	4.1
197.09460	3.0
197.13200	35.7
199.11203	36.2
199.14717	16.3
201.12756	10.3
203.10687	2.6
211.11172	9.4
211.14742	4.3
213.12723	12.7
223.14708	3.7
225.12886	3.2
225.16344	23.7
226.13544	5.3
227.14218	3.5
229.12277	18.9
237.16342	2.5
239.17921	55.9
243.13760	4.1
243.17471	5.1
249.16426	3.7
255.17384	45.8
257.15332	4.4
257.18967	13.5
267.17450	17.8
285.18454	100.0
285.21729	6.2
303.19550	89.0
303.22986	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	303.1949
Annotation	CHEBI:85575
Peak:m/z	Relative Intensity
61.84966	0.7
67.05491	3.5
69.07056	1.3
76.51521	0.8
79.05473	1.7
81.07052	9.3
91.05415	1.0
93.07017	6.5
95.04940	0.9
95.08595	25.5
105.07004	4.0
105.30553	0.8
107.04901	1.3
107.08586	6.3
109.10126	3.7
119.08529	4.9
119.11797	0.8
121.06454	1.6
121.10161	6.5
123.08045	100.0
123.11633	0.9
133.10155	2.2
135.08070	1.2
135.11658	5.4
138.63692	1.0
143.08539	1.1
145.10120	4.7
149.05956	8.2
149.09639	1.2
155.08528	1.0
157.10110	1.9
159.08020	1.3
161.09561	1.1
163.11154	8.3
167.50632	0.9
169.10040	1.4
173.13179	1.0
175.11218	1.2
183.11650	3.9
187.11095	5.1
189.12714	0.9
197.13278	1.1
199.14911	1.2
201.12796	1.6
211.11166	1.4
215.17870	1.1
229.12239	1.7
239.17909	3.9
242.16541	3.5
243.17368	16.2
257.15347	3.6
257.18961	21.0
267.17383	3.9
285.18442	38.6
285.21552	3.8
297.47525	0.9
303.19492	85.9
303.22610	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	303.1947
Annotation	Epimestrol
Peak:m/z	Relative Intensity
57.07051	0.6
67.18745	0.5
69.07051	0.5
71.30677	0.5
71.68744	0.5
76.56290	0.5
79.05501	0.7
81.03426	0.5
81.07031	3.1
83.04953	1.0
85.06477	0.7
91.05457	1.0
93.07008	4.7
95.08578	2.3
96.83815	0.6
97.06467	0.5
105.06992	2.4
107.08575	5.6
109.06471	4.0
109.10117	1.1
113.86533	0.6
117.06956	0.9
119.08546	11.9
121.10106	10.0
123.08036	0.9
123.11630	0.7
125.09543	0.8
129.06944	0.5
131.08559	4.6
133.10081	5.3
135.08041	2.4
135.11636	1.0
137.09579	2.3
143.08528	0.9
145.10068	3.5
147.08003	9.4
147.08983	0.8
147.11714	0.8
149.09587	1.1
149.13199	3.7
155.08521	0.7
157.10088	2.2
159.08018	2.4
159.11649	14.3
161.09489	0.6
167.07101	0.5
169.10054	3.5
171.11646	1.9
173.09561	6.3
173.13185	0.7
175.10988	0.8
177.12654	6.4
183.11606	2.8
185.13229	1.1
186.10399	1.2
187.11098	7.9
187.14758	1.0
197.13254	2.4
201.12660	2.3
201.16371	3.7
203.14133	0.5
211.14839	1.1
215.14310	3.7
225.16205	0.9
229.15817	21.4
231.17474	0.8
239.17911	4.7
243.17389	1.2
257.18927	0.7
267.17337	5.4
285.18420	12.7
303.19458	100.0
309.18130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.195
Annotation	3-Methoxyestriol
Peak:m/z	Relative Intensity
51.49718	0.7
55.05500	2.0
57.07073	1.7
67.05488	5.3
69.07068	4.0
74.84042	0.9
75.41602	0.8
79.05482	2.1
79.57102	0.9
81.07069	7.2
83.04971	1.0
83.08607	3.4
91.05464	1.9
93.07022	10.0
95.08585	10.6
97.06498	1.4
98.45924	0.9
105.07027	11.2
107.04936	5.1
107.08581	12.3
109.06488	1.0
109.10130	12.5
111.08059	1.6
117.07001	1.7
119.08559	9.0
121.06466	1.1
121.10130	15.4
123.08036	1.6
123.11668	10.6
125.09612	4.2
129.07004	1.4
131.08560	5.7
133.10104	11.8
135.08026	3.5
135.11696	7.8
137.09618	3.6
143.08546	1.9
145.10101	7.1
147.08018	4.1
147.11688	12.7
148.35056	0.9
149.09605	14.0
149.13237	3.5
151.11214	1.2
155.08574	1.8
157.10106	5.4
159.11638	18.1
161.09525	4.4
161.13255	6.1
163.11151	14.0
163.14774	1.0
167.19731	0.9
169.10112	2.2
171.11670	5.1
173.13225	10.2
175.11198	8.6
175.14804	3.5
177.12743	7.2
183.11668	7.8
185.13220	4.9
187.11180	4.5
187.14810	5.8
189.09073	1.0
189.12730	6.0
189.16353	1.0
191.14197	1.3
195.13731	2.1
197.13271	6.7
199.11153	1.5
199.14868	1.3
201.12727	3.7
201.16423	4.2
205.19565	3.7
211.14769	8.0
213.16449	1.4
215.14268	6.2
215.17932	13.2
217.12209	3.8
217.15974	1.1
225.16342	1.2
229.12135	4.1
229.15903	4.0
229.19455	2.0
233.15288	4.0
233.18947	36.2
239.17870	11.4
243.17374	3.8
243.20995	1.4
257.18988	10.3
257.22586	1.7
267.17444	1.3
267.21002	3.6
273.08240	1.0
275.20099	4.5
285.18433	15.1
285.22119	10.6
303.19510	100.0
303.23141	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	303.2317
Annotation	Flexusine B
Peak:m/z	Relative Intensity
57.07056	8.5
62.27573	2.0
67.05486	9.4
69.07048	10.1
71.08617	12.1
79.05466	2.1
81.07056	21.9
82.86398	1.6
83.08601	2.9
85.10170	2.5
91.05403	2.2
93.07023	3.7
95.08595	20.1
97.10178	2.1
102.23556	1.8
105.07019	8.3
107.08575	11.3
109.10149	23.8
119.08544	8.0
121.10136	8.7
123.11695	39.1
131.08519	2.3
133.10126	7.4
135.08063	7.6
135.11732	2.8
145.10165	3.3
147.08051	35.0
147.11646	3.9
149.09549	2.1
151.33594	2.1
157.10100	2.4
159.11681	3.7
161.09564	3.5
161.13300	3.3
163.11244	2.1
171.11732	2.2
173.09503	2.1
173.13237	2.0
175.14841	3.6
180.25879	2.2
183.11804	2.2
187.11169	2.3
189.06502	1.9
189.12677	3.3
191.14223	2.0
201.12698	2.7
205.39000	1.9
211.14789	3.0
211.20514	2.5
225.16335	2.3
267.21075	3.7
285.22028	71.9
303.18866	8.0
303.23132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2314
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05498	2.5
59.91183	1.1
67.05494	6.1
69.03396	1.9
69.07048	7.5
77.99038	1.2
79.05480	6.1
79.90439	1.3
79.92150	1.4
81.07047	15.3
82.08593	1.2
83.08600	2.3
88.07611	5.7
89.07957	1.4
91.05448	6.7
93.07030	13.5
95.04957	1.3
95.08585	19.8
97.06521	2.7
97.10152	3.5
105.07025	26.4
105.95725	1.3
106.08656	2.2
107.08566	24.6
109.06438	1.6
109.10154	14.1
111.08054	2.0
119.08573	16.7
121.10117	13.7
122.06886	1.5
123.08023	2.7
123.11683	6.0
125.09595	9.6
131.08522	14.4
133.10109	22.2
135.08041	5.8
135.11644	8.8
139.11143	2.5
143.08545	3.4
145.10120	16.9
147.08038	3.3
147.11650	11.6
149.09560	2.5
149.13252	5.9
157.10078	9.7
159.11627	11.5
161.09549	3.6
161.13202	13.0
161.61954	1.4
163.11122	3.2
163.14809	2.9
169.10056	8.2
171.11635	10.9
173.13210	13.3
173.45209	1.5
175.14824	3.5
177.12694	2.7
183.11638	6.9
185.13205	6.2
187.14795	2.4
189.12720	2.4
190.45224	1.6
197.13177	7.3
199.14755	3.0
201.16348	9.5
203.14125	2.1
211.14815	6.8
225.16330	5.8
227.17799	6.7
229.15865	2.7
229.19533	1.9
239.17854	10.6
241.19630	1.6
255.20932	1.8
257.22546	2.8
267.21005	14.5
285.22058	45.0
285.29718	6.1
303.23120	100.0
303.30774	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	303.2317
Annotation	4-Hydroxyretinol
Peak:m/z	Relative Intensity
52.18882	0.5
53.03933	0.9
53.76657	0.5
55.05509	1.6
57.07061	1.0
67.05502	3.1
67.70844	0.7
69.03426	4.0
69.07067	9.8
71.04981	1.0
75.79028	0.6
78.01205	0.8
79.05492	4.0
81.03411	5.9
81.07056	17.4
83.04974	1.2
83.08620	1.4
85.10204	0.7
91.05469	5.8
93.07035	14.6
95.04973	2.3
95.08588	15.9
97.06514	3.4
98.72470	0.6
105.07037	12.6
107.04967	6.1
107.08585	19.2
109.06499	5.6
109.10143	16.3
111.08083	1.5
117.07008	3.6
119.08576	19.0
121.10133	12.2
123.08055	3.8
123.11674	9.2
125.09657	1.4
131.08554	13.3
133.10127	16.5
135.08041	33.0
135.09064	1.4
135.11674	9.6
137.06015	1.0
137.09604	8.3
143.08560	4.4
145.10120	14.2
147.08035	12.2
147.11674	13.5
149.09599	6.9
149.13229	6.6
151.11200	1.2
155.08537	1.7
157.10139	7.1
159.08041	3.7
159.11678	14.0
161.09555	8.4
161.13231	8.1
163.11127	3.4
163.14836	1.3
167.10585	1.0
169.10094	4.4
171.11682	6.7
173.09622	5.0
173.13206	8.1
175.11230	3.3
175.14912	0.8
177.12723	69.1
179.14270	1.0
181.10121	0.7
183.11659	11.3
185.09715	0.8
185.13234	8.7
187.11214	5.5
187.14815	8.2
189.12729	7.0
197.13231	9.6
199.11142	1.0
199.14780	5.2
201.09142	0.9
201.12715	5.0
201.16376	6.3
209.13385	1.1
211.11313	1.0
211.14803	4.3
213.16455	2.7
215.14362	8.5
215.17870	2.5
217.15823	0.9
217.19420	1.3
223.14845	1.1
225.12830	1.3
225.16357	8.7
227.14372	4.8
227.17969	3.9
229.12282	0.8
229.15948	3.2
229.19385	1.0
239.14272	1.3
239.17911	6.0
241.19467	1.1
242.13008	4.3
243.13898	1.3
243.17444	4.2
257.19016	4.4
257.22614	8.9
267.17447	7.8
267.21042	12.0
285.18488	100.0
285.22055	19.2
303.19482	17.4
303.23184	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	303.2313
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
53.34091	1.8
55.05509	15.1
56.11827	1.9
57.07065	4.7
59.00756	2.3
59.05009	23.3
67.05490	10.8
69.07078	16.6
71.04998	2.7
79.05481	4.6
81.07063	19.7
83.08614	16.5
85.06524	2.9
91.05467	5.1
93.07050	17.8
95.08612	29.7
97.06538	2.4
97.10162	2.2
99.08083	8.8
104.10737	10.4
105.07018	17.0
107.08577	25.7
109.10136	25.6
109.43475	2.5
110.55183	2.0
111.08070	3.9
113.09651	3.4
117.07005	5.1
119.08572	23.9
121.10090	15.7
123.11697	22.5
125.14009	2.6
129.06975	3.5
131.08556	97.2
133.10133	35.1
135.08060	2.3
135.11682	12.1
139.11174	5.0
143.08556	13.6
145.10106	20.4
146.63782	2.3
147.08075	3.7
147.11667	25.5
149.09602	3.4
149.13226	5.3
153.12593	2.5
155.08473	2.9
157.10144	28.1
158.61330	2.5
159.11684	32.4
161.13268	8.7
163.11147	3.1
163.14801	3.1
169.10136	9.4
171.11685	26.1
173.13225	34.7
175.11099	2.5
175.14790	4.1
177.12669	3.0
183.11650	19.0
185.13235	29.1
187.11214	4.7
187.14850	9.2
197.13255	23.7
199.14857	19.8
199.37564	2.3
201.16431	4.7
202.13557	9.6
203.14279	3.0
211.14702	15.7
213.16364	4.6
215.17825	3.2
225.16344	4.0
227.17981	12.6
229.15692	2.8
243.21075	2.4
245.19168	3.0
257.22723	4.6
267.21033	33.4
277.77563	2.1
285.22083	63.3
285.25000	4.0
303.23163	100.0
303.30762	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	303.2311
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.02395	1.0
52.10191	1.0
55.05504	2.8
56.68148	1.0
57.03444	1.6
57.07043	2.1
63.63524	1.2
67.05495	7.2
67.66355	1.5
69.07043	8.9
74.50121	1.1
79.05468	3.0
81.07044	14.2
83.04942	1.5
83.08601	2.5
85.06543	1.1
91.05464	7.3
92.17481	1.4
93.07013	14.3
95.04926	1.6
95.08580	25.4
97.06541	1.2
105.06989	16.1
107.08581	24.5
109.03559	1.3
109.06514	6.5
109.10130	33.5
117.07002	2.4
119.08553	27.4
121.06482	1.4
121.10114	55.8
123.08050	5.0
123.11690	10.4
125.09592	1.7
129.06981	1.6
131.08507	12.1
133.10103	19.6
135.08041	5.2
135.11665	37.2
137.09589	4.6
137.13269	1.3
143.08565	2.3
145.06482	1.5
145.10077	20.8
147.08026	12.9
147.11650	24.2
149.09576	6.9
149.13196	12.2
155.08580	2.2
157.10098	8.8
159.08076	1.7
159.11647	33.6
161.09599	1.2
161.13231	10.9
163.11145	7.2
163.14734	1.9
169.10097	9.0
170.10785	1.2
171.11646	12.1
173.09592	9.2
173.13252	11.2
175.11128	2.3
175.14828	4.8
177.12694	22.6
181.12199	3.0
183.11650	7.4
185.13254	6.6
187.11105	12.4
187.14729	9.4
189.12675	9.6
189.16290	1.4
195.13765	39.1
197.13205	11.8
198.68298	1.3
199.14781	5.4
201.12718	6.1
201.16408	10.4
203.14188	1.9
207.13783	10.9
211.14764	10.5
213.16373	1.7
215.14284	8.1
215.17943	2.0
225.16434	2.8
227.17947	7.8
229.15831	14.7
229.19489	5.9
233.15292	9.9
239.17876	5.9
241.19470	2.9
243.17397	5.4
243.21062	5.4
255.17406	1.3
257.18948	5.3
257.22610	16.9
267.17447	2.9
267.20999	17.4
285.18469	17.5
285.22086	57.6
303.19498	100.0
303.23114	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	303.2313
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05505	1.2
57.03394	0.6
57.07073	0.7
67.05488	3.1
69.03391	0.8
69.07043	4.4
71.04982	1.2
71.68776	0.6
77.74148	0.6
79.05470	1.6
81.07050	11.9
83.08607	1.0
84.28503	0.6
85.06535	0.8
91.05470	2.6
93.07036	13.6
95.08587	11.4
96.64084	0.7
105.07016	9.9
107.04910	2.9
107.07925	1.2
107.08588	23.7
109.06497	1.6
109.10149	10.7
111.08057	1.4
117.06959	1.1
119.07788	1.0
119.08551	13.5
121.06464	4.3
121.10123	12.3
123.08024	3.1
123.11683	12.2
125.08803	0.6
125.09630	7.1
131.08531	3.8
133.10127	8.2
135.08014	6.1
135.10733	0.8
135.11676	15.1
137.09579	4.4
137.13194	1.0
143.08502	1.0
145.10104	7.3
147.07971	2.9
147.11668	7.0
147.59682	0.6
149.09592	8.8
149.13216	1.6
151.11111	1.2
152.86809	0.7
153.09061	0.8
155.08517	1.4
157.10085	3.2
159.08035	6.3
159.11661	7.4
161.09604	8.0
161.13261	9.8
163.11145	57.2
163.14819	1.4
165.12703	1.3
169.10057	1.4
171.11618	2.4
173.09541	1.6
173.13234	4.7
175.11163	5.0
175.14807	17.1
177.12729	5.6
179.14246	5.0
183.11618	1.6
185.13210	3.4
187.11136	2.6
187.14819	5.4
189.12743	4.8
191.14200	0.9
197.13193	3.1
199.14821	2.8
201.12688	3.0
201.16289	2.6
203.14227	2.8
208.28413	0.7
211.14740	3.8
213.16225	1.4
215.14326	4.7
225.16379	1.0
227.17793	0.9
229.15823	10.7
229.19316	0.8
239.17865	1.4
241.19356	1.3
243.17291	3.4
243.20952	1.3
247.16922	1.0
257.22525	3.7
267.21042	8.5
285.18881	1.6
285.22125	18.5
303.19507	9.6
303.23096	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	303.2308
Annotation	Flexusine B
Peak:m/z	Relative Intensity
55.32414	3.1
64.51164	2.4
67.05476	3.1
75.48096	2.4
78.43382	2.5
81.07038	15.4
83.08610	3.2
88.07608	3.7
93.07009	16.0
95.08593	29.2
105.07035	5.8
107.08591	4.8
109.10122	28.0
119.08546	5.3
121.10101	7.0
123.11678	4.9
125.85194	3.2
133.10124	6.2
135.11661	3.7
137.09593	2.6
145.10104	7.1
147.11739	3.6
149.09549	4.3
149.13223	15.0
159.11664	6.0
161.13278	5.1
171.11678	3.1
173.13193	13.0
185.13185	3.7
187.14742	3.6
189.12665	4.0
197.13138	3.5
199.14792	3.1
226.95296	3.0
227.17958	3.5
243.21115	5.6
257.22794	3.2
261.51514	3.3
267.20953	6.6
285.22055	100.0
303.19815	6.0
303.23065	62.4
303.30804	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	303.2309
Annotation	4-Hydroxyretinol
Peak:m/z	Relative Intensity
55.01848	1.3
55.05490	6.9
57.03436	2.4
57.07064	1.7
60.77383	1.3
67.05491	2.2
69.03420	2.1
69.07052	3.8
73.87103	1.4
76.25446	1.5
79.05463	1.7
81.07043	11.7
83.04951	5.8
83.08600	3.6
91.05426	1.4
93.07005	13.1
95.04978	1.7
95.08078	1.5
95.08589	13.5
97.02437	1.5
105.07001	19.0
107.04976	1.4
107.07948	1.8
107.08559	13.8
109.06490	2.8
109.10118	8.2
111.08046	9.9
119.08553	18.1
121.10120	44.2
123.11677	21.7
125.09570	3.7
131.08583	3.0
133.10097	39.8
135.11646	14.1
137.09598	21.0
145.10100	6.6
147.11687	13.8
149.09572	49.4
149.13239	7.7
151.11206	1.8
157.10101	2.7
159.11650	8.0
161.09584	3.7
161.13211	8.1
163.11179	2.3
165.12715	3.6
169.10060	1.7
171.11610	2.9
173.13177	10.3
175.11150	7.3
175.14763	35.3
177.12744	3.8
183.11674	2.0
185.13271	2.4
186.02274	1.6
187.11142	2.2
187.14740	5.6
189.12657	5.5
191.14282	7.8
197.13260	6.2
199.14812	2.9
201.12704	3.3
201.16248	2.1
203.14351	2.3
203.17877	2.2
205.15784	2.4
211.14754	2.4
213.16217	2.4
215.14240	3.0
219.13640	1.8
225.16318	7.4
227.17978	2.8
229.15819	2.3
231.17377	3.2
247.16600	1.6
257.22647	6.9
267.20898	14.2
285.22031	61.5
303.23083	100.0
303.26663	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	303.2313
Annotation	lanigerol
Peak:m/z	Relative Intensity
50.55614	1.3
51.04423	1.2
51.26892	1.3
55.05500	2.4
57.07067	12.6
64.77703	1.3
67.05487	2.9
69.07040	3.6
71.08612	3.7
71.41032	1.3
75.40774	1.4
79.05479	3.4
79.77037	1.3
80.37955	1.4
80.41059	1.4
81.07041	13.0
82.36889	1.8
82.39590	1.4
83.08580	2.8
85.10189	3.4
91.05480	2.1
93.07027	17.2
93.85873	1.8
95.08570	18.7
97.10095	2.4
105.07017	8.6
107.04937	2.1
107.08595	14.1
109.10154	12.2
115.45335	1.5
117.06931	2.5
119.08558	8.7
121.10109	32.5
123.08050	2.9
123.11668	7.0
131.08525	7.4
133.10107	6.6
135.11688	14.2
143.08467	2.3
145.10103	55.3
147.11638	3.8
149.09598	67.4
149.13191	2.3
151.11156	3.7
154.94104	8.0
157.10083	1.7
159.11629	6.7
161.09608	2.4
161.13254	2.9
163.11140	13.7
172.95241	11.4
173.13229	2.9
175.11180	6.1
175.14813	3.0
177.12698	3.3
183.11562	2.4
185.13208	2.4
187.11116	2.5
187.14754	2.4
189.12746	6.4
190.96222	3.0
197.13286	2.6
201.12852	2.8
201.16293	1.8
203.14241	2.3
211.14767	3.4
213.16266	2.1
215.14336	2.7
227.17838	1.9
228.97827	11.3
229.15810	6.7
239.23756	2.2
243.17322	2.9
246.98886	16.0
267.20984	20.4
271.12662	2.4
285.18497	6.6
285.22061	27.7
303.19977	3.3
303.23111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2314
Annotation	Agallochin G
Peak:m/z	Relative Intensity
51.39314	0.5
55.05508	0.8
56.05031	0.5
56.22089	0.6
57.03425	1.6
57.07065	6.7
66.77564	0.6
67.05486	3.3
69.03432	0.6
69.06765	0.5
69.07066	9.2
71.04958	0.7
71.08627	5.9
74.06049	1.2
75.06380	0.6
79.05500	1.0
81.03391	2.3
81.07043	11.3
83.08619	5.5
83.23396	0.6
85.06548	0.8
85.10155	2.8
88.07622	6.3
88.08076	0.9
88.69408	0.5
89.07932	1.1
91.05459	3.8
91.69462	0.6
93.07018	3.9
95.08588	18.0
97.10139	1.0
99.08083	0.6
99.79285	0.6
105.06991	4.6
107.04908	0.7
107.08575	6.1
109.06550	0.9
109.10122	8.9
117.06909	0.7
119.08566	11.4
121.06449	0.7
121.10132	8.4
123.08117	0.6
123.11665	5.8
125.13240	1.3
131.08536	3.9
132.05675	1.4
133.10098	8.4
135.08043	13.4
135.11655	3.4
136.93073	3.0
137.13219	2.4
143.08502	1.0
145.10089	3.3
147.08022	75.3
147.11661	3.4
149.09584	3.9
149.13181	1.1
151.14799	1.5
154.94107	4.6
155.08527	0.8
157.10109	2.6
159.07956	1.2
159.11674	1.3
161.09595	6.6
161.13261	1.0
163.11189	0.9
169.10031	0.8
171.11624	1.6
172.95222	5.9
173.09624	4.7
173.13264	0.8
175.11157	1.2
175.14777	7.7
177.12706	7.5
183.11655	1.3
185.13206	1.1
187.11183	3.3
187.14803	0.9
190.96346	1.2
197.13405	0.9
201.12776	2.8
201.16429	1.1
215.14319	2.6
225.16335	0.9
227.17894	1.1
228.97821	11.3
243.25058	2.9
246.98836	5.6
262.11932	6.4
267.17804	0.8
267.21039	2.6
271.12509	2.9
285.00504	1.0
285.18475	8.6
285.22046	3.6
303.01593	1.3
303.23145	100.0
303.27081	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	303.2314
Annotation	Angustanol
Peak:m/z	Relative Intensity
55.05510	1.1
57.07074	3.2
67.05504	3.3
68.15987	0.6
69.07062	9.1
70.06596	0.9
79.05504	1.1
81.07049	11.1
83.08613	6.7
88.07617	4.0
89.07955	0.8
90.00143	0.6
91.05473	2.6
93.07032	3.3
95.08591	12.4
97.06519	0.7
97.10157	1.0
102.09152	1.1
105.06422	0.5
105.07006	5.0
106.08659	1.4
107.04855	0.7
107.08550	8.1
109.06481	1.4
109.10142	6.7
117.06977	0.7
119.08565	9.0
121.10120	6.3
123.11713	4.2
125.13276	3.8
129.06938	0.6
131.08575	3.5
132.05672	0.9
133.10095	4.6
135.08034	14.2
135.11717	2.4
137.13211	2.6
141.00317	0.5
145.10129	3.3
147.08031	93.1
147.11702	2.9
148.87743	0.5
149.09604	0.7
149.13242	2.5
151.14803	1.4
155.08566	0.8
157.10124	1.5
159.07939	0.7
159.11681	3.4
161.09567	6.2
161.13222	1.0
163.14828	0.7
169.10121	2.4
171.11681	7.9
172.08446	0.6
173.09581	2.4
173.13243	3.7
175.11110	2.3
175.14798	1.4
177.16376	6.7
183.11673	3.5
185.13205	1.3
187.11131	3.8
187.14777	3.1
189.12767	4.5
197.13223	4.7
199.22537	0.6
201.12714	3.2
201.16347	0.8
203.14287	1.5
211.14885	4.6
212.84991	0.6
213.16389	0.9
215.14304	3.1
217.15817	1.0
225.16435	3.1
227.17935	2.2
229.15874	2.4
256.85413	0.7
257.22427	0.7
267.20987	10.5
268.74347	0.6
285.22089	100.0
285.29785	2.7
303.23135	21.9
303.30820	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Agallochin G
Peak:m/z	Relative Intensity
51.52488	1.4
55.05502	2.6
57.07060	1.7
65.12688	1.6
67.05482	3.7
68.63974	1.5
69.07064	22.2
72.13538	1.4
74.87791	1.8
79.05479	6.7
81.07059	15.7
83.08586	2.3
91.05473	3.4
93.07030	11.5
95.08593	16.6
97.10124	2.4
105.07027	25.2
107.08588	9.7
109.06487	1.9
109.10157	19.3
111.11706	15.2
119.08581	15.0
121.10101	14.2
123.11673	13.0
131.08598	8.0
133.10072	12.6
135.08055	2.5
135.11679	8.1
145.10115	22.7
145.22060	2.0
147.08009	2.4
147.11685	51.4
149.09584	23.0
149.13205	6.5
157.10019	2.2
159.11707	7.7
161.09593	3.8
161.13251	6.4
163.11218	6.7
169.10170	2.0
171.11687	3.9
173.13211	7.0
175.11189	19.2
175.14835	3.2
177.12769	3.6
185.13179	2.9
189.12782	13.1
197.13205	2.1
199.14815	4.0
201.16238	2.1
203.14354	7.0
211.14754	2.4
255.21085	3.8
257.22623	2.9
267.21005	4.1
285.22165	23.0
303.19656	3.3
303.23132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
55.05509	5.9
57.03433	1.4
57.07073	1.5
67.05497	8.1
69.07063	26.0
71.04961	2.2
79.05477	9.4
81.07063	21.4
83.08603	7.4
91.05481	3.7
93.07034	20.1
95.04961	3.0
95.08598	30.9
97.06551	2.3
97.10157	3.9
105.07017	20.2
107.08601	46.6
109.06516	2.2
109.10176	25.0
111.08107	2.0
117.06994	2.0
119.08588	24.3
121.06482	7.2
121.10138	27.5
123.08084	11.6
123.11661	19.4
125.09669	3.1
125.13251	2.3
129.07021	2.7
131.08527	21.3
133.10109	38.2
135.08040	2.9
135.11653	15.4
137.05995	1.8
137.09608	3.2
137.13268	6.5
141.09094	2.0
143.08562	9.4
145.10143	21.6
147.08009	2.2
147.11687	45.9
149.09669	2.2
149.13231	14.6
151.11180	4.0
155.08536	3.8
157.10095	14.4
159.11674	20.9
161.13231	17.1
163.11142	3.9
163.14766	3.9
165.05457	11.8
165.12810	2.2
167.10689	7.2
169.10081	6.5
171.11676	13.4
173.13229	22.8
175.11157	7.0
175.14798	6.7
177.12733	4.0
179.07063	2.3
183.11697	10.3
185.13255	35.8
187.11330	2.3
187.14807	13.6
189.12764	2.5
189.16437	2.0
191.14304	2.4
195.70071	1.8
197.13206	16.9
199.14877	7.8
201.16435	2.2
205.16006	2.0
211.14828	11.1
213.16429	6.4
215.14291	3.1
217.19370	2.1
225.16336	8.9
227.18016	7.1
229.16002	2.8
238.16936	1.9
239.17860	3.1
241.19482	6.2
243.17323	2.0
245.19009	2.3
255.21069	2.7
257.18848	2.9
257.22638	6.5
267.21024	41.5
285.18555	7.5
285.22089	53.6
303.19516	21.9
303.23166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2523
Annotation	3-tetradecanoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.25523	1.2
55.05498	5.9
57.03415	9.2
57.07068	100.0
67.05495	17.1
68.36501	1.4
69.07050	21.2
70.22498	1.5
71.08617	80.9
79.03001	1.5
79.34877	1.4
81.07039	30.4
82.06752	1.5
83.08633	11.6
85.06552	2.6
85.10166	41.8
89.06059	2.0
95.08579	52.8
97.10130	8.2
109.10155	22.3
111.11697	6.6
123.11683	8.6
135.62488	1.6
137.13216	3.4
143.72264	1.5
147.13651	1.8
173.13257	2.1
211.20496	29.6
229.21602	7.3
285.21341	2.6
285.24210	47.2
303.19470	2.0
303.22919	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58247	1.6
55.05505	3.4
57.03422	3.3
57.06813	2.7
57.07073	70.8
62.05124	1.4
64.14526	1.6
64.81602	1.7
66.52197	1.6
67.05506	16.7
69.07068	24.8
71.08624	52.2
73.78571	1.8
74.06067	7.9
75.04438	1.9
75.16996	1.6
77.36819	1.8
81.07044	31.3
83.08604	11.7
85.10176	26.9
86.34524	1.8
91.05471	3.0
92.07053	2.0
93.07030	9.3
95.08591	58.4
97.10149	10.6
105.07012	9.7
107.08581	8.5
109.10138	30.7
111.07989	2.3
111.11695	7.5
119.08605	13.7
121.10109	9.1
123.08086	2.1
123.11696	14.1
131.08537	12.3
133.10138	17.1
135.08002	8.2
135.11658	7.0
139.82970	1.8
145.10118	9.1
147.08022	67.7
147.11659	4.2
149.13274	2.5
151.11195	2.4
151.14713	2.0
157.10161	6.6
159.11649	8.1
161.09627	7.5
171.11653	2.5
173.13225	3.4
175.14729	6.9
183.11630	2.7
185.13191	4.4
187.11151	2.7
197.13293	2.2
201.12685	2.3
211.20538	28.4
217.15837	2.1
255.21037	2.2
267.20917	6.9
285.21866	12.8
285.24490	39.7
293.24887	1.9
299.72684	2.0
303.23132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25083	1.4
57.35752	1.6
69.07053	3.1
71.43620	1.8
73.63514	1.7
93.61430	1.9
98.97585	2.6
104.99275	7.2
108.69235	1.7
114.09148	1.7
116.98594	3.8
120.46609	1.7
125.29415	1.5
137.06049	2.1
142.83308	1.6
144.07823	1.7
226.09749	4.1
227.10457	18.3
240.11238	32.1
256.10748	100.0
262.98190	2.5
268.10760	44.7
286.11813	69.9
299.30368	1.6
304.08246	2.3
304.08847	2.5
304.12869	53.1
304.17834	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	304.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54127	0.6
55.01864	0.8
57.03430	2.9
58.06558	1.0
60.04512	8.7
61.02910	3.7
68.42826	0.7
69.03406	9.4
69.07050	23.5
71.08614	15.0
73.02899	2.6
75.74374	0.6
81.03394	5.5
83.08620	1.1
84.04471	4.1
85.02882	59.5
86.02401	3.6
86.09673	1.1
96.08105	1.4
97.02863	37.6
97.06498	4.4
99.04445	3.7
103.03925	6.0
109.02838	8.5
114.09130	18.3
127.03873	14.1
130.06541	1.2
138.09090	3.9
142.08598	100.0
145.04935	4.9
153.06567	0.9
156.10143	4.2
170.09180	0.7
177.91035	0.7
180.10072	0.9
181.04938	0.9
184.09637	64.6
190.62117	0.7
197.04401	3.3
208.09651	15.1
220.09627	1.5
224.36926	0.8
238.10742	1.3
250.10628	7.0
286.12521	1.6
296.21671	0.7
304.13867	7.9
308.95422	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	304.1653
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
50.77415	0.9
55.05507	6.5
61.95657	1.1
72.08147	100.0
84.04477	1.4
98.06038	1.7
99.09216	1.1
116.07131	1.1
121.29610	1.1
127.08652	2.9
130.05028	1.6
130.06514	24.3
132.08081	7.4
144.08051	6.7
146.03185	2.1
146.05980	10.7
158.05908	1.5
159.09123	16.9
170.05977	2.5
177.05475	4.6
178.05769	5.7
188.07036	87.6
205.09711	35.4
207.96735	1.4
251.22023	1.5
287.13861	6.4
304.16577	32.0
304.26859	2.8
322.57733	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	304.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28746	0.8
55.27203	0.7
57.04714	0.8
60.04498	1.7
60.05626	2.1
70.02922	1.5
70.06590	6.8
72.08134	5.7
74.06052	1.3
84.04470	0.9
86.09692	17.0
88.03986	1.3
91.05441	4.1
92.17155	0.8
98.06039	17.3
100.07576	1.5
106.82767	0.9
114.05554	1.1
115.08656	1.3
120.08078	8.1
122.48723	0.8
127.05042	3.5
132.10211	7.5
142.08607	1.5
143.11725	0.9
145.06038	3.2
145.09706	3.7
159.11255	6.5
172.11186	1.9
173.09335	0.9
175.08615	6.2
185.09132	1.3
187.10762	3.6
189.12253	1.1
195.23853	0.9
200.10657	5.9
216.14836	1.8
217.13327	42.8
238.58882	0.9
240.13327	1.2
244.14388	5.6
245.12793	100.0
262.01199	1.0
272.58401	0.9
287.14856	4.4
304.17630	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	304.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16395	1.8
55.05507	4.1
59.42980	1.9
67.05491	4.6
69.07038	3.3
70.60036	2.6
72.19963	2.0
74.06075	10.4
79.05492	8.3
81.07053	16.1
82.07348	3.9
83.08595	2.4
93.07024	15.0
94.07372	5.3
95.08595	16.1
96.08948	9.0
105.07029	15.0
106.07348	4.8
107.08582	25.3
108.08920	13.3
109.10125	10.6
110.10471	5.3
119.08529	3.6
121.10115	24.7
122.10474	16.1
123.11671	5.1
128.19064	2.2
129.73915	2.4
131.08537	2.3
132.08894	3.4
133.10129	4.7
134.10458	5.1
135.11667	5.7
136.12053	4.4
146.10455	3.4
147.11658	12.3
148.12001	11.8
149.09576	16.7
150.09961	17.4
150.13538	2.8
151.15099	2.3
160.12006	5.1
162.13567	5.9
163.11182	3.8
163.14879	3.3
164.11469	2.9
164.15266	3.2
169.31172	2.1
171.11729	3.0
174.13577	4.5
184.12047	2.9
186.13512	2.8
190.13095	4.0
199.14783	2.6
200.15175	4.3
202.13185	2.9
212.15196	3.5
217.07303	2.6
228.18178	4.0
256.21378	41.9
268.21420	10.6
274.22403	62.2
286.22467	33.2
304.23453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0649
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.58976	1.5
53.50011	1.6
55.05479	2.4
58.56895	1.5
59.44673	1.5
68.02628	2.6
74.06075	1.5
81.07025	2.2
83.04953	7.1
86.09435	1.4
87.26119	1.8
93.06998	2.7
93.40116	1.5
95.04932	7.1
95.08541	3.5
109.10135	2.7
111.04416	26.5
119.08559	1.7
121.10076	2.3
123.04403	2.9
124.33595	1.9
135.07980	2.7
139.03860	25.4
147.07954	1.7
151.03851	32.1
153.01793	23.7
159.11646	2.4
161.13208	2.1
179.03339	84.5
193.04893	2.1
203.03355	2.1
217.04851	2.3
221.83728	1.7
233.04375	13.7
245.04382	6.6
246.05081	8.2
287.16257	2.0
287.19830	8.3
305.06464	100.0
305.17300	6.9
305.20978	8.9
313.46487	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	305.134
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
53.48808	0.5
54.51889	0.7
56.05016	2.9
58.06586	4.5
68.05042	1.0
70.06261	0.8
70.06589	13.6
71.04934	0.7
72.08138	0.8
84.08133	1.6
85.02879	1.4
86.06053	11.4
88.03975	1.1
96.52431	0.7
99.04447	1.0
100.07539	0.9
102.05530	3.9
103.03914	4.6
105.06550	0.8
112.07531	1.3
114.05516	81.3
114.09120	2.8
115.05800	1.2
116.07070	1.1
125.07065	1.6
126.32259	0.7
127.41696	0.7
128.07068	1.7
129.03110	0.8
130.04961	2.9
132.06554	1.2
139.96619	0.8
140.07094	6.4
140.07970	0.8
141.13957	0.8
142.04887	0.7
142.08624	29.9
143.08136	8.8
146.08151	9.0
158.04457	1.4
158.08113	17.0
160.09630	7.3
169.09694	8.4
185.09152	3.7
186.07602	100.0
186.09309	4.1
197.09151	4.7
204.08679	14.9
215.10289	0.9
241.11761	6.2
245.05067	1.7
259.12790	0.7
287.12244	46.4
305.06094	1.2
305.13388	49.9
305.16043	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	305.1742
Annotation	Prosolanapyrone II
Peak:m/z	Relative Intensity
53.96975	0.8
67.00565	1.0
67.05481	1.4
69.07043	4.5
71.04944	1.4
71.97379	1.1
77.00693	0.9
79.05456	1.8
81.03426	1.0
81.07043	8.7
83.04938	1.3
91.05464	2.5
93.07019	8.8
95.08588	11.2
97.06501	4.2
105.07027	10.9
107.04959	7.1
107.08581	10.1
109.06487	4.0
109.10163	11.8
111.08056	6.4
117.06963	4.1
119.08546	9.5
121.06480	5.2
121.10125	7.8
123.08036	4.4
123.11658	1.9
125.09544	1.3
129.07005	2.4
131.08539	14.3
133.10114	13.9
135.08060	4.9
135.11652	4.1
137.05952	1.5
137.09549	1.6
143.08536	7.4
145.10088	13.9
147.08005	2.1
147.11670	7.7
149.09581	5.6
149.13208	1.1
151.07584	1.4
153.09070	1.5
153.66714	1.0
155.08560	1.6
157.10120	16.4
159.08005	1.8
159.11682	10.0
161.09564	10.3
161.13226	2.4
169.10117	1.5
171.07988	1.5
171.11649	7.1
173.09615	5.9
173.13193	5.6
175.09914	1.0
175.11143	9.1
175.14774	14.3
179.10663	4.3
185.13219	2.3
186.07613	1.4
187.14813	7.2
189.12762	4.9
189.16374	13.0
191.10654	1.5
195.11775	2.1
197.13249	1.4
199.14821	12.2
201.09212	2.3
201.12683	1.3
203.14232	1.9
211.14865	1.5
213.16414	2.5
217.12227	2.2
217.15799	12.6
219.10139	6.4
223.14767	2.1
227.14287	4.0
235.13179	4.7
235.16853	25.0
237.11194	1.8
241.15831	5.3
241.19437	1.7
245.15294	4.5
251.17903	1.7
259.16837	8.6
259.20587	1.4
269.15912	1.4
269.18948	9.5
277.18011	1.7
287.16394	7.3
287.19989	10.6
305.17404	100.0
305.21039	32.1
305.24371	3.0
324.23914	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	305.1739
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
53.61540	1.9
55.05495	2.8
66.40363	2.0
67.05486	4.6
69.07039	4.0
71.04955	2.8
73.41853	2.7
79.05470	3.6
81.07039	24.9
81.51247	2.3
83.08515	1.9
85.06512	4.4
91.05453	3.7
92.16811	3.2
93.07008	14.7
93.47872	2.2
95.04941	4.7
95.08572	18.1
97.06493	4.9
97.10023	2.2
105.06989	20.0
107.08553	12.0
109.06469	3.4
109.10131	15.2
111.08045	2.6
119.08510	4.7
121.06470	3.6
121.10107	13.8
123.08027	3.1
123.11681	3.2
125.05922	5.2
131.08501	16.6
133.10081	12.8
135.07983	3.8
135.11673	16.2
143.08464	7.6
145.10075	9.2
147.07974	3.5
147.11624	4.9
149.13205	3.4
151.11147	2.8
155.08517	9.1
157.10115	10.5
159.11626	12.8
161.09598	10.9
161.13287	4.9
163.11200	4.0
169.10037	5.9
171.11667	13.7
171.24371	2.3
173.09631	5.7
173.13162	5.3
175.11234	8.6
175.14792	3.4
177.12761	2.5
179.14348	2.7
183.11700	8.5
185.13167	5.4
189.12712	3.1
197.13190	12.6
199.11191	3.0
199.14813	24.3
201.12807	3.2
203.14337	3.0
211.98692	2.4
213.12720	2.7
215.14305	4.5
217.15826	10.7
219.52423	2.7
223.14600	3.8
225.16296	2.9
227.14243	11.4
227.17909	4.7
241.15756	29.4
241.19452	4.4
245.15395	4.0
251.17981	2.7
259.16827	41.5
269.15796	2.3
269.18863	17.2
275.23730	2.6
287.16699	4.6
287.19989	29.7
287.23026	3.7
305.17386	100.0
305.21017	25.8
305.24701	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	305.2107
Annotation	16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
53.86723	0.5
55.05514	0.8
57.33550	0.5
67.05482	3.1
68.99760	0.7
69.07072	2.1
75.24744	0.6
76.33794	0.6
77.50101	0.6
79.05487	3.7
81.07054	11.1
86.82307	0.6
91.05454	0.9
93.07036	8.4
95.08595	8.8
97.06503	8.1
97.10139	0.8
98.03608	0.6
105.07011	4.0
107.08578	7.6
109.06515	0.9
109.10139	5.2
111.08062	4.6
119.08554	5.0
121.06487	6.2
121.10121	14.1
123.08048	7.6
125.09614	1.3
125.13460	0.6
129.35124	0.6
131.08525	2.6
133.10172	4.9
135.08026	2.9
135.11641	1.4
137.09604	3.0
139.11171	2.3
143.08510	1.5
145.10107	4.8
147.08025	7.2
147.11655	4.0
149.09598	17.3
153.05460	0.8
154.69234	0.7
157.10056	2.9
159.11659	3.4
161.09583	11.0
161.13237	1.2
162.74188	0.7
163.11159	19.6
169.10120	1.1
171.11638	2.7
173.09566	2.5
173.13257	1.3
175.11101	3.2
183.11696	0.9
185.09700	0.8
185.13222	3.5
187.11154	4.3
187.14677	0.7
189.12746	2.7
192.61246	0.6
195.11533	0.8
197.13252	1.4
199.11224	1.0
199.14784	2.2
201.12613	2.5
209.13277	0.9
211.14848	0.9
213.12712	2.7
215.14304	1.3
225.16301	0.7
227.14290	1.2
227.17899	2.4
229.15941	1.2
241.15834	2.3
241.19395	1.5
243.17378	1.4
245.18921	0.9
252.47598	0.7
257.19043	2.7
269.18903	8.7
272.17593	2.9
287.20020	16.6
305.10043	3.5
305.21063	100.0
314.22333	0.7
321.52213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2103
Annotation	19-Hydroxytestosterone
Peak:m/z	Relative Intensity
52.07296	0.7
55.05487	1.5
61.53627	0.7
69.03439	0.6
69.07051	1.1
69.34339	0.6
71.73709	0.6
79.05480	1.2
81.07043	11.4
83.08598	1.1
85.06520	1.2
86.09686	5.1
87.10009	1.2
88.40894	0.6
91.05447	1.1
93.07014	5.1
95.08595	5.6
105.07008	3.8
107.08560	7.0
109.06502	3.4
109.10138	1.7
111.08032	1.1
113.05997	1.1
117.06989	3.5
119.08549	3.2
121.06497	1.4
121.10123	4.5
123.08034	1.3
123.11695	2.8
124.08383	0.9
129.06981	1.3
131.08543	4.2
133.06488	0.8
133.10083	3.6
135.11646	6.4
137.05951	6.0
142.39554	0.7
143.08539	3.0
145.10083	5.3
147.08009	3.6
147.11659	3.1
147.12761	0.7
149.09560	1.6
151.07504	3.0
157.10104	6.1
159.08043	0.9
159.11653	3.9
161.09590	2.5
161.13173	2.5
163.11067	1.1
169.08609	2.5
169.10086	1.6
171.08046	0.9
171.11618	3.2
171.98972	0.8
173.09737	0.8
173.13213	3.0
175.09737	0.8
175.11147	3.7
175.14774	3.4
181.75491	0.8
185.09581	3.4
185.13229	4.0
187.11134	6.4
187.14839	1.6
189.12656	1.6
195.11626	1.4
199.11124	4.2
199.14777	1.5
201.12735	1.0
203.14299	3.7
204.14651	0.8
209.13274	0.9
211.14644	0.9
213.12671	33.2
217.12244	1.3
217.15858	2.6
219.17381	16.4
220.17722	41.5
227.14217	11.0
227.17952	1.5
231.13736	1.1
240.15027	3.1
241.15700	1.5
241.19490	4.4
243.17271	1.1
243.25084	1.2
245.19072	1.6
251.17967	2.6
259.20181	0.8
269.18936	47.7
287.19971	100.0
305.21039	16.7
305.26413	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	305.2108
Annotation	Agallochin I
Peak:m/z	Relative Intensity
55.05502	1.9
66.88510	1.5
67.05488	4.0
69.03413	2.0
69.07044	6.4
78.70879	1.5
79.05472	3.6
79.64651	1.6
81.07035	13.2
83.04947	1.6
83.08598	3.6
85.06520	1.9
93.07034	12.2
95.04956	2.2
95.08596	16.0
97.06481	2.3
97.10098	1.9
99.04419	2.3
105.06993	14.7
107.08585	14.2
109.06466	9.7
109.10105	10.3
111.08036	2.2
117.06995	2.5
119.08521	12.4
121.06490	3.8
121.10108	14.7
123.08019	4.0
123.11652	9.2
131.08510	7.4
133.06447	1.9
133.10109	30.3
134.18124	1.7
135.08052	8.3
135.11638	8.5
136.49739	1.6
137.05972	3.1
137.09558	2.2
143.08504	3.0
145.10080	10.1
147.11621	10.8
149.13313	5.8
151.03865	4.1
151.07532	3.3
157.06425	3.1
157.10054	10.8
159.11632	9.1
161.09489	2.0
161.13147	3.5
163.11107	2.7
168.94176	1.9
169.10091	2.4
171.11604	8.9
173.13171	3.9
175.11125	2.2
175.14737	10.3
181.00984	2.5
183.11607	6.0
185.05928	3.3
185.13188	8.1
187.11232	3.0
187.14760	3.3
189.12807	1.9
197.00531	18.4
197.13261	3.0
199.11090	3.7
199.14748	2.0
201.16171	2.1
203.10709	1.8
203.14316	2.1
205.01065	3.9
213.16208	2.1
215.01579	3.5
217.08586	3.4
223.02074	42.8
225.16393	4.1
227.14322	2.4
229.15880	1.9
241.19514	4.2
242.07156	2.0
245.07959	3.5
245.15327	1.8
245.18867	2.9
247.09492	1.9
251.17743	2.8
259.20474	2.8
262.08139	2.6
269.18826	10.0
277.10489	2.6
287.08777	7.1
287.20013	30.8
287.23090	3.5
305.09900	100.0
305.15417	3.4
305.17416	7.9
305.21039	33.3
305.24518	3.7
329.05908	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	305.2108
Annotation	Agallochin I
Peak:m/z	Relative Intensity
55.05500	7.7
55.81557	1.3
57.07063	2.8
57.73806	1.4
59.04987	8.4
67.05515	4.2
68.45225	1.5
69.07053	8.9
72.71971	1.4
74.35095	1.7
79.05476	3.4
81.07062	18.0
83.04967	2.5
83.08610	11.4
91.05471	2.9
93.06999	12.9
95.04943	3.7
95.08580	20.1
97.06519	3.8
99.57962	1.8
103.05470	1.9
105.07011	16.0
107.08576	24.0
109.06477	8.3
109.10159	16.4
111.08030	3.2
117.06969	2.4
119.08570	16.1
121.06478	10.0
121.10130	16.2
123.08037	2.7
123.11674	11.1
128.29941	2.4
131.04929	10.7
131.08553	9.1
133.06476	2.4
133.10135	27.2
135.08022	19.9
135.11694	13.5
137.05994	1.9
137.09557	2.6
143.08533	9.5
145.10133	13.0
147.08037	11.7
147.11664	9.8
149.09615	12.1
149.13196	3.3
151.07489	2.3
153.09137	1.7
157.10120	14.1
159.08054	2.8
159.11661	11.0
161.09578	8.1
161.13223	3.1
163.11067	2.5
169.10130	3.5
170.45883	1.8
171.11641	10.9
173.09589	3.3
173.13235	3.8
175.11151	9.3
175.14804	13.5
177.12759	3.2
185.09486	2.1
185.13231	9.8
187.11188	7.0
187.14812	7.3
189.09052	3.0
189.12737	3.6
193.12285	2.6
195.11761	2.2
197.13194	2.1
199.14803	10.4
201.16356	2.0
203.14313	4.2
205.12219	1.8
211.14760	2.0
213.12703	12.5
217.15836	6.8
225.16226	2.0
227.14339	3.9
227.17906	10.1
229.15901	2.3
231.13795	5.9
231.17268	2.1
241.19496	3.5
245.15335	3.7
245.18869	6.4
247.16951	3.4
251.17981	2.6
259.16910	1.9
259.20566	7.0
269.18945	15.8
284.06586	1.7
287.16800	2.8
287.20050	48.2
287.23376	3.4
305.17258	12.7
305.21078	100.0
305.24789	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	305.2106
Annotation	16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
55.05499	0.7
57.03434	0.5
57.07066	0.6
58.36627	0.4
58.81183	0.4
66.58503	0.4
67.05494	0.7
69.07047	2.0
71.04965	0.6
73.83631	0.5
79.05479	0.7
81.07036	2.4
82.11809	0.5
83.04961	2.6
83.08570	0.7
85.06524	0.6
90.94730	0.5
91.05458	0.8
93.07035	4.4
94.07497	0.5
95.08562	3.1
98.97559	0.7
104.99252	0.8
105.07031	1.2
107.08570	6.1
109.10101	2.8
111.08041	3.2
116.98581	0.6
119.08559	2.0
121.10116	15.6
123.08034	0.6
123.11669	1.0
131.08467	0.8
133.10100	9.8
135.11629	2.2
137.09586	3.0
143.08531	0.8
145.10063	1.8
147.07994	1.0
147.11642	1.8
149.09589	7.9
149.13214	3.3
157.10109	2.5
159.11658	9.9
161.09592	1.1
161.13112	0.8
163.11113	0.6
171.11626	3.7
173.13278	2.0
175.11140	7.2
177.12726	4.3
185.13162	2.2
187.14798	1.2
189.12700	2.6
199.14847	0.9
201.16393	0.9
203.14322	2.3
203.17917	2.2
213.16335	3.3
215.14087	0.6
217.15884	4.6
227.17883	2.1
231.17381	21.9
240.97731	0.7
241.19489	6.7
245.18983	3.2
250.35117	0.5
251.17773	0.7
258.98853	0.7
259.20578	2.0
269.19006	3.2
287.20013	10.0
305.15396	2.8
305.21042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.247
Annotation	Cleospinol A
Peak:m/z	Relative Intensity
52.70835	1.2
57.07058	7.0
58.06591	1.8
59.04988	1.7
62.14426	1.3
67.05459	1.8
69.07039	8.3
71.08617	6.0
75.60392	1.3
79.14126	1.4
81.07031	10.1
83.08623	6.3
85.36633	1.4
91.04935	1.3
91.05453	8.5
92.05795	3.3
93.07040	2.8
95.08570	12.6
97.10143	1.8
104.93144	1.4
105.07026	3.1
107.08554	6.1
109.06495	2.2
109.10139	10.6
111.08041	1.9
119.08555	1.5
121.10125	8.2
125.13269	1.8
133.10109	7.3
135.11678	2.9
137.09598	14.4
137.13220	2.6
147.11713	1.8
149.09584	74.4
149.13222	2.1
151.11206	2.0
151.14793	1.5
161.13187	1.8
163.11150	7.1
163.14763	2.5
173.13239	5.9
175.11154	1.9
175.14743	2.8
177.12810	1.9
177.16330	6.8
185.13226	1.9
187.14656	2.4
189.16341	2.1
191.14403	2.0
199.14761	2.3
211.93829	1.5
213.16281	2.4
213.24223	2.0
217.15887	1.8
219.17397	2.2
269.22522	15.2
287.23627	100.0
305.24661	28.7
305.30051	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	306.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39196	0.3
55.61549	0.4
57.07061	5.2
61.39015	0.4
63.54054	0.4
64.91362	0.5
70.04057	100.0
74.06083	0.8
80.39744	0.4
88.07587	0.8
95.08614	0.5
115.05405	0.4
137.05946	20.0
146.91899	0.4
151.03072	9.8
151.04218	0.8
190.14523	0.5
194.76237	0.5
305.09302	0.4
306.13589	18.7
306.20880	0.6
306.26315	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	306.1362
Annotation	zeleplon
Peak:m/z	Relative Intensity
81.07058	0.6
83.04858	0.5
84.05586	1.0
104.99270	0.5
105.86518	0.5
124.08715	1.9
125.01506	2.1
148.08624	0.5
150.10048	0.6
176.97714	0.5
195.70882	0.5
205.07744	1.2
253.41341	0.5
269.95554	0.5
276.73148	0.5
282.96497	0.5
288.12601	2.1
306.13583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61757	0.2
60.41520	0.2
69.07042	0.6
71.60015	0.2
76.83042	0.2
94.04140	0.4
95.08590	0.4
100.07601	0.3
105.06992	0.4
107.08511	0.3
109.10137	1.0
114.09155	0.4
122.03690	0.8
133.10129	0.4
135.11684	1.1
137.05959	100.0
152.75771	0.3
153.12740	0.4
170.15344	1.4
182.15378	2.8
233.92078	0.3
267.61414	0.2
306.20563	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	306.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.0
57.07074	4.0
60.59050	2.9
61.30215	2.9
67.05499	49.9
69.07053	8.5
72.04504	100.0
75.34081	3.7
75.73315	3.3
79.05470	4.3
81.07056	57.7
83.08611	6.0
93.07021	8.0
95.08607	50.3
107.08587	5.8
109.10135	29.0
114.09186	6.8
123.11712	6.8
125.58722	3.4
128.10709	13.5
135.11668	3.9
142.12306	5.5
151.83623	3.4
155.48277	3.4
170.15410	6.2
171.59525	3.5
188.54321	3.8
191.14284	4.2
306.27841	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86179	0.1
53.50960	0.1
58.76678	0.1
84.83148	0.1
117.43934	0.1
119.01906	0.7
137.02890	0.1
177.00917	1.1
217.04047	0.4
219.01987	4.9
220.79947	0.1
225.00768	2.0
227.99376	0.1
243.01938	8.6
261.03040	100.0
262.03427	0.1
263.03400	0.5
266.03525	0.6
283.96634	0.1
284.04636	7.8
301.97540	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	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
56.05046	0.9
57.03422	4.1
61.02921	1.4
66.56654	0.9
69.03417	25.8
71.04965	6.1
72.33318	1.0
73.02911	2.6
81.03410	17.9
84.04489	18.4
84.08125	38.8
85.02892	77.7
86.06059	1.6
86.09688	2.2
88.03977	1.1
97.02866	26.2
97.63180	1.1
99.04434	44.0
103.03924	90.7
109.02863	25.2
127.03885	100.0
130.04964	5.0
131.04489	1.2
133.95499	1.1
140.99727	1.2
145.04922	27.0
149.20850	1.3
163.05977	9.4
169.13329	5.2
175.90378	1.2
187.05916	10.7
205.07016	11.4
215.13826	17.6
243.16985	13.4
271.07983	1.9
289.09122	2.1
307.12875	5.2
307.16769	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1434
Annotation	N-Cinnamoyl Serotonin
Peak:m/z	Relative Intensity
55.05499	0.5
66.93504	0.3
67.05499	0.4
69.03422	0.4
71.04955	0.3
79.05466	0.4
81.07050	1.2
83.04929	0.3
83.08586	0.3
91.05457	2.1
93.07008	0.5
95.04906	0.5
95.08578	1.4
99.04430	1.1
105.06963	0.5
107.08556	1.5
109.06508	1.2
109.10152	0.6
111.08030	0.5
112.98604	0.3
117.06976	0.4
118.21072	0.3
119.04907	9.0
119.08561	0.6
121.06476	0.5
121.10115	1.3
121.28281	0.3
123.11667	0.5
125.09632	0.4
127.03876	0.6
131.04887	2.5
131.08542	0.7
133.10069	0.6
135.08034	0.4
135.11620	0.3
144.08047	10.8
145.10104	0.4
147.04373	100.0
149.09479	0.4
159.11630	0.4
161.10695	1.2
163.14665	0.3
173.13174	0.6
184.08240	0.3
203.14294	0.3
243.17403	0.6
261.18497	1.2
271.16858	0.6
271.20407	0.3
289.17929	1.9
289.21259	0.4
290.11743	0.6
292.07730	0.3
307.14450	5.4
307.18921	4.1
307.22321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.154
Annotation	Tenulin
Peak:m/z	Relative Intensity
55.05506	1.7
57.03416	1.1
58.08801	1.0
67.05500	1.0
69.07076	1.6
70.06585	1.1
70.45157	1.0
75.73528	1.3
77.83118	0.9
79.05501	1.5
81.07051	5.1
85.02916	1.5
88.07605	1.0
93.07042	6.8
95.04957	1.8
95.08586	4.3
97.06510	1.3
99.04456	1.6
105.07011	4.1
107.04959	1.3
107.08601	6.8
109.06499	2.0
109.10173	4.1
119.08565	5.3
121.06495	5.6
121.10124	10.4
123.08032	2.5
127.03968	1.3
127.83182	1.1
131.08560	4.1
133.10168	4.3
135.08073	2.5
135.11670	9.3
137.05977	1.5
143.08531	10.2
145.10124	6.3
147.08038	6.5
147.11719	1.5
149.09665	1.4
151.07571	1.4
155.08594	2.4
157.10114	16.5
159.08022	1.9
159.11720	4.5
161.09621	5.9
161.13284	1.7
165.05498	1.7
165.09065	1.1
169.10219	1.0
171.11688	4.7
173.09622	5.1
173.13315	1.6
175.11313	3.3
177.05399	1.5
183.11626	1.5
187.07576	3.8
187.11174	1.6
187.14757	1.9
197.13261	24.8
199.14836	28.6
201.09096	5.2
201.12756	1.2
201.20442	1.9
203.10699	1.1
205.08551	1.2
215.14311	6.7
225.12756	5.2
229.12268	4.1
233.04468	1.2
243.13771	43.7
243.17468	1.3
245.22914	10.8
247.13443	4.1
261.14822	46.9
271.17035	1.5
278.81046	1.0
289.14371	15.0
289.17896	4.0
292.07333	3.8
307.09622	5.1
307.15430	100.0
307.18973	9.3
307.22934	3.6
307.26636	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
58.06591	1.5
69.03397	3.7
70.85036	0.5
73.02885	1.2
81.03388	1.3
84.04492	19.0
84.08130	100.0
85.02887	9.8
86.06049	7.7
86.09688	4.3
88.03949	1.1
97.02853	3.1
99.04420	4.2
103.03927	10.2
109.02855	2.6
111.43723	0.7
127.03889	10.3
130.04936	1.2
130.08618	1.1
140.03366	0.7
141.13829	3.3
145.04903	3.1
151.03893	0.7
163.42732	0.7
169.13318	13.6
198.11215	0.9
215.13870	43.0
243.01590	1.1
243.11481	0.8
243.16982	31.9
253.71840	0.8
261.02780	2.7
261.08286	0.7
262.11044	3.9
265.00854	1.1
265.04630	2.7
289.11801	1.2
307.08713	1.1
307.13214	1.6
307.16772	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	307.1896
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.01249	6.0
53.26782	6.5
53.38461	6.8
56.40119	6.4
57.93516	6.5
67.05457	7.2
69.07062	15.3
71.04961	9.2
81.07040	38.3
85.02931	10.0
92.86259	7.6
93.07030	41.4
95.04912	15.6
95.08582	18.0
97.06509	9.2
99.04416	7.7
105.07014	18.4
107.08554	30.9
109.06485	12.6
109.10114	12.3
119.08543	16.5
121.06530	11.1
121.10117	11.3
129.61270	7.6
131.08531	17.1
133.06465	11.0
133.10133	16.9
143.08475	27.8
145.10124	36.9
147.08009	8.2
147.11655	8.5
155.08522	10.9
155.10670	10.3
157.10086	18.5
159.08022	12.9
159.11627	9.1
162.21585	7.2
169.09988	9.5
173.09579	14.5
173.13246	10.2
183.11697	8.1
187.11278	17.4
187.14801	12.5
189.09081	11.1
193.12206	8.7
197.13223	15.2
201.09065	13.0
211.14749	8.5
215.10643	11.3
215.14326	43.5
229.15721	13.6
257.15259	57.8
271.16962	9.2
289.17993	100.0
289.20853	10.7
307.09387	12.6
307.18903	60.2
307.22269	16.6
307.26358	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	307.1898
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01845	0.5
55.05495	2.7
57.03418	0.8
57.07053	0.8
62.25837	0.6
65.58682	0.5
67.05482	1.2
69.03387	0.6
69.07051	3.0
69.82909	0.5
71.04963	1.2
71.09014	0.5
76.06537	0.5
79.05472	0.8
81.07037	5.4
83.04956	4.0
83.08591	0.6
85.02892	1.0
85.06517	1.4
85.65618	0.5
85.70635	0.5
91.05450	1.2
93.07018	5.1
95.04954	1.3
95.08591	5.2
97.06500	0.9
99.04451	1.0
99.08096	0.7
103.03966	0.6
105.07026	6.0
107.08598	6.2
109.06483	2.3
109.10105	3.3
111.08064	0.6
117.06955	0.8
119.08538	5.7
121.06481	2.7
121.10102	8.6
123.08022	3.2
123.11662	0.8
125.05872	0.7
125.09586	0.9
127.03870	0.8
131.08554	5.5
133.10089	6.2
134.84161	0.6
135.08041	5.1
135.11668	0.8
137.09570	1.1
137.13188	0.7
143.08516	4.1
145.10081	8.1
147.08017	6.6
147.11661	4.5
149.09570	3.7
149.13222	3.5
151.07449	1.0
155.08463	1.0
157.10083	5.0
159.08029	2.2
159.11652	12.9
161.09544	2.4
161.13243	2.5
165.12614	0.9
169.10065	3.2
171.11647	3.5
173.09653	4.3
173.13217	9.8
173.14574	0.9
175.11150	0.8
175.14751	0.8
177.09027	1.1
177.12723	1.0
183.11661	3.4
185.13242	3.9
187.11134	2.6
187.14781	5.6
187.16243	0.6
189.12737	1.0
191.14331	0.8
197.13173	2.7
199.14787	1.2
201.12665	3.4
201.16336	3.4
203.14316	1.3
205.12190	2.6
211.14767	3.4
215.14249	7.1
215.17860	1.1
217.12198	1.0
219.13768	2.7
225.16328	3.7
229.15804	3.8
231.13654	0.9
233.15302	16.5
235.17195	0.6
238.13533	0.6
241.15858	0.8
243.17389	8.4
247.16948	1.0
253.15770	3.1
261.18439	4.7
271.16852	7.4
289.14755	1.1
289.17899	15.4
289.21210	1.0
292.07242	1.3
307.09503	3.0
307.18961	100.0
317.24237	0.7
317.73325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1898
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.78230	2.8
52.11201	3.2
53.32059	2.6
55.01863	6.6
55.05505	27.7
55.55754	3.1
57.03434	39.9
64.66798	3.3
67.05498	28.7
69.03399	4.3
69.07050	12.1
69.26640	2.8
79.05492	23.4
81.07053	26.0
83.04993	3.4
83.08606	18.0
85.06570	3.0
91.05460	7.6
93.07017	16.9
95.04987	3.9
95.08590	14.8
97.06490	4.3
97.10148	28.4
105.07030	6.8
107.04947	20.0
107.08594	27.7
109.06521	6.7
109.10130	13.4
111.08073	4.8
117.07008	4.5
117.50161	3.5
119.08536	13.2
121.06479	4.8
121.10095	4.9
123.08046	3.7
123.11677	4.3
125.09612	22.3
131.08566	5.7
135.08044	30.0
137.09625	4.4
145.10104	7.8
147.08081	4.2
147.11674	6.8
153.09081	5.8
157.10080	4.1
159.08018	43.2
159.11658	5.3
161.09677	3.7
163.07498	7.6
177.09055	6.8
187.14781	4.1
215.14313	6.7
233.15385	14.5
243.17345	3.7
261.18353	6.6
271.16968	25.0
271.19537	4.9
281.90637	3.4
289.17914	100.0
289.20789	9.4
307.18973	24.3
309.69879	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	307.226
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
55.01862	1.1
55.05495	8.3
57.03434	1.8
57.07046	1.2
58.49976	1.1
60.10058	1.3
63.57494	1.5
66.78300	1.2
67.05483	9.2
69.07051	10.6
71.04984	1.7
71.08602	7.6
79.05469	9.2
81.07045	18.5
83.08585	7.6
85.06503	2.4
91.05464	5.1
93.07022	12.6
95.04921	8.6
95.08597	14.8
97.06524	3.1
97.10145	3.1
98.86369	1.3
99.08050	5.1
105.07016	10.7
107.08562	11.7
107.92467	1.9
109.06494	34.4
109.10152	2.9
111.08050	1.3
112.99973	2.3
117.07014	1.5
119.08542	7.6
121.06454	6.1
121.10115	7.3
123.08021	3.4
123.11587	1.7
126.64459	1.3
131.08574	3.0
133.10066	3.4
135.07971	2.8
135.11693	2.7
139.60938	1.3
145.10078	5.8
146.76938	1.3
147.11664	5.4
149.09488	5.0
149.13242	1.4
159.11647	2.4
161.13203	5.3
163.11073	5.0
165.12706	100.0
169.02571	3.4
173.13239	3.0
175.14833	1.9
177.12694	7.5
185.13223	1.6
191.14241	2.8
219.17374	3.2
242.77802	1.4
251.16330	5.8
261.22058	6.4
275.19949	7.4
289.21524	26.7
307.22614	91.0
307.27875	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	307.2264
Annotation	Androst-5-ene-3beta,17beta,19-triol
Peak:m/z	Relative Intensity
55.05515	2.7
56.55360	2.1
57.03447	2.6
58.06870	2.0
67.05522	2.4
69.03413	2.5
69.07057	8.7
71.05022	2.5
76.06932	2.7
79.72725	2.1
81.07043	13.3
83.04976	4.1
85.06539	3.9
87.41590	2.2
91.05421	3.4
92.16860	4.2
93.07031	12.8
95.04935	2.5
95.08579	21.3
97.06511	14.3
97.10151	3.5
99.04465	3.5
105.06989	20.9
107.04919	2.9
107.08580	35.1
109.06496	4.1
109.10151	11.7
111.08089	3.2
119.08582	19.9
121.06519	4.0
121.10111	22.9
123.08057	43.7
123.11681	30.3
125.09731	2.9
131.08591	3.3
133.10110	39.3
135.08052	58.0
135.11697	11.8
137.09590	3.5
145.10161	7.9
147.08035	4.6
147.11693	12.1
149.09625	13.0
149.13290	11.9
151.11121	3.1
159.11697	11.0
161.09598	4.0
161.13255	4.5
163.11186	3.9
171.11713	5.5
173.13272	10.3
175.11211	5.0
175.14781	49.4
177.12735	15.8
179.51247	2.4
183.11656	4.3
185.13200	2.8
187.11267	2.9
187.14944	2.8
189.12692	4.6
197.13293	4.1
199.14880	3.7
201.12711	3.9
211.14824	4.3
217.15816	2.7
242.25533	2.6
243.21135	11.9
253.19426	21.4
271.20486	100.0
289.18338	5.8
289.21591	87.9
289.24615	3.4
307.18890	10.5
307.22562	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.03420	1.9
57.07062	1.1
59.59505	0.9
59.69353	1.0
67.05496	2.7
69.03429	1.3
69.07044	7.7
71.04985	1.5
79.05468	4.4
81.07050	8.5
83.04949	1.8
83.08598	4.3
85.06532	1.2
91.05463	6.9
93.07026	8.3
95.04948	1.7
95.08595	14.7
97.06503	1.6
97.10145	2.6
99.02869	1.1
99.04454	2.1
99.08077	1.7
103.03920	1.8
105.07021	5.7
107.08569	9.5
109.06514	7.6
109.10139	7.9
111.04451	1.1
111.08063	1.8
117.06963	1.3
119.04940	6.8
119.08546	12.3
121.06458	14.5
121.10135	11.5
123.08042	5.3
123.11684	6.6
125.09590	1.7
126.22977	1.0
127.07516	1.6
131.04921	10.8
131.08548	4.1
131.87170	1.1
133.06485	1.8
133.10089	9.9
135.08052	12.3
135.11694	4.8
137.09627	2.1
137.13225	2.5
143.08563	1.4
144.08075	11.1
145.10139	5.1
147.04388	100.0
147.08009	6.4
147.11670	5.7
149.09592	2.6
149.13196	1.8
151.07532	3.9
153.12691	1.3
157.10098	2.3
159.08009	1.5
159.09155	2.3
159.11642	7.5
161.09526	2.0
161.13199	4.5
163.07558	1.3
163.11165	1.9
165.09071	13.6
167.10648	2.0
171.11639	2.0
173.13231	7.0
175.11107	2.0
175.14815	1.7
177.09015	1.8
179.10690	1.7
183.11664	2.5
187.11235	1.3
187.14703	3.7
191.10548	2.4
197.13278	2.6
199.14835	4.1
201.12692	1.3
201.16347	1.8
203.14325	1.4
211.14806	1.6
215.14275	1.2
218.36836	1.2
218.67130	1.2
225.16330	2.3
243.17360	4.3
246.99635	1.2
261.18448	8.2
271.16779	1.2
271.20541	5.6
288.08838	1.3
289.17926	20.1
289.21436	6.3
297.23480	1.3
307.14627	7.6
307.18961	31.6
307.22638	58.7
307.26208	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	308.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22105	0.9
50.56026	0.9
55.05504	2.7
57.03426	1.8
58.55721	1.0
60.04523	1.1
61.02922	1.7
69.03423	5.8
70.06589	9.3
71.01369	1.2
71.04995	1.1
73.02906	1.2
76.02227	10.1
82.06577	14.2
84.04484	4.9
84.08116	6.5
85.02902	16.3
85.91408	1.0
97.02851	4.2
100.07607	44.4
110.06034	16.1
112.10986	1.1
116.01635	1.3
116.98608	2.0
119.01910	1.4
127.03896	2.3
128.07053	38.5
129.04144	1.1
129.05484	1.8
130.08595	4.4
145.04953	1.3
146.08096	100.0
149.61739	1.2
162.02223	1.9
166.24631	1.2
179.04866	2.2
224.97873	2.0
233.05925	1.5
262.16364	2.0
265.93942	1.4
266.98950	1.9
308.13245	7.5
308.16693	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	308.1516
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
55.05500	0.1
57.07071	1.3
59.04995	0.9
70.04061	100.0
71.08617	0.1
76.02221	0.1
82.57625	0.1
83.08599	0.9
84.74516	0.1
96.23133	0.1
108.64761	0.1
109.10150	0.2
115.05450	0.1
125.01511	4.8
129.07278	0.2
132.28979	0.1
139.03064	0.7
150.96098	0.1
151.03059	2.9
165.04677	1.0
175.22449	0.1
179.06200	0.2
180.55228	0.1
267.17679	0.4
308.15155	37.2
319.21628	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	308.1521
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
51.39677	0.9
51.88517	1.0
57.07071	9.6
59.04997	10.6
59.30241	1.0
60.66145	1.0
61.79255	1.0
61.93023	1.0
66.70583	1.2
67.05478	1.5
68.66986	1.1
69.07047	2.3
70.04071	100.0
71.08620	2.1
73.04737	1.7
76.02201	2.1
81.07044	1.6
83.08628	4.8
84.87604	1.3
91.05801	1.6
104.99225	1.3
115.05388	1.3
122.23899	1.4
125.01530	32.0
129.07291	5.5
133.10458	1.6
139.03094	5.1
151.03104	20.3
165.04634	3.1
171.11925	1.6
182.97960	1.3
218.88545	1.3
230.24297	1.2
257.45541	1.5
272.20853	4.6
290.21936	5.8
308.15250	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55964	0.6
56.05034	2.0
57.03421	1.0
60.65616	0.7
63.63243	0.6
67.05489	2.0
67.23431	0.7
70.06567	4.7
74.06069	100.0
76.02216	14.4
76.03978	1.2
79.05486	1.1
81.07027	3.8
84.04501	7.6
84.08141	0.7
85.02885	4.1
86.03184	0.8
86.06037	1.0
88.07592	3.1
93.07010	1.8
95.08590	1.7
96.08117	0.8
99.04432	0.9
103.03936	2.0
104.04235	1.4
104.07086	0.9
107.08614	1.5
109.02872	1.2
114.47136	0.8
116.01627	4.5
116.77465	0.8
118.06525	0.9
120.08095	1.1
121.10118	1.0
127.03908	2.0
128.04251	1.7
130.05005	1.2
130.37566	0.8
131.08578	1.0
142.03157	1.4
144.01146	3.2
145.04881	0.8
146.06032	4.2
147.06351	1.2
149.13179	1.5
162.02188	5.2
170.02711	0.9
179.04854	5.1
204.90646	0.9
205.07916	3.2
218.66524	0.9
224.20033	1.4
236.19908	1.6
245.05991	0.8
254.21114	4.8
262.10022	1.2
264.39282	1.1
272.22278	5.0
290.23157	7.1
308.10767	16.3
308.24274	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	308.258
Annotation	Fingolimod
Peak:m/z	Relative Intensity
53.87969	0.7
55.01873	0.8
55.05502	5.6
57.07058	3.7
67.05499	7.8
68.14168	0.7
69.03376	0.7
69.07054	12.1
70.04077	1.0
71.04979	1.2
71.08226	1.4
71.08623	34.1
76.02176	0.8
79.05472	5.3
81.07053	16.5
83.08600	5.7
85.06506	1.2
86.66351	0.8
91.05456	1.6
93.07025	14.3
95.04963	3.1
95.08594	19.0
97.06485	4.2
97.10130	4.4
99.08083	18.5
100.26987	0.8
105.07043	7.5
107.08570	13.1
109.06506	18.7
109.10147	10.2
111.08049	3.3
111.59692	0.9
119.08545	7.8
121.10158	9.3
123.08020	3.6
123.11657	4.1
128.10670	0.9
129.07324	1.1
131.08549	1.4
133.10132	5.4
135.11678	4.7
137.09576	3.3
143.08540	1.0
145.10147	1.0
147.11632	5.1
149.13245	5.3
150.48409	0.9
151.11205	1.9
151.14719	1.1
153.12732	1.1
159.17085	1.0
161.13200	1.7
163.14865	1.1
165.12717	45.2
167.09326	0.9
167.14319	1.1
173.13194	1.0
175.14807	8.8
177.02840	0.9
177.12732	1.4
179.14252	4.5
189.16379	1.2
193.15903	6.2
199.14873	1.4
210.18544	1.3
235.16904	10.9
255.20938	0.8
273.22067	1.4
291.23135	93.5
308.25803	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	308.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.2
57.07061	1.1
59.65140	0.6
61.80163	0.5
67.05495	7.3
69.07059	19.6
70.04060	1.1
71.08609	0.7
72.04507	100.0
78.24936	0.7
79.05473	1.5
81.07050	10.7
83.08610	10.0
88.07630	1.0
93.07013	1.6
95.08591	11.7
97.06496	1.0
97.10162	4.9
98.11414	0.7
100.07587	3.2
105.07001	0.6
107.08572	1.1
109.10136	7.3
114.09142	14.5
119.08556	0.9
121.10198	0.7
123.11679	3.3
128.10690	10.0
138.51952	0.7
140.13454	0.7
142.12236	6.8
147.11633	0.8
156.13823	3.9
162.10835	0.7
168.13770	1.1
170.15392	3.1
184.16986	2.6
198.18509	1.2
212.19885	1.3
226.21544	1.0
249.32022	0.7
308.29422	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	309.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73983	1.2
56.48323	1.4
64.33629	1.5
84.08120	10.7
112.89601	55.8
114.89332	2.0
128.07080	7.3
130.08638	3.3
136.94016	3.7
138.38354	1.5
157.64619	1.4
174.32364	1.6
176.56870	1.5
225.12332	2.0
283.31989	1.6
291.15366	2.0
309.05792	100.0
309.16373	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
56.61980	0.2
57.03416	0.6
61.02898	0.2
61.16654	0.1
64.41542	0.2
65.03916	0.3
66.61742	0.1
68.65816	0.1
69.03419	2.7
71.04977	0.6
73.02890	0.2
76.02225	0.3
81.03413	5.2
85.02893	4.7
89.07199	0.1
91.05458	2.4
97.02891	1.3
99.04419	0.7
109.02861	1.6
118.65865	0.2
119.04917	10.4
119.54040	0.1
121.83754	0.1
124.03968	0.2
127.03893	0.8
145.02873	0.2
147.04385	100.0
165.05453	2.8
177.05437	1.0
220.31232	0.2
242.20273	0.2
291.08536	4.6
308.83945	0.2
309.09598	3.6
320.41724	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	309.1691
Annotation	(5R)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
54.98431	3.9
55.01865	5.7
55.05482	8.0
57.03426	4.3
64.45632	3.5
67.05487	17.0
68.07194	3.4
69.07032	8.8
71.04961	3.7
72.19665	3.7
79.05475	19.9
80.47800	3.7
81.07043	42.3
83.04958	5.6
83.08586	6.2
85.06512	3.5
85.48032	3.5
91.05452	13.8
93.06997	32.5
95.04945	7.8
95.08588	23.6
97.06499	5.3
99.04440	19.9
105.07013	16.2
107.04975	12.3
107.08590	27.8
109.06495	22.0
109.10126	25.4
110.62718	4.4
111.08067	7.7
119.04830	4.0
119.08542	22.0
121.06486	7.4
121.10118	21.4
123.08024	17.6
125.09592	7.2
127.07527	3.4
131.08525	5.7
133.10118	18.6
133.96040	3.5
135.08028	51.6
135.11635	5.4
137.05917	4.5
137.09578	8.6
143.08525	6.6
145.10109	26.5
147.04362	45.0
147.08005	6.4
147.11638	5.2
149.09615	7.3
149.13152	4.2
157.10092	28.9
159.11662	17.4
161.09563	7.7
161.13255	6.4
163.07495	54.5
169.10085	4.5
171.11693	15.7
173.13100	5.4
175.11122	5.2
177.05447	8.2
179.08661	5.0
179.10507	5.0
181.08543	47.1
185.13199	100.0
187.14774	23.2
191.10657	4.8
193.12183	18.3
199.14801	15.5
201.12756	5.2
203.14256	19.8
217.15982	5.5
221.09589	5.4
227.14255	32.4
229.15527	4.0
231.08131	4.8
231.13731	23.6
234.06718	5.6
245.15337	33.2
249.09006	13.3
255.13884	8.5
263.16345	30.9
273.14856	26.3
273.18396	18.5
277.08539	33.8
281.11652	14.2
291.10208	7.7
291.15839	69.9
291.19476	41.8
291.22482	5.3
294.08752	25.2
309.11203	62.9
309.16791	45.2
309.20422	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	309.2053
Annotation	Albocycline
Peak:m/z	Relative Intensity
52.99546	3.3
55.01852	3.8
55.05491	7.4
57.03418	23.7
59.04984	4.2
62.30381	3.1
67.05489	26.9
69.07043	4.3
79.05475	21.2
81.07034	38.9
85.06520	25.3
91.05470	6.8
93.07023	14.0
95.04942	41.0
95.08590	18.7
104.10750	5.6
105.06998	6.3
107.04938	6.9
107.08580	23.0
109.06499	40.4
113.05981	100.0
117.07026	8.0
119.04927	5.6
119.08555	15.6
121.06503	4.5
121.10172	5.0
131.08553	8.0
133.06592	4.2
135.08037	33.7
135.11685	7.7
143.08527	6.5
145.10104	7.5
147.08014	4.5
161.09583	5.8
176.16112	3.7
217.15884	3.9
221.01811	5.8
233.79965	3.8
262.03217	4.0
262.99362	3.2
262.99966	4.1
263.02789	52.7
273.18472	22.4
286.04520	5.0
291.19443	78.4
309.20483	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	309.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86766	1.0
55.01860	2.1
55.05500	3.0
57.07056	1.5
67.05483	8.6
69.07049	4.9
70.04053	2.2
71.08610	2.6
72.58195	1.0
79.05461	2.7
81.07050	14.2
83.04977	1.8
93.07012	6.2
95.04919	1.4
95.08592	7.3
97.10181	1.4
105.06986	1.9
107.08566	6.1
109.06503	2.4
109.10108	2.9
111.04408	15.0
119.08508	2.3
121.10094	4.9
123.08024	1.9
123.11626	1.7
125.05975	2.8
127.90110	1.5
132.81796	1.3
133.10129	5.6
135.08026	1.6
135.11684	5.8
137.05948	100.0
139.07503	1.6
147.11679	2.3
149.09628	2.9
151.07483	1.5
161.09567	6.0
163.11165	1.8
165.02933	1.3
165.09082	6.8
171.67044	1.5
175.11162	3.1
193.12181	12.5
199.29723	1.1
203.17961	3.0
213.16347	1.7
231.17361	5.4
249.18416	5.0
277.17923	44.7
291.19455	8.0
295.18918	12.5
309.20514	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	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	1.7
53.91504	1.1
55.01867	2.8
55.05508	6.1
55.63722	1.2
57.03424	7.9
67.05499	20.3
69.03413	1.7
69.07052	8.1
71.04963	6.7
79.05476	20.9
81.03414	16.6
81.07046	100.0
83.04977	6.2
83.08630	5.8
85.06532	5.8
91.05452	12.6
93.07034	25.3
95.04935	10.5
95.08592	13.6
97.06521	6.2
97.10159	7.0
99.04413	2.1
99.08089	2.5
105.07052	10.7
107.04930	6.4
107.08589	18.9
109.06503	64.9
109.10158	2.0
111.08103	1.7
113.05965	2.9
114.27485	1.4
117.07013	6.4
119.08544	10.7
121.06488	2.8
121.10100	12.5
123.08036	19.5
123.11699	2.1
125.09618	9.0
125.75847	1.5
129.06953	2.1
131.08549	7.0
133.10124	8.7
135.08005	14.3
135.11673	5.4
137.09590	2.9
141.06943	1.9
143.08546	3.1
145.10130	5.9
147.04456	2.3
147.08028	2.0
147.11690	5.7
149.09598	5.7
153.09062	2.3
157.10110	3.0
159.11632	6.0
161.09593	1.8
163.11130	2.5
165.09094	1.6
169.10027	1.5
171.11722	1.6
177.12683	3.1
178.94066	1.5
187.11151	1.9
193.12138	1.9
205.12387	1.9
217.15897	2.7
223.13332	2.0
233.15154	2.3
267.70139	1.5
273.18436	14.5
277.08627	3.5
281.11908	1.6
291.19519	63.6
309.20486	40.0
309.23672	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.242
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	2.9
55.05508	33.2
57.03432	3.9
57.07053	6.2
62.50490	2.9
62.87228	3.5
62.89574	3.0
64.20529	2.8
64.91599	3.0
67.05501	68.3
68.58503	3.6
69.03407	4.9
69.07070	29.9
70.80574	3.2
71.08616	62.2
79.05492	36.4
81.03403	14.9
81.07058	59.5
83.04979	6.2
83.08608	19.2
85.06523	4.0
91.05473	17.2
93.07033	51.2
95.04964	12.4
95.08579	28.8
97.06519	5.5
97.10161	48.5
99.08079	32.5
99.33592	3.4
105.07021	15.2
105.65013	3.9
107.08561	49.1
109.06544	4.6
109.10146	36.3
111.08064	5.0
119.08563	22.8
121.10097	20.9
123.08032	5.6
125.09611	31.8
125.30788	3.8
133.10129	16.0
135.08066	7.3
135.11691	25.4
137.09592	3.5
138.22939	3.5
145.10112	6.3
147.11684	12.7
149.13268	7.3
151.11125	32.6
151.55365	3.0
159.11592	5.3
161.13219	8.1
163.11160	14.5
165.09154	6.5
171.10152	4.7
171.11722	5.2
175.21585	3.2
178.00696	3.3
179.14261	5.6
181.12230	3.4
189.12628	4.0
191.39246	3.8
203.12750	27.8
224.80217	3.4
241.19548	5.7
259.20551	16.5
277.21558	100.0
291.19739	4.2
291.23090	14.5
309.24176	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2416
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05503	22.4
57.03419	11.4
67.05490	54.1
69.07047	19.7
71.08613	87.5
78.23835	2.6
79.05467	41.1
81.03395	6.3
81.07043	64.9
83.04962	17.5
83.08592	22.6
91.05455	16.6
93.07018	64.9
95.04927	5.5
95.08585	47.8
97.06490	6.5
97.10158	25.6
99.08062	57.3
105.01678	2.6
105.07014	15.3
107.04924	3.3
107.08566	50.0
109.06510	2.8
109.10120	43.8
117.06988	4.6
119.08553	18.5
119.55589	2.8
121.10109	35.1
123.08031	3.7
123.11672	4.2
125.09600	17.0
127.11143	5.0
129.07024	2.9
131.08525	4.9
133.10086	15.0
135.11644	30.8
137.09605	5.2
143.08504	5.0
145.10072	4.7
147.11649	16.4
149.13216	13.4
151.11131	34.9
153.12727	4.7
159.11691	9.4
161.13235	17.5
163.11139	13.8
163.14772	4.4
171.11664	3.6
175.14804	5.0
179.14259	35.3
185.13205	4.1
189.12793	3.4
203.12746	13.5
241.19467	6.6
259.20575	14.6
277.21561	100.0
280.45276	3.0
291.20273	2.6
291.23193	22.0
309.24368	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2417
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
55.05510	7.2
57.07070	6.3
61.63076	2.4
67.05486	6.0
69.07047	19.0
71.08607	19.8
79.05484	11.1
81.07037	19.3
83.08598	15.5
93.07023	17.4
95.04986	4.2
95.08603	22.0
97.06508	4.7
97.10127	3.1
99.08086	11.6
105.07002	5.0
107.08577	7.1
109.06517	4.2
109.10124	5.2
111.11678	3.8
119.08625	10.0
121.10105	4.1
123.11726	3.2
153.12721	2.9
165.12709	7.4
183.57544	3.5
211.40054	3.3
291.23041	5.3
309.24194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2781
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
52.12815	6.7
55.05518	24.4
55.53794	6.5
57.07065	59.9
67.05490	14.0
69.07066	57.2
70.28067	7.1
71.08608	40.9
78.75732	9.3
79.91711	7.2
81.07037	62.5
83.08586	40.7
95.08595	81.9
97.10149	10.0
107.08556	8.3
109.06466	14.7
109.10117	82.0
117.40299	6.8
122.28889	7.7
123.08043	11.2
123.11668	52.9
137.13266	15.7
270.08011	7.7
276.59790	8.6
309.15634	13.0
309.27850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55059	0.1
73.73586	0.2
74.40774	0.2
80.94957	1.8
81.48611	0.2
81.95042	0.2
82.94830	5.9
83.99243	0.1
100.95852	0.7
101.00856	0.2
105.31796	0.2
119.01879	1.9
120.02073	0.2
121.01614	0.6
133.66232	0.2
134.72273	0.2
137.02957	0.3
137.19669	0.1
152.32072	0.2
166.08746	0.2
178.09673	0.3
179.00681	0.4
180.00772	0.8
200.95869	0.2
218.96962	0.2
219.01991	0.2
220.03833	0.2
220.94865	0.4
221.01682	2.5
222.01842	5.2
227.00729	0.2
228.00667	1.8
242.96922	3.7
244.94818	2.3
245.01720	3.0
246.01837	9.4
251.11281	0.3
260.97974	7.1
261.96060	0.2
262.03091	0.8
262.95969	6.5
263.02798	26.9
264.02954	100.0
266.03363	0.2
268.94952	0.7
269.03433	1.1
286.04468	1.0
286.95901	15.3
287.04550	7.9
304.96979	19.0
309.97437	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	310.2372
Annotation	Melophlin M
Peak:m/z	Relative Intensity
54.38698	0.6
55.05508	11.3
56.05025	1.4
57.03420	0.6
57.07055	2.7
58.06593	1.1
67.05135	1.6
67.05496	44.2
68.05012	0.8
68.55935	0.7
69.07066	9.9
70.04034	0.7
70.06572	3.1
71.08596	1.2
72.08126	0.9
79.05485	9.6
80.04993	5.6
80.90089	0.7
81.06583	1.4
81.07045	38.9
82.06559	3.1
83.04971	1.4
83.08611	7.3
84.87973	0.7
85.06532	0.9
91.05474	1.5
93.07035	8.5
94.06545	3.3
95.08586	12.8
96.04465	0.7
96.08127	1.6
96.15277	0.6
97.10129	4.4
98.09681	2.5
105.07020	2.9
106.06528	1.0
107.08598	5.1
108.08105	3.7
109.10136	7.3
110.06013	0.7
110.09662	0.7
111.08070	0.9
112.11210	0.7
114.09139	0.7
117.07055	0.9
119.08562	3.6
120.08099	1.0
121.10108	3.6
122.09653	3.4
123.07993	0.7
123.10397	0.8
123.11661	2.9
124.11201	3.1
125.09620	1.1
128.10736	1.0
128.14412	0.8
131.08571	1.5
133.10168	1.1
135.11694	3.3
136.11192	0.8
140.14311	3.6
150.12805	4.7
152.14297	0.8
154.12250	0.9
162.12683	0.7
163.13512	1.0
164.14314	1.7
165.15080	2.4
166.15903	1.0
170.11842	0.7
172.19580	0.8
176.14320	4.0
178.15872	6.4
180.13708	1.2
192.17540	0.9
204.13782	1.3
207.81685	0.7
222.14868	2.7
236.16360	1.1
246.22069	2.8
248.23787	1.0
250.18013	1.4
264.23276	0.8
268.26059	0.9
274.21625	5.9
292.19724	1.7
292.22635	26.0
292.26013	1.4
292.29871	2.6
310.23721	100.0
310.27332	23.4
310.31021	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	310.2373
Annotation	Melophlin M
Peak:m/z	Relative Intensity
55.05508	8.6
56.05022	4.8
58.06596	7.6
58.50829	2.9
59.06146	3.2
66.40952	3.4
66.43063	3.6
67.05492	37.9
68.05821	3.6
69.07061	23.3
70.04049	3.7
70.07392	7.4
71.04983	3.4
79.05486	21.3
80.05003	4.0
81.03412	19.6
81.07040	38.8
82.03735	4.1
82.07408	3.6
83.04965	6.2
83.08617	8.4
84.08957	3.8
89.55760	3.0
91.05476	14.6
93.07011	33.4
94.06564	3.7
94.07394	5.0
95.04938	28.5
95.08601	21.6
96.05291	5.0
97.06529	5.7
97.10168	8.5
98.09704	5.0
105.07004	7.8
107.08590	32.5
108.08891	5.3
109.10127	14.9
119.08562	15.8
121.10136	17.4
123.11715	4.4
124.11241	3.9
125.09611	6.9
131.08562	5.6
133.10123	6.8
147.11658	6.1
151.11191	7.2
152.11493	7.7
162.13481	3.8
180.14348	3.5
203.12735	4.0
212.16528	3.7
264.67807	4.3
278.21945	64.5
292.22604	39.8
310.23825	100.0
310.27356	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.31
Annotation	Oleoyl Ethyl Amide
Peak:m/z	Relative Intensity
51.57667	0.5
55.05495	3.2
57.07065	4.6
67.05494	1.0
69.07060	7.4
71.08615	1.2
71.27196	0.5
72.04508	79.3
79.74613	0.6
81.07044	2.6
83.04936	0.6
83.08622	5.4
85.10160	1.2
95.08599	2.5
97.06489	1.1
97.10160	4.3
97.45827	0.6
100.07603	2.5
107.08560	1.0
111.11694	0.9
114.09161	12.5
121.10173	1.2
128.10696	10.0
135.11642	0.9
142.12257	6.3
156.13823	3.9
170.15344	2.4
184.16823	0.8
198.18460	1.0
212.19969	0.7
226.43657	0.6
254.24796	0.6
268.26270	0.8
282.90915	0.5
300.21863	0.6
310.30991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01874	2.2
55.05491	2.4
63.57039	1.8
67.05505	3.9
69.07058	4.0
74.98900	2.0
76.75205	2.1
78.37997	2.0
79.05465	3.4
81.07043	10.4
83.08603	8.4
86.40489	2.0
93.07035	4.2
95.04955	2.1
95.08595	8.9
95.63067	2.0
97.06528	2.5
97.10170	2.6
105.07004	9.7
107.04961	3.7
107.08580	9.0
109.10156	3.7
115.76661	2.0
122.06686	2.4
123.51624	2.1
129.07028	3.1
131.08562	4.6
133.06517	4.1
133.10060	3.2
137.05962	100.0
149.05975	3.3
155.04907	4.2
159.08040	12.0
159.11703	3.0
161.05978	8.5
169.28452	2.3
175.07536	4.4
187.07512	25.6
190.07849	3.8
191.08488	34.4
218.07326	4.5
219.08009	66.9
233.09660	2.4
236.08327	11.1
247.07515	24.9
251.10616	89.4
261.09158	4.1
264.07745	9.2
275.20020	8.8
279.10123	59.4
280.10928	2.6
281.08035	4.4
293.21103	9.5
296.10410	9.8
311.09094	4.3
311.12698	84.2
311.30481	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	311.1274
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
50.76702	0.5
52.48542	0.6
52.59332	0.5
76.17229	0.7
81.07056	1.5
91.05463	2.7
93.07019	0.7
100.21651	0.6
102.24224	0.6
105.07021	6.2
107.04924	3.2
107.08560	0.7
109.06489	4.7
114.07365	0.6
115.05456	0.8
121.10034	0.7
122.03612	3.4
129.06961	3.5
131.04884	1.3
131.08548	1.2
133.06441	6.1
137.05957	97.8
149.05927	5.9
151.07471	1.4
155.04895	6.4
156.05594	0.8
159.08028	8.5
161.05931	13.0
163.07458	1.1
163.29843	0.7
172.05177	1.5
175.07487	4.1
187.07503	30.6
189.06940	0.9
190.07741	4.0
191.08521	31.9
195.87033	0.7
205.10083	0.7
207.07921	0.9
208.08804	3.9
218.07187	7.5
219.08014	65.0
220.08806	5.2
223.11160	1.1
233.09538	1.2
235.07495	1.3
236.08260	11.7
246.06549	0.9
247.07492	25.9
248.08340	2.8
249.08977	1.1
251.10611	100.0
253.08473	1.5
261.09042	4.0
264.07767	11.5
265.08588	2.7
267.10162	1.0
268.10825	1.4
275.19943	0.8
278.09402	0.7
279.10110	63.3
280.11050	4.9
281.08002	11.6
293.07986	4.0
295.09555	1.2
296.10339	13.6
311.09610	2.9
311.12704	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
50.82228	0.6
50.86954	0.5
53.61572	0.5
55.12576	0.6
63.83765	0.6
77.68362	0.5
79.05475	0.7
81.07049	2.5
86.52068	0.6
91.05466	1.5
94.04157	1.0
95.04942	1.2
95.08595	0.9
97.06516	1.3
97.21014	0.7
103.05448	0.8
105.07050	5.1
107.04937	4.7
109.06522	6.3
117.06975	0.6
119.08538	0.9
121.06458	1.0
122.03646	1.2
129.06981	3.6
131.04878	0.6
131.08568	1.3
133.06462	8.2
135.07977	0.8
137.05969	100.0
144.05711	1.3
145.06494	1.1
147.04430	0.7
149.05977	5.5
151.07469	1.0
155.04877	6.5
159.08044	8.3
161.05986	11.9
163.03883	0.8
165.06949	0.7
167.06953	1.1
172.05121	1.1
175.07536	7.0
187.07521	27.5
190.07724	3.7
191.08540	31.8
201.07001	1.1
205.06520	0.7
205.10138	0.7
207.08139	0.8
208.08846	3.0
218.07367	4.4
219.08026	65.6
220.08719	6.3
221.09532	1.4
233.09607	1.3
235.07462	1.3
236.08257	13.1
237.09023	2.3
246.06686	1.0
247.07512	27.9
248.08289	3.2
250.09816	1.1
251.10631	96.8
253.08539	2.9
261.09036	4.0
263.54349	0.7
264.07800	11.0
265.08533	3.6
267.17444	1.2
268.10971	1.1
278.09427	0.9
279.10132	67.3
280.10986	5.0
281.08084	10.3
283.13281	1.0
295.09616	1.2
296.10419	12.9
311.12735	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01854	6.2
55.05502	11.5
62.44898	5.0
67.05500	48.6
69.03406	6.1
69.07055	10.0
71.04982	10.9
71.08614	49.3
79.05482	28.0
81.07037	35.1
83.04962	9.8
83.08611	7.6
84.32500	4.8
89.00304	4.2
91.05463	12.5
93.07023	34.2
95.08587	53.6
97.06563	6.9
97.10152	8.4
99.08067	33.3
102.06910	5.4
107.08573	11.4
109.06522	7.5
109.10136	40.1
111.08009	5.6
119.08579	26.1
121.10131	6.3
123.11681	6.3
125.09634	10.8
127.07598	7.2
131.08565	4.9
133.10123	10.8
135.11716	5.4
137.05968	7.5
137.09581	7.9
139.11134	35.2
144.46904	4.7
145.10158	5.5
149.13217	6.5
151.11159	29.2
155.10637	10.7
159.11661	7.2
173.18132	5.2
177.12682	9.1
251.10634	7.1
257.18884	9.2
275.20010	30.1
293.21021	100.0
311.12775	10.3
311.22101	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01869	4.9
55.05513	27.0
57.03443	31.0
67.05499	49.3
68.48674	3.3
69.07069	42.5
71.04991	27.0
79.05489	31.2
81.03410	5.0
81.07053	76.9
83.04978	6.4
83.08620	22.8
85.06528	5.3
91.05477	25.7
93.07037	61.1
95.04935	12.4
95.08604	61.4
95.35414	3.4
97.06519	17.7
97.10139	30.7
99.04423	4.6
99.08086	8.0
105.06356	2.7
105.07021	28.3
106.75986	3.4
107.04989	5.5
107.08592	45.5
109.06490	8.1
109.10171	30.2
111.08081	23.0
111.11718	3.3
115.07587	3.9
117.07030	7.8
118.23143	3.6
118.44228	3.1
119.08557	30.4
121.06454	4.1
121.10120	52.6
123.08044	4.4
125.09630	19.7
131.08554	24.5
133.10112	24.3
135.08145	6.4
135.11710	7.1
137.09601	6.1
139.11186	29.2
143.08662	5.5
145.10162	17.7
147.11723	16.8
149.09625	8.6
149.13274	4.0
150.44736	3.8
159.11676	17.5
163.11140	5.7
167.10632	4.2
171.11734	7.0
173.13239	8.2
203.12779	23.2
203.14432	6.3
219.17572	5.2
235.17088	4.1
257.19067	4.6
268.01642	3.2
269.30225	3.3
275.20038	100.0
293.21069	67.4
311.22134	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.39171	0.4
54.29002	0.4
55.01868	0.9
55.05519	5.1
57.03427	0.6
57.07064	2.3
62.70297	0.5
67.05503	4.7
69.03436	1.0
69.07072	4.2
71.08289	0.5
71.08636	11.6
75.80922	0.4
79.05487	3.0
81.07063	5.0
83.04982	0.5
83.08628	4.8
91.05459	2.1
92.86966	0.4
93.07046	2.7
95.04954	0.9
95.08611	3.8
97.06509	0.8
97.10166	10.2
97.35288	0.5
99.08077	5.1
100.51580	0.5
105.07057	0.7
107.08572	3.1
109.06489	0.9
109.10160	1.1
111.08013	0.8
119.08564	0.8
121.06503	0.9
121.10085	1.1
123.08029	1.0
125.09628	5.9
127.70608	0.6
131.08540	0.6
133.10118	0.7
135.08072	0.8
165.12727	0.9
166.25641	0.5
167.10661	0.6
177.12891	0.6
189.11073	0.9
211.13196	0.7
214.93985	0.7
244.95067	2.7
247.20425	0.8
257.18866	0.6
270.10748	1.1
275.20023	5.4
283.93167	0.6
293.21085	100.0
300.97787	0.9
311.22427	1.1
311.25803	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	311.2212
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.00256	0.5
55.05457	13.4
57.03379	9.0
57.03687	1.0
57.07019	6.8
59.66414	0.4
61.96876	0.4
67.05498	13.8
67.05836	1.1
68.06276	0.4
69.07058	21.6
69.07406	1.0
71.04934	0.9
71.08624	13.7
71.32707	0.4
75.59982	0.4
79.05478	6.7
81.07048	17.3
83.04949	0.6
83.08611	17.7
85.06505	1.1
85.10119	1.0
91.05419	1.2
93.07032	9.5
95.04905	0.9
95.08591	15.0
97.06460	2.6
97.10158	13.1
99.08100	5.4
102.52171	0.5
105.06994	3.4
105.58437	0.5
107.04903	0.7
107.08583	8.4
109.10123	5.5
111.08020	1.2
111.11652	1.0
117.07002	0.8
119.08518	0.9
121.06450	0.5
121.09309	0.5
121.10115	8.6
123.11636	2.5
125.09614	5.7
131.08493	1.0
133.10051	2.4
135.11676	4.8
137.13191	0.7
141.09030	0.5
145.10078	1.9
149.13168	2.5
151.11078	1.0
153.12657	0.7
159.11627	1.1
165.12677	3.3
177.12651	0.9
189.11124	0.6
194.23845	0.6
219.21001	0.6
230.13522	0.6
237.22177	0.7
237.95718	0.6
245.95947	0.5
270.19464	0.8
275.20059	6.3
293.21048	100.0
298.28247	0.5
307.73795	0.5
311.25745	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	311.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20451	8.3
55.05502	23.5
61.93777	8.5
67.05476	57.3
69.07037	48.7
71.08613	100.0
73.02894	18.6
79.05502	14.7
81.07038	66.7
83.08583	17.4
91.05473	12.1
93.07039	23.9
95.08562	59.5
97.10120	44.5
99.08060	59.5
102.60455	11.1
107.08561	43.5
109.10112	52.0
119.71286	11.7
121.10144	17.9
125.09608	20.9
138.43742	12.8
147.11633	25.0
158.25473	11.3
158.48555	11.2
251.23640	10.6
261.21985	17.2
262.39859	13.4
279.23099	75.8
293.21017	24.1
311.25497	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	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01859	6.9
55.05506	36.2
57.03424	7.6
57.07079	10.6
63.31391	1.2
67.05137	1.7
67.05499	75.9
69.03408	7.9
69.07057	60.2
71.04975	5.6
71.08613	13.5
79.05483	26.9
81.07046	89.0
83.04988	2.3
83.08607	41.0
85.06525	6.7
87.15637	1.9
91.05460	9.8
92.17164	1.8
93.07022	37.4
95.08591	71.7
97.06503	14.0
97.10152	72.4
97.10789	2.3
99.08070	7.7
101.38647	1.4
105.07003	3.5
107.08581	54.5
109.10142	61.6
111.08047	9.8
112.88120	1.6
113.09666	2.0
113.20811	1.9
117.06992	6.1
119.08562	7.2
121.10094	18.6
123.07980	2.0
123.11683	16.3
125.09602	56.8
131.08557	7.8
132.56180	1.8
133.10124	7.2
135.08047	13.8
135.11670	34.2
137.09589	1.7
137.13228	11.4
145.10078	3.5
147.11655	12.2
149.13283	10.7
150.71811	1.7
151.14752	3.0
153.09074	8.1
153.12721	18.2
158.73509	1.6
159.11681	3.5
161.13237	3.0
163.11186	2.2
163.14816	3.1
165.12701	1.8
173.11790	2.0
173.13217	6.9
175.14687	1.9
177.16362	2.2
186.96722	1.6
187.14832	2.3
203.12733	19.0
209.15302	1.9
243.21069	6.1
261.22083	26.0
270.27777	3.5
279.23117	100.0
293.24771	8.4
311.25735	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	311.2574
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.05500	23.9
57.03418	23.6
57.07066	17.5
62.30743	1.7
66.42545	1.7
67.05491	29.8
69.03400	1.8
69.07049	55.5
69.07395	2.7
71.08609	13.8
71.83214	1.8
75.11119	1.7
77.73913	1.9
79.05483	7.8
81.07040	39.3
81.47363	2.2
83.08610	37.2
85.10130	2.3
93.07029	16.7
95.08583	39.0
97.06535	3.8
97.10133	24.6
105.07006	2.5
107.08617	12.7
109.10117	14.2
111.08094	4.3
111.11718	2.7
117.52795	1.8
121.10118	19.0
123.11719	9.1
125.09566	3.0
135.11711	9.5
135.40067	2.2
137.13222	3.4
149.13272	9.4
311.25888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.294
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
51.37328	4.3
51.82877	5.0
55.05502	34.3
57.07072	100.0
57.45814	6.2
59.04980	5.8
67.05491	26.8
69.07053	82.4
71.08617	73.4
79.05466	8.3
81.07046	49.4
83.08607	84.3
84.37825	5.3
85.10165	32.4
93.07028	25.0
95.08581	65.7
97.06506	30.6
97.10141	61.8
107.08555	31.8
107.36466	5.5
109.10148	26.2
111.08022	22.7
111.11670	13.2
121.10133	49.4
123.11735	12.4
125.13206	5.8
131.70331	6.1
135.11678	44.3
137.13277	5.8
139.11143	7.4
149.13254	31.5
153.12706	6.0
163.14789	13.1
195.17361	10.1
232.79257	6.6
259.49844	5.5
275.27328	37.1
279.96732	6.9
293.28448	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	312.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34938	0.6
53.23186	0.6
54.07793	0.5
58.99595	0.6
70.06577	1.0
75.79180	0.6
84.08085	0.6
88.03957	0.8
108.76658	0.8
131.04903	0.9
137.05893	1.2
157.96669	0.6
162.01241	1.2
163.02116	1.0
167.06969	6.8
190.00766	5.0
191.01518	1.3
191.07037	1.6
192.06395	1.3
192.07921	1.4
193.08475	0.9
207.08818	7.4
208.01874	5.2
223.04156	100.0
242.52357	0.8
273.23773	0.6
312.08844	13.1
312.12354	0.8
312.14078	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	312.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09717	2.1
55.05506	38.7
56.05034	5.0
57.07062	14.0
58.06245	2.1
63.48250	1.9
67.05487	26.8
69.07052	30.0
70.06565	2.6
71.08618	8.8
79.05479	13.9
81.07040	27.3
82.06573	2.7
83.08597	21.9
85.06548	2.1
91.05469	4.4
93.07004	12.1
94.06538	2.4
95.08589	31.0
97.10132	15.8
107.08582	12.3
108.08898	2.6
109.10119	14.4
119.08557	2.9
121.10138	3.5
123.08042	3.5
123.11652	2.9
124.11193	10.9
125.09605	11.7
133.10062	2.9
135.11691	3.6
137.08434	2.6
138.12740	4.2
140.14352	2.9
142.15910	5.8
151.20735	2.3
152.14307	4.7
161.09529	2.7
182.11731	5.2
294.21283	7.0
294.24185	48.5
312.25284	100.0
312.28513	7.5
312.32523	18.4
312.36282	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	312.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94113	1.3
55.01863	7.3
55.05509	4.3
56.05835	2.8
57.07082	3.2
60.04530	2.2
60.08165	2.2
60.25053	1.4
64.74145	1.7
67.05509	21.4
67.59546	1.5
68.05843	7.1
68.09610	1.6
69.07065	31.4
70.07384	10.7
71.08631	71.1
72.08961	27.1
73.69496	1.5
75.94731	1.6
79.05482	8.9
80.05815	2.6
80.65803	1.5
81.07051	30.4
82.07385	11.8
83.04967	3.1
83.08617	19.1
84.08949	3.9
84.43655	1.6
85.06575	2.0
91.05472	7.9
93.07037	13.3
94.07369	8.1
95.08600	27.1
96.08943	12.5
97.06525	6.7
97.10138	3.9
99.08083	47.0
100.08406	16.7
103.57758	1.7
105.07021	2.6
107.08591	11.1
108.08929	3.9
109.10155	8.9
110.10514	3.4
111.08033	2.3
119.08579	3.0
121.10133	11.3
122.10465	7.2
124.12035	3.2
131.08540	2.9
132.08873	2.5
135.11685	10.8
136.12035	6.5
145.10098	1.8
146.10463	3.0
147.11635	14.1
148.12022	24.5
149.09641	2.1
150.13583	2.5
153.12726	9.7
154.13081	4.1
161.13101	2.0
163.11206	1.9
163.14941	2.4
164.15178	3.1
165.12756	2.1
166.12997	3.5
174.13593	3.3
182.16177	2.2
184.63972	2.1
234.22836	2.4
244.21370	12.0
262.22397	16.2
279.23209	2.7
280.23486	100.0
294.24765	7.0
312.26099	38.5
312.32684	3.4
312.36148	27.7
322.45221	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	312.3253
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
57.07063	7.5
67.05486	0.9
69.07044	2.8
70.06574	1.1
71.08607	2.2
72.04480	0.9
74.06064	0.7
74.09727	0.7
77.35231	0.4
78.27959	0.5
81.07030	2.9
83.08596	2.9
85.10153	0.6
87.05576	0.5
88.07603	6.5
89.69422	0.5
92.10532	0.5
95.08575	2.7
97.10172	0.5
102.09154	3.0
109.10139	0.9
116.10730	0.6
121.21820	0.5
142.53249	0.5
146.94760	0.5
198.61940	0.6
243.91351	0.6
256.23492	1.0
256.26279	44.5
294.31491	14.7
312.32556	100.0
312.36063	6.9
331.25104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
54.38092	0.3
56.62148	0.3
57.07062	1.4
60.96488	0.3
61.44271	0.3
71.08619	0.8
72.04499	1.7
85.10152	0.4
87.03001	0.3
102.09156	1.6
116.10670	2.4
130.12248	0.7
158.45403	0.4
162.28062	0.4
199.66528	0.3
312.32568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0684
Annotation	Maxima isoflavone G
Peak:m/z	Relative Intensity
56.36024	1.1
57.03398	1.2
57.47736	1.1
69.03413	3.0
72.57320	1.2
76.21318	1.0
81.03385	9.5
81.07030	1.8
85.02863	5.6
91.05482	1.6
93.07009	1.5
95.08540	2.0
97.02880	1.3
105.07005	1.4
106.02883	2.3
109.02872	3.1
111.04400	5.1
121.02814	5.6
124.03885	2.4
125.05942	6.4
151.03883	91.8
169.04932	5.3
239.14049	1.6
284.06717	19.0
285.07736	1.6
295.08151	4.9
313.06952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
56.55827	0.2
57.03422	0.6
61.33522	0.2
63.52804	0.2
65.03933	1.2
67.05473	0.3
69.03423	4.4
71.04988	0.4
80.82763	0.3
81.02979	0.5
81.03411	8.8
85.02892	5.9
93.03381	2.0
95.08591	0.3
97.02858	2.0
99.04430	1.4
101.08624	0.3
109.02863	3.3
110.03555	0.4
111.04395	5.0
118.22563	0.3
125.05983	3.8
127.03928	1.2
137.05940	0.4
141.05460	1.2
141.06920	0.3
151.03880	100.0
151.04880	4.1
169.04906	6.1
174.05495	0.6
177.02534	0.4
177.05490	0.3
221.05922	0.4
248.96983	0.4
280.58578	0.3
295.08044	7.7
313.09323	3.3
313.17639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1793
Annotation	Rubifolide
Peak:m/z	Relative Intensity
53.39218	1.1
53.71783	1.2
54.88031	1.1
64.29913	1.5
67.05486	2.8
69.03407	5.5
69.07050	1.6
77.43027	1.5
78.45647	1.3
79.05471	2.3
81.03385	7.6
81.07039	2.4
85.02884	5.5
91.05446	1.6
93.07028	2.8
93.77718	1.4
97.02910	2.0
99.08041	1.5
107.08556	1.7
109.02853	2.8
109.06500	1.8
111.04417	6.2
116.70808	1.5
121.10072	3.3
125.05949	8.0
131.04858	1.5
131.08496	6.0
133.06494	2.7
133.10126	2.2
135.08011	2.2
135.11647	1.6
139.07561	1.5
141.05426	1.5
143.08521	2.4
145.06442	32.6
145.10129	2.5
147.11661	2.2
149.09552	1.9
151.03876	100.0
151.04965	3.9
157.10104	1.9
158.02144	1.6
159.07999	45.3
159.09268	2.0
169.04884	3.3
171.07951	1.8
171.11629	2.4
172.18451	1.9
185.13158	2.9
195.11658	6.3
199.11208	5.5
213.12563	2.2
270.47571	1.4
277.21588	2.2
295.08035	3.0
313.10413	2.2
313.17926	83.5
313.21616	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	313.1796
Annotation	Rubifolide
Peak:m/z	Relative Intensity
55.05501	4.3
57.03436	1.1
57.07063	2.4
67.05514	1.6
69.07094	3.5
71.08624	2.0
81.07049	4.9
83.08607	4.5
87.09211	1.6
93.07019	1.9
95.08603	5.9
99.08091	13.8
107.08572	2.0
109.10134	1.9
111.90359	1.1
119.08564	4.3
133.10083	4.3
141.06935	1.6
143.08569	1.7
147.04335	1.1
155.08578	1.9
157.06480	62.4
159.11600	1.5
160.81342	1.1
169.06477	1.4
171.08041	9.3
173.09592	10.3
181.10162	1.3
183.08063	10.4
183.11707	5.4
187.11171	2.5
196.04639	1.1
197.13235	5.0
199.11162	88.0
201.05443	19.3
207.11682	8.8
211.11223	1.8
213.12729	2.4
224.11943	9.8
225.12737	57.0
225.16388	5.6
227.14288	43.6
239.17931	2.4
243.10136	45.7
249.16359	10.3
252.14961	1.4
253.12355	1.7
267.17419	95.1
269.19022	28.4
271.13406	1.2
285.18469	13.9
295.16974	5.3
313.17990	100.0
313.21198	3.7
313.27090	2.6
318.31400	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	313.2005
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
55.01861	9.6
55.05503	16.2
57.03426	1.5
57.07080	2.1
62.67842	1.3
67.05496	32.0
69.03429	3.5
69.07056	35.5
71.04974	3.1
71.08602	1.5
79.05476	24.5
80.19498	1.7
81.03400	2.8
81.07047	40.7
83.04967	10.3
83.08607	14.6
87.04441	2.0
91.05442	11.1
93.07018	38.4
95.04935	5.9
95.08584	36.1
97.02929	1.6
97.06512	7.8
97.10151	25.7
99.08083	2.5
105.07019	6.4
107.08568	21.4
109.06496	7.7
109.10143	24.4
111.04430	16.0
111.08057	2.7
111.11683	1.5
113.06006	1.6
116.08142	1.6
117.06998	1.6
119.08566	18.6
121.06479	8.1
121.10126	45.8
123.08050	17.8
123.11672	3.7
125.05962	6.4
125.09610	16.6
130.32584	1.7
131.08528	6.4
133.10115	8.7
135.08043	3.2
135.11649	20.4
137.05959	100.0
137.09602	31.6
137.13182	2.1
139.11160	21.4
141.12784	2.0
143.08459	2.0
145.10097	6.2
147.08043	3.7
147.11632	13.4
149.09590	7.2
149.13193	7.9
151.03848	2.0
151.07521	1.9
157.10083	1.7
159.11667	2.6
161.09660	6.7
161.13252	6.8
163.11169	6.2
165.09111	3.6
165.12721	2.1
167.14304	2.5
171.10193	2.0
171.11595	2.6
175.11171	2.8
175.14818	6.3
181.12230	8.1
183.11708	3.5
189.11243	10.6
189.12743	2.1
197.13412	2.1
203.17924	2.1
213.16333	1.7
231.17513	2.0
241.19562	2.1
249.18474	1.6
249.21992	5.3
259.20682	2.2
267.17130	1.9
277.17963	51.3
277.21552	35.6
295.16199	1.7
295.19064	13.9
295.22653	59.6
313.17993	15.4
313.23709	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	313.2366
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
55.05500	21.7
57.03428	11.5
57.07062	6.7
58.92432	5.0
60.23693	4.6
66.01216	5.1
66.77518	5.9
67.05495	56.5
69.07053	35.6
71.04978	37.9
71.08619	5.1
75.34758	4.5
77.49531	4.8
79.05476	30.6
81.07036	100.0
83.04941	5.9
83.08592	32.3
83.12901	4.2
87.01749	4.5
90.67580	5.4
91.05453	34.7
93.07023	85.2
95.08579	88.1
97.06524	24.6
97.10176	8.6
99.08085	10.0
105.07035	9.9
107.08564	57.2
109.06464	6.5
109.10153	29.3
111.08055	8.4
117.68269	5.3
119.08538	16.9
121.10132	42.7
123.11626	8.9
131.08511	10.0
133.10103	29.8
135.11646	26.2
139.27792	5.6
145.10110	22.9
147.04407	6.4
147.11658	12.4
148.38458	5.8
149.13277	18.6
163.14761	10.6
173.13248	37.0
176.52327	5.4
187.14685	6.5
191.14291	6.7
194.58316	6.2
209.15280	8.7
227.16150	5.8
259.20490	20.2
277.21503	93.0
295.22415	10.4
313.14154	6.0
313.17847	11.6
313.24188	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	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01868	11.0
55.05508	22.1
57.03416	4.7
57.07067	2.2
59.05006	1.1
65.04367	0.9
67.05498	57.1
67.85335	1.0
68.85744	1.2
69.03425	5.5
69.06699	2.3
69.07057	49.0
71.04987	5.7
73.06555	2.5
79.05492	29.3
81.03404	4.6
81.07047	57.3
82.07155	1.0
83.04970	15.6
83.08623	18.5
85.06517	4.7
87.04466	1.9
91.05465	14.6
91.85802	1.1
91.97139	1.1
93.07031	57.1
95.04935	5.0
95.08594	60.2
97.06516	17.7
97.10152	34.6
99.04424	1.2
100.84751	1.1
105.07004	14.0
107.04853	1.2
107.08580	38.3
109.06503	2.5
109.10142	50.7
109.38882	1.0
111.04411	5.5
111.08078	5.0
111.11703	4.7
117.06976	2.0
119.08565	26.0
121.06490	8.3
121.10120	61.0
123.08042	22.3
123.11703	7.6
125.05934	1.5
125.09621	16.1
127.11194	1.2
129.06931	1.2
131.08557	5.9
133.10124	16.6
135.08054	2.4
135.11678	23.3
137.05975	8.6
137.09598	43.0
137.13235	1.4
139.11159	33.9
141.12686	1.3
143.08586	6.4
145.10117	8.4
147.08089	2.6
147.11696	8.6
149.13263	9.6
151.03862	1.9
151.11136	6.8
153.09079	1.2
153.12680	1.3
157.10072	2.5
157.12231	1.7
159.11662	5.1
161.09587	1.5
161.13269	7.0
163.11217	4.2
165.09082	2.1
167.14267	2.5
167.47972	1.1
169.12225	2.7
171.10226	1.7
171.11688	6.0
173.13228	1.6
175.09654	1.4
175.11130	1.4
175.14792	6.0
181.12209	7.4
183.11615	2.5
185.13237	4.6
187.14871	1.7
189.11237	9.1
193.15788	1.8
197.09480	1.3
197.13257	2.0
199.14832	1.3
207.10019	2.0
211.11243	1.5
211.16904	1.4
236.56075	1.3
239.14418	1.2
239.17949	2.0
241.19499	5.2
249.22110	6.1
259.20508	14.8
267.17426	2.0
269.18918	1.3
277.18304	4.0
277.21567	59.5
295.22626	100.0
313.10632	2.7
313.17960	25.0
313.23727	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	313.2367
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.06137	1.4
54.00050	1.1
55.01874	1.5
55.05496	6.6
57.03426	2.7
57.07076	12.6
59.04992	3.1
67.05493	67.4
69.03419	2.3
69.07049	8.9
71.04974	18.0
71.08618	71.5
73.60896	1.1
75.96638	1.2
79.05473	13.4
81.07048	33.4
82.73618	1.4
83.04958	2.7
83.08599	16.4
85.06515	10.9
91.05455	13.0
91.77206	1.5
93.07021	22.3
95.04983	1.9
95.08576	22.6
97.06487	2.1
97.10148	8.3
99.08073	58.0
105.07017	8.3
107.08564	13.0
109.06407	1.7
109.10135	96.9
109.10892	3.2
111.08012	4.7
113.09636	2.9
117.06999	2.5
119.08540	19.2
121.10114	8.1
123.11693	1.8
125.09595	2.4
126.09903	2.0
127.11185	5.5
129.07037	1.8
131.08571	2.3
133.10123	8.6
133.18642	1.4
135.11653	10.1
137.09583	10.3
137.47279	1.4
139.11177	1.5
141.12721	100.0
145.10106	7.8
147.04388	2.3
147.11697	3.1
149.13280	1.9
151.11145	44.6
155.10637	34.8
157.10046	1.6
159.11662	2.0
161.13174	14.1
161.26837	1.5
163.11163	12.5
165.12813	2.7
167.36539	1.7
171.11728	2.7
173.11697	86.6
173.13014	3.6
173.82884	1.4
177.12711	2.1
179.14253	14.8
189.11223	2.5
195.13832	1.8
241.19574	2.1
259.20432	5.2
277.21503	38.4
295.22534	29.3
313.17892	3.4
313.36331	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	313.2365
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.23024	2.0
55.01867	23.9
55.05500	42.3
57.03413	4.6
57.07054	8.5
67.05489	84.2
69.03413	8.2
69.07052	47.5
71.04983	4.8
71.08615	33.5
79.05090	2.5
79.05482	39.9
81.03399	9.1
81.07039	85.4
83.04958	10.9
83.08604	54.3
83.65722	2.1
85.06532	5.2
85.10173	4.4
91.05452	29.4
93.07015	55.2
93.10978	2.4
95.04932	12.4
95.08056	2.9
95.08591	50.2
97.06499	22.3
97.10142	25.8
99.08070	24.3
101.06011	2.4
101.09597	2.1
105.07020	27.2
107.04930	2.8
107.08568	44.5
109.06510	10.2
109.10133	64.5
111.08044	24.5
113.09637	3.5
117.07013	3.0
119.08543	32.0
121.10107	36.7
123.08035	13.0
123.11684	16.1
123.15846	2.1
125.09611	19.7
129.06950	2.6
131.08519	9.3
133.10080	33.0
135.08090	2.7
135.11662	29.8
137.09543	14.9
139.11153	19.7
143.08565	2.4
145.10065	3.8
147.11639	25.3
147.93919	2.0
149.09531	4.1
149.13208	26.6
151.03883	17.7
151.11140	22.0
153.12628	2.6
155.10663	7.9
157.10124	3.4
159.11613	11.3
161.13194	13.3
163.11186	9.1
163.14812	3.0
165.12740	17.6
167.14096	2.1
171.11604	4.9
173.11780	18.3
173.13081	3.7
175.11098	2.6
175.14690	2.7
177.12796	3.2
179.14299	12.0
180.46458	2.3
181.12238	2.3
189.11205	10.0
192.00029	2.4
195.13707	14.6
213.14844	5.0
217.19272	2.5
231.20947	4.6
241.19434	3.7
249.22055	10.4
259.20477	9.2
277.21552	99.6
280.76929	2.2
295.22598	100.0
313.10818	3.3
313.17862	4.3
319.35168	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2368
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.00298	1.2
55.01851	1.4
55.05508	14.6
57.03442	14.0
57.07072	49.3
57.07358	1.6
59.05001	1.3
64.60960	0.9
67.05499	30.8
69.06704	1.5
69.07059	28.7
71.04986	8.3
71.08618	55.2
79.05481	16.2
81.03406	2.3
81.07053	38.3
83.04967	8.6
83.08611	18.9
85.02845	1.2
85.06518	4.4
85.10172	44.8
91.05451	7.7
93.07021	29.1
95.04945	5.4
95.08595	55.7
97.06528	7.9
97.10156	19.3
99.08079	17.5
105.07045	9.3
107.04970	1.1
107.08582	25.7
109.06479	1.6
109.10137	19.6
111.08070	29.7
111.11702	2.0
113.09621	21.2
117.06969	2.4
119.08584	10.8
119.61844	1.1
121.06470	1.1
121.09322	1.8
121.10129	32.0
123.08018	1.8
123.11689	5.1
125.09576	6.4
127.11166	4.0
129.06947	5.1
131.08542	8.6
133.10094	9.0
135.08087	1.4
135.11656	12.1
137.13193	2.3
139.11169	17.4
141.12721	24.9
143.08533	4.4
145.10069	6.4
147.11642	12.0
149.09572	7.8
149.13206	4.4
151.11143	6.9
153.12701	1.6
155.08482	2.0
155.10609	1.6
157.10091	1.3
159.11673	1.8
161.13199	6.2
163.11111	7.5
165.12729	10.1
167.10631	6.0
169.10069	1.2
169.12181	5.3
171.11642	5.9
173.09619	1.7
179.14273	1.8
181.10081	1.0
181.12088	1.4
183.11624	5.2
183.13747	4.4
185.11659	4.8
185.13203	2.1
189.11143	1.2
192.09392	1.5
193.10092	1.2
195.11740	2.1
195.13519	1.1
197.09528	1.9
197.13220	6.9
199.11165	2.3
199.14720	1.2
203.12776	5.2
207.11681	13.3
211.11349	3.0
212.11922	2.1
221.13214	5.9
226.13536	1.8
239.14235	1.4
239.17892	2.0
241.15845	16.8
241.19292	3.5
245.54153	1.1
259.20535	5.8
267.17374	21.9
269.18964	21.5
277.21582	37.2
280.41141	1.3
291.05075	1.2
295.16965	5.5
295.22626	83.4
313.18063	16.8
313.23666	12.2
313.27264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36858	0.8
53.72316	0.9
55.05501	5.5
57.03172	1.0
57.03438	20.8
57.07074	58.3
66.33279	0.9
67.05501	13.3
69.07064	10.3
71.08623	43.0
72.08143	10.0
73.10196	0.9
81.07051	13.9
83.08610	10.7
85.10168	23.6
88.17931	0.9
89.05992	2.0
89.96466	0.8
93.07043	1.1
95.08598	23.0
97.10152	5.7
101.94115	1.1
103.07580	1.7
109.10137	10.9
111.11691	1.1
115.72054	0.9
118.60484	1.2
123.11672	3.7
137.38626	1.0
142.25729	1.0
151.01033	0.9
154.08716	0.9
157.10121	1.0
239.23756	1.6
257.24719	2.0
275.55270	1.0
295.22565	3.6
296.29395	8.2
313.27332	100.0
313.31964	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	44.6
57.03430	10.7
57.06805	2.6
57.07069	45.9
59.10047	2.1
62.99062	2.6
67.05494	43.0
69.06696	4.0
69.07056	100.0
71.04964	3.6
71.08626	31.1
79.05479	17.0
81.07049	68.9
83.04987	2.2
83.08607	81.1
85.06507	3.0
85.10157	15.0
90.37554	2.3
91.05465	11.2
93.07003	22.7
95.08591	81.4
95.22631	2.2
97.06508	11.4
97.10155	60.4
105.07009	11.4
107.08573	23.4
109.10136	54.5
111.08064	10.6
111.11695	17.9
119.08564	12.9
121.10108	29.5
123.08049	8.5
123.11662	16.9
125.09590	3.8
125.13229	3.7
133.10078	22.7
135.11705	18.0
137.09608	5.7
137.13235	4.1
139.11162	3.4
147.11687	13.7
149.13232	16.0
151.11116	2.7
161.13235	15.9
163.14771	13.1
165.12749	3.1
175.14815	9.5
181.15720	3.5
189.16386	4.9
240.66206	2.4
245.22620	18.9
263.23590	33.2
281.24701	13.7
282.12198	2.7
295.31900	5.0
313.18292	4.9
313.27835	54.3
313.36600	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
55.05498	5.1
57.03436	14.6
57.07074	48.4
64.91650	0.8
66.01714	1.0
67.05499	7.5
69.07063	9.0
71.08624	32.9
71.92332	0.8
74.89551	0.8
78.03807	0.9
78.37331	0.9
81.07054	9.3
83.08617	7.9
85.10180	20.0
89.06020	1.4
95.08596	16.9
95.40910	0.8
97.10135	5.6
103.07597	1.5
109.10146	5.9
110.53327	1.1
123.11658	1.7
128.40602	0.9
138.82980	0.9
165.90614	0.9
193.67404	1.0
211.17447	1.0
239.23697	1.5
249.88124	1.0
298.38428	1.0
313.27319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88203	0.2
53.03938	1.6
58.81263	0.2
59.42130	0.2
70.06573	0.5
81.03409	18.0
91.07361	0.3
106.81777	0.3
109.02861	100.0
109.12524	0.3
127.10153	0.3
134.10385	0.3
136.88179	0.3
146.70482	0.3
151.03899	0.5
155.89859	0.3
165.33434	0.3
201.63573	0.3
207.06523	0.3
212.07181	0.3
248.92062	0.3
296.05374	0.6
314.06763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0916
Annotation	Neoamphimedine
Peak:m/z	Relative Intensity
51.54557	0.2
53.00280	0.2
53.45740	0.2
57.93412	0.2
61.01147	0.4
62.06078	0.8
63.15335	0.2
69.03411	0.9
70.06594	0.2
75.90484	0.2
81.03403	0.4
85.02888	0.3
89.06022	0.9
97.02884	37.8
98.00719	0.2
109.02862	2.1
135.06558	0.3
136.06178	100.0
143.01556	1.7
146.05070	0.2
161.02679	0.5
162.07796	0.4
164.05644	5.6
173.04042	0.2
178.07222	2.8
179.03714	1.3
183.04846	0.2
248.07849	0.4
250.09236	0.4
273.09375	0.3
278.07101	0.4
296.08142	3.0
304.00278	0.2
314.09122	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	314.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
60.04508	0.8
69.03410	4.0
70.06570	0.9
71.04942	0.7
72.08134	2.7
74.73891	0.8
81.03406	19.8
81.07128	0.6
85.02395	0.9
85.02889	14.3
91.05457	25.2
93.16850	0.7
97.02854	5.0
105.06997	1.2
109.02858	100.0
115.03889	0.6
116.07055	1.5
117.06985	43.3
127.03900	3.4
134.09627	1.2
145.04955	1.2
151.03839	0.7
152.07114	0.9
152.10663	59.4
176.10703	1.4
188.03363	1.1
194.11734	3.1
209.31880	0.8
278.13882	1.5
296.14810	1.5
314.15887	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	314.2683
Annotation	N-Palmitoyl Glycine
Peak:m/z	Relative Intensity
55.05518	4.0
57.07058	12.3
59.06112	2.8
60.04515	45.2
67.05495	4.7
69.07055	17.4
71.08607	11.3
71.37421	2.3
81.07043	12.4
83.08601	17.2
85.10160	3.6
85.45313	2.3
89.45576	2.6
95.08591	10.7
97.06445	3.6
97.10147	5.3
109.10128	4.9
109.34312	2.7
111.06935	2.9
111.11674	3.2
121.10118	3.6
125.09617	5.4
135.11711	6.4
139.11163	3.7
165.55823	2.6
219.21080	4.9
237.22176	3.7
247.40550	2.8
254.24695	100.0
264.87039	3.1
296.25797	41.9
314.26648	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	314.999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93826	0.5
56.69070	0.3
59.06492	0.3
69.96164	7.3
75.26047	0.4
85.96236	0.4
101.62585	0.4
109.04485	0.5
117.87762	0.4
119.01890	0.5
130.99335	0.4
131.96121	7.1
149.97162	7.8
190.94772	1.0
207.96294	1.6
208.95943	2.6
217.09335	0.4
219.02034	1.8
220.02075	0.7
231.96227	9.9
232.95879	15.5
232.98155	0.6
234.47917	0.5
249.97353	28.5
250.96907	13.3
255.96043	4.0
272.98535	0.5
273.97223	59.5
286.04385	0.4
289.02026	0.4
291.98291	100.0
296.98795	2.0
314.95657	0.5
314.99854	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	315.0858
Annotation	5,3',4'-Trihydroxy-7-methoxy-6-methylflavone
Peak:m/z	Relative Intensity
53.03947	2.3
53.73359	0.5
55.01863	0.4
59.04987	0.5
68.93649	0.5
73.02893	0.9
81.03405	19.0
81.07037	0.5
91.05461	0.7
103.05425	0.6
105.05731	0.6
107.05005	0.7
109.02862	100.0
110.03196	2.6
112.48573	0.6
117.57104	0.5
119.08585	0.6
121.06503	0.6
131.04892	1.4
137.05936	0.8
147.08012	0.6
149.06110	0.6
153.33437	0.5
159.04295	0.8
160.05208	0.7
161.05978	0.7
163.11240	0.7
175.25661	0.5
179.06966	0.5
188.04736	0.8
197.80415	0.6
206.05756	2.7
209.06015	0.6
219.06465	3.0
221.06021	0.5
227.07039	1.0
237.05400	0.8
269.08160	1.3
287.09097	1.4
315.08572	8.6
315.12192	2.6
315.19443	3.8
322.86728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83588	1.2
57.03442	1.7
59.80858	1.2
61.61312	1.3
64.45567	1.4
83.59801	1.5
91.05415	1.9
93.06999	1.7
95.37653	1.8
101.86566	1.6
107.08518	1.6
121.02840	3.2
137.05948	14.6
151.03888	10.7
151.07498	21.6
165.05446	10.7
165.09122	2.9
167.07019	7.8
171.11647	2.2
179.06978	64.2
191.07042	1.8
197.08029	7.4
207.06590	3.9
209.07996	21.2
225.07526	100.0
226.08321	3.1
226.13815	1.6
238.08600	2.0
250.96890	2.1
251.09052	19.3
269.10208	24.2
269.18973	2.2
315.19354	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	315.1951
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
54.78287	1.0
55.05498	2.7
66.41606	1.1
67.05495	1.5
69.03420	1.0
69.07079	1.8
78.54410	0.9
79.05469	5.6
80.32993	1.0
81.03368	1.3
81.07040	8.1
83.04962	7.5
91.05457	6.5
93.07019	7.4
95.04919	1.9
95.08575	8.1
97.06520	2.1
105.07019	10.2
107.08569	11.7
109.06519	4.6
109.10145	10.7
111.08047	5.0
112.97466	1.1
117.06973	1.8
119.08562	18.0
121.06450	2.3
121.10103	8.2
123.08027	7.5
125.09605	1.4
127.83479	1.3
129.06975	2.2
131.08536	6.6
132.05704	1.1
133.06477	1.5
133.10089	8.6
135.08008	13.5
137.09601	5.6
143.08588	4.7
145.06454	1.4
145.10112	14.0
147.08017	48.6
147.11661	61.0
149.09586	22.6
156.09334	1.8
156.69180	1.2
157.10101	5.1
159.08026	5.7
159.11661	5.4
161.09561	19.6
161.13199	17.4
163.11160	10.3
165.09038	11.6
169.10095	2.5
171.07983	1.9
171.11607	11.5
172.08839	1.5
173.09622	11.0
173.13150	1.1
175.11050	3.8
180.64738	1.2
181.10197	2.2
185.09573	5.0
185.13246	2.3
187.11142	8.6
189.12700	14.6
191.10716	1.3
193.10175	1.3
195.11688	5.1
197.13173	1.7
199.11131	7.4
199.14720	2.0
201.11092	1.1
201.12698	11.3
203.10556	4.0
207.11713	1.2
209.13290	2.0
211.14699	1.3
213.12660	6.4
213.16255	1.9
215.10637	18.9
215.14253	6.1
217.12347	1.9
221.12990	1.0
226.13507	1.1
227.14218	2.1
237.16344	9.7
239.14326	2.5
251.17860	4.3
254.16603	9.3
255.13783	1.1
255.14738	1.6
255.17387	26.1
264.15125	2.1
269.19006	10.1
271.20575	8.4
273.18463	24.6
279.17410	10.5
297.18436	78.6
315.19495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
53.69673	2.7
56.90749	3.5
57.03438	4.7
58.37486	2.9
58.72366	3.2
59.05011	2.8
67.05497	6.3
68.30872	3.1
69.07069	5.5
69.25481	3.0
70.83820	3.3
81.07053	7.0
83.04948	3.9
93.07037	4.4
95.08595	18.9
105.06989	13.2
107.08591	19.0
109.10160	17.3
111.08038	4.0
119.08546	13.9
121.06464	4.4
121.10083	5.2
123.08088	4.3
130.17709	3.9
133.10104	7.9
135.08035	17.3
145.10162	4.5
147.08031	42.0
147.11662	41.7
149.09584	15.9
159.08119	4.2
161.09624	14.8
161.13316	5.1
163.11224	4.4
165.09055	13.8
171.11646	5.6
173.09590	6.5
183.11642	4.0
187.11151	4.0
189.12721	8.3
213.12822	4.5
215.10675	14.8
237.12868	4.0
237.16257	6.3
251.17975	4.6
254.16516	3.9
255.17543	25.3
269.18997	6.9
271.20615	16.0
273.18439	16.8
274.27341	18.5
297.18427	56.1
309.26315	4.0
315.19504	100.0
315.23184	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	315.1946
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
57.67802	1.1
59.09037	1.1
81.07060	1.5
91.05448	1.3
93.06973	1.2
95.08592	1.5
109.06525	1.6
127.07486	1.2
131.08559	2.3
133.10089	1.4
135.08008	2.1
143.08534	1.4
145.06471	1.5
145.10075	7.0
147.08015	38.4
147.11647	5.3
149.09587	2.4
153.09007	1.5
155.08498	10.7
159.08051	1.9
161.09589	4.9
161.13141	1.2
173.09566	7.5
187.11090	2.1
189.12630	1.2
195.11601	1.7
197.13210	7.3
209.13152	1.9
215.10582	1.5
215.14197	2.6
255.17313	1.2
273.14789	28.7
279.17444	1.5
283.09619	5.0
297.18402	8.9
302.96671	1.2
315.19467	100.0
334.14493	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	315.1952
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
54.96160	0.3
55.05510	0.5
69.07069	0.4
80.44524	0.3
81.07043	0.9
83.04958	0.6
83.08618	0.8
91.05470	1.8
93.07037	0.6
95.08602	3.6
97.06474	0.4
105.06999	0.8
107.08585	0.5
109.06529	0.4
109.10149	2.3
111.08042	2.4
115.05373	0.4
119.08567	2.3
121.10083	0.6
123.08078	3.6
129.07019	0.5
131.08549	4.6
133.06473	0.6
133.10110	2.5
135.11676	0.3
137.06033	0.4
137.09570	3.7
141.06950	0.4
143.08598	0.5
143.84184	0.4
145.06480	18.1
145.10152	1.3
147.08029	2.2
149.09651	2.4
155.08580	0.9
157.10094	1.6
157.31300	0.4
159.08032	79.1
159.11667	1.7
161.09624	2.0
167.08543	0.4
169.10040	3.9
171.08005	1.5
171.11639	0.6
172.38145	0.3
173.09610	0.7
175.11208	0.4
181.10086	1.3
183.11731	1.9
185.09616	2.4
185.13295	0.5
187.11195	1.5
192.09248	0.4
193.10135	0.5
194.77705	0.3
195.11673	6.9
195.45503	0.3
197.09499	0.5
197.13220	3.6
199.11177	1.5
207.11678	7.4
209.13228	1.9
211.11159	1.8
211.14806	0.4
225.12738	2.1
237.12527	0.6
237.16144	1.0
239.10849	0.4
246.14136	0.4
251.17805	0.8
261.16373	0.6
264.14944	0.4
269.18790	0.5
279.17419	1.7
282.16116	0.7
286.18686	0.3
288.80807	0.3
297.18317	2.3
311.89398	0.4
315.19507	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	315.195
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
54.71899	2.1
55.05506	3.9
59.04992	25.3
61.60495	2.4
67.05487	2.3
71.55871	2.7
73.62340	2.7
77.44625	2.8
79.05473	3.2
81.07043	16.6
83.08633	3.6
85.06524	5.8
91.99312	2.5
92.84013	2.4
93.06989	3.9
95.08624	4.2
105.06999	3.8
109.10098	3.5
111.08064	5.5
127.07533	18.1
131.08533	4.0
133.10139	15.9
141.06966	4.2
157.06435	2.9
161.45744	2.6
167.08524	32.3
179.08488	31.2
181.10132	12.2
183.11650	59.6
185.09535	3.6
185.13232	4.0
187.11320	2.9
193.10085	34.3
194.10847	3.2
195.08038	16.9
195.11687	25.8
197.09474	3.2
197.13211	4.3
199.07512	4.9
199.11203	22.4
209.09749	2.8
209.13210	100.0
211.14786	6.1
213.09096	12.1
213.12790	11.5
219.11703	11.1
221.13280	11.7
223.11194	26.5
223.14777	5.4
225.12801	3.9
227.14258	6.7
235.14777	11.3
236.11887	3.5
237.12714	27.2
237.16341	6.5
251.14262	58.8
251.17903	97.5
253.15916	4.2
255.13762	12.7
261.16357	4.6
267.17328	20.3
269.18961	17.7
279.17343	50.0
283.10007	3.2
293.40680	2.9
297.18393	45.3
315.19470	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	315.195
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
52.16989	0.8
54.81916	1.3
54.85707	1.0
59.38594	0.9
65.55432	0.9
67.05488	5.3
81.07039	18.4
84.23849	1.0
93.07012	1.3
95.08588	5.2
96.07595	1.1
97.06499	6.3
104.63890	1.1
105.07028	2.3
107.08588	4.2
108.46908	0.9
109.10135	7.2
111.08065	1.5
119.08556	4.3
121.06478	15.5
121.10126	2.0
123.11697	14.4
131.08517	5.0
133.10068	1.8
143.08545	1.9
145.10097	4.6
147.07994	6.0
147.11684	1.5
149.09575	11.5
157.10094	4.9
159.08018	1.7
159.11697	4.4
161.09579	8.4
163.11136	8.6
169.10114	2.3
171.11653	4.6
173.02225	1.1
173.09616	2.3
173.13222	1.0
175.11122	8.5
175.14734	1.4
185.13159	2.6
187.11179	1.6
189.12692	4.2
195.11526	1.9
197.13239	2.5
199.14787	12.1
211.14798	1.4
213.12804	2.4
222.99469	0.9
241.16023	1.3
241.19438	6.7
269.18881	22.2
271.20483	100.0
297.18552	6.4
315.19437	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	315.1951
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
55.05493	1.7
59.04999	1.3
67.05501	1.8
69.03403	1.3
69.07046	1.9
71.01337	2.3
71.04974	1.9
75.30759	0.9
79.05454	1.9
81.07027	5.6
81.45314	0.9
83.04958	10.8
85.06519	1.6
91.05463	1.8
93.06996	4.3
95.04969	1.9
95.08590	5.1
97.06515	4.8
99.18555	1.0
105.07021	7.7
107.08565	5.8
109.06463	2.4
109.10147	8.6
111.08038	2.3
119.04910	1.5
119.08539	5.7
121.06476	5.6
121.10111	7.4
123.08066	2.4
123.11652	2.1
125.05914	5.1
131.08546	4.3
133.06487	1.1
133.10092	5.8
135.08002	4.9
135.11705	3.5
143.08534	4.3
145.06348	1.1
145.10092	6.8
147.08029	24.4
147.11638	4.6
149.09587	6.3
151.11130	1.6
155.08527	1.0
157.10103	6.1
159.07996	2.0
159.11646	6.2
161.05930	10.2
161.09581	6.0
161.13188	13.0
163.07487	5.1
165.12766	1.1
167.08545	1.3
169.10092	2.2
171.11642	6.8
173.09622	5.3
173.13260	7.8
175.11079	2.3
183.11641	6.5
185.13208	3.8
187.11089	4.3
189.12784	1.3
191.06895	1.3
195.07997	6.7
195.11681	4.7
197.13260	4.6
199.11214	5.7
199.14827	2.1
201.12723	4.8
203.10648	1.3
209.13217	4.4
211.14775	5.4
213.12703	4.8
213.16333	1.7
222.06726	2.1
223.07486	13.1
225.16408	1.4
227.14294	1.5
227.17876	1.8
237.16331	4.7
239.14354	2.0
240.07756	1.8
241.15877	1.4
245.18846	1.6
251.06892	4.0
251.14212	1.3
251.17903	4.6
251.86678	1.1
255.10075	8.1
255.17398	6.3
264.14990	1.2
265.08453	1.4
269.08157	1.7
269.19025	10.1
273.18405	5.5
279.17374	5.6
283.09601	33.7
284.10486	5.2
287.20135	1.1
297.18463	26.1
315.12216	19.5
315.19482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
55.05495	1.5
56.95058	0.9
57.03429	1.5
59.04993	8.9
61.93575	1.0
65.49202	0.9
67.05499	2.0
69.03398	1.1
69.07053	5.1
75.04454	1.7
81.07039	7.7
83.08587	1.7
85.06516	1.3
91.05463	2.7
93.07039	4.6
95.04977	1.2
95.08582	8.4
97.06490	6.4
97.10139	1.1
99.04477	1.1
105.07005	5.9
107.08567	5.4
109.10129	6.8
111.08066	1.5
117.07013	1.8
119.04876	1.5
119.08572	10.6
121.06468	2.1
121.10110	2.7
123.08087	2.1
123.45943	1.1
123.68193	1.0
129.06981	1.8
131.04904	4.5
131.08549	8.6
133.06471	37.1
133.10086	6.4
135.08022	2.1
135.11620	1.4
137.05956	2.5
137.09560	4.5
143.08519	11.3
145.06476	16.3
145.10109	8.0
147.08025	4.0
147.11661	2.4
149.09592	1.3
149.13251	1.5
155.08531	5.3
157.10077	5.9
159.08028	31.3
159.11630	5.5
161.05899	4.7
161.09605	2.3
163.07526	13.2
163.11169	1.8
169.10103	4.7
171.08029	2.5
171.11638	11.8
173.09549	4.2
173.13188	1.2
177.09052	1.3
181.10150	1.7
183.08098	1.4
183.11650	2.2
185.09634	2.4
185.13203	2.1
187.11182	1.7
189.09102	1.5
195.08015	2.6
195.11694	6.0
197.13258	2.7
199.11130	2.3
199.14828	1.8
200.59360	1.3
203.10652	2.5
205.12111	1.3
209.09557	2.2
209.13237	2.4
211.11118	2.7
211.14905	2.2
213.08916	1.5
213.12764	5.2
215.14206	2.1
217.12213	1.5
223.07507	5.9
223.14822	1.8
227.10620	1.9
227.17790	1.8
229.12140	1.5
231.13744	1.5
241.15967	1.4
251.07066	1.8
251.14330	1.3
251.17938	6.3
255.10149	1.3
255.17375	2.1
257.15363	5.5
269.15482	10.5
269.18845	12.6
271.16959	1.8
279.17349	8.1
283.09576	12.4
287.19946	11.6
297.15329	1.3
297.18433	55.8
315.12161	5.9
315.19513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2526
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
54.77565	1.7
55.05497	19.1
57.03442	3.2
57.07064	4.1
67.05499	81.0
69.07055	47.2
70.37913	1.8
71.04972	9.4
71.08636	2.9
71.13058	1.7
79.05499	24.0
81.07050	100.0
83.04958	8.9
83.08607	19.0
85.06527	4.2
86.01377	1.8
86.70703	1.8
91.05452	7.4
93.07028	31.6
95.08589	84.1
97.06524	14.8
97.10155	31.6
99.08088	2.5
100.14540	1.8
105.07037	12.4
107.08587	30.4
109.06500	2.5
109.10142	41.6
111.08056	2.8
111.11703	3.3
117.06972	1.9
119.08566	12.6
121.10114	42.8
123.08064	2.6
123.11668	25.1
125.09615	13.2
130.93173	1.9
131.08566	10.3
133.10103	9.3
135.08034	3.0
135.11685	21.9
137.13222	9.7
139.11179	20.9
145.06386	1.7
145.10106	3.4
147.08029	4.1
147.11658	17.8
149.09604	2.5
149.13254	9.6
151.11246	2.2
151.14717	1.8
153.12662	3.2
159.11626	3.6
160.54611	2.4
161.09683	2.6
163.11101	2.7
163.14816	3.7
165.12733	8.8
167.10629	2.1
173.13234	6.7
183.13756	3.0
185.09795	2.7
185.11665	6.2
189.11151	3.3
189.49983	1.8
194.15802	1.7
195.13844	3.2
203.12723	6.4
236.11140	1.7
241.80777	1.7
243.20982	3.0
261.22067	14.0
279.23114	95.0
297.18546	3.1
297.24176	26.9
315.19470	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	315.2524
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.03932	1.1
55.01844	2.0
55.05507	11.6
57.03416	2.3
57.07057	4.0
66.72900	0.9
67.05495	64.4
69.03407	1.1
69.07058	30.7
71.04980	11.9
72.74055	0.8
79.05072	1.5
79.05475	17.2
81.07044	100.0
83.04970	7.5
83.08606	19.1
85.06526	11.6
91.05466	10.4
93.06448	1.5
93.07026	28.6
95.04966	1.6
95.08587	99.6
97.06512	9.1
97.10162	14.3
99.08070	4.7
105.06991	10.1
107.08572	27.3
109.06473	4.1
109.10138	58.5
111.08060	5.0
111.11675	3.7
117.06977	3.7
119.08546	13.0
121.10107	28.5
123.08020	4.8
123.11674	25.2
125.09587	5.4
131.08525	7.6
133.10127	13.6
135.08026	4.1
135.11673	24.1
137.09624	1.7
137.13240	12.5
139.11131	4.5
143.08540	5.2
145.10126	7.8
147.08073	7.5
147.11670	18.4
149.09561	1.7
149.13211	12.0
151.11147	2.4
151.14734	2.1
153.12750	1.7
157.10100	4.1
159.07970	1.9
159.11641	6.8
161.13196	14.5
163.11183	1.8
163.14789	5.9
165.12724	7.3
166.71347	1.1
167.08517	1.4
171.11607	1.4
173.09642	4.8
173.11778	2.4
173.13225	6.4
175.14812	4.5
177.16380	2.3
179.14279	4.8
183.11685	6.9
185.13194	2.6
187.14752	6.1
195.08046	1.4
195.11659	1.9
195.13744	1.3
199.11127	4.3
201.12738	1.9
209.13287	5.0
209.15239	3.7
211.14674	1.5
213.12645	5.3
223.16788	1.2
225.16321	3.8
227.14268	1.7
227.17850	1.9
229.62910	1.2
237.12724	1.2
243.21097	11.2
251.14157	1.1
251.17917	4.9
261.22128	22.7
269.18954	2.1
273.14740	8.7
279.23135	97.0
283.09619	1.5
287.19864	1.7
297.18591	4.3
297.24167	49.5
315.19482	59.8
315.24850	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	315.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.5
57.03429	4.8
59.04984	3.0
67.05485	39.6
68.47678	3.4
69.03384	3.8
69.07053	19.8
72.08155	5.0
75.04461	4.4
76.94531	3.3
79.05482	14.5
81.07047	67.0
83.05968	3.0
83.08627	13.0
85.06500	5.1
91.05480	6.0
93.07024	24.3
95.04948	4.3
95.08591	72.6
97.06498	7.9
97.10133	13.2
99.08095	3.5
105.07017	22.4
107.08580	22.6
109.10150	35.5
111.08081	6.2
114.97659	3.9
117.06944	4.3
119.08528	21.9
121.06508	8.2
121.10117	34.0
123.08048	5.0
123.11677	18.9
126.09727	4.2
131.04898	4.3
131.07083	5.9
131.08530	6.6
133.06410	6.7
133.10127	20.5
135.08029	7.3
135.11676	15.5
137.06078	3.4
137.13281	6.1
143.08542	5.4
145.10118	14.7
147.07986	5.2
147.11693	8.1
149.05928	3.9
149.09616	8.8
149.13261	7.7
151.03891	4.5
157.10051	7.2
159.08029	6.1
159.11685	15.5
161.05910	30.2
161.09627	16.2
161.13191	5.9
165.07013	3.9
167.08459	7.0
169.09998	6.3
171.08125	4.7
171.11627	7.3
173.13268	7.4
175.11206	4.0
185.13176	4.4
187.11130	4.5
191.83908	3.8
194.07233	5.0
195.07999	20.1
197.13187	4.6
199.11160	6.9
209.13287	4.5
211.14763	4.5
213.12808	8.7
222.06674	5.2
223.07483	48.7
240.07773	6.3
241.19341	5.5
243.20914	5.6
251.06999	17.2
251.17802	15.0
255.10036	33.4
261.22021	14.5
265.08566	6.5
269.08057	7.6
269.18967	26.9
271.20474	15.4
279.23169	61.3
283.09592	98.2
284.10364	6.4
297.18469	25.3
297.23981	31.1
315.08643	7.1
315.12216	62.0
315.15787	8.6
315.19397	100.0
315.22784	6.4
315.29999	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	316.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01865	0.8
55.05503	2.0
57.07063	1.6
60.04507	4.4
67.05487	2.0
69.03425	1.0
69.07055	3.5
70.06576	1.0
79.97217	0.8
81.07048	6.9
82.07370	1.3
83.04981	4.3
83.08597	1.4
87.04462	22.2
88.07616	4.2
91.05464	5.0
92.05781	1.8
93.07037	3.7
94.07368	1.7
95.08595	7.3
96.08911	3.4
97.06506	3.9
98.06850	0.8
102.09166	1.9
105.07034	4.9
106.07374	3.3
107.08595	7.5
107.33796	0.9
108.08934	2.1
109.06499	1.8
109.10183	7.0
109.10809	0.9
110.10479	4.0
111.08063	1.6
112.08398	0.9
117.07014	1.5
118.07333	1.2
119.08568	9.0
120.08894	7.0
121.06490	2.1
121.10128	5.1
122.06797	1.5
122.10455	1.4
123.08043	1.8
123.11686	1.4
124.08411	1.3
124.11987	0.9
130.07310	1.1
131.08551	4.8
132.08885	1.5
133.10141	3.2
134.10417	2.1
135.08084	6.1
135.11673	1.5
136.08368	5.8
137.09634	4.0
138.09903	3.5
143.08597	1.3
144.08868	2.1
145.10091	4.7
146.07187	0.8
146.10458	7.6
147.08029	23.8
147.11670	22.8
148.08363	28.4
148.12009	26.7
149.09581	7.8
150.09969	8.0
157.10109	1.2
158.10439	2.0
159.07997	1.4
160.08414	1.8
160.12067	1.9
161.09584	7.9
161.13220	6.3
162.09914	8.7
162.13565	7.4
163.11093	3.7
164.11534	6.6
165.09105	4.0
166.09480	6.8
170.10500	1.0
171.11610	2.1
172.11955	6.7
173.09506	3.7
174.09923	5.2
174.13560	1.3
175.11043	1.3
176.11523	1.5
182.10428	3.3
184.12082	1.1
186.09927	1.9
186.13625	1.1
187.11151	1.4
188.11464	8.8
189.12700	4.9
190.13055	11.9
196.12065	3.9
198.13602	1.2
199.11046	1.1
199.14699	1.3
200.11554	4.8
200.15056	2.1
201.12799	3.5
202.13039	7.3
209.12936	1.1
210.13396	1.2
214.13098	3.9
215.10701	1.9
216.11000	10.3
216.14621	3.2
228.14774	1.3
228.18208	1.8
237.15932	1.2
238.12965	1.2
238.16711	6.8
240.14606	1.4
242.19803	1.8
252.18262	4.0
254.16243	1.9
255.17027	11.4
256.17767	20.7
256.26285	13.5
256.92932	2.0
265.15311	1.5
270.19324	13.4
272.20853	15.5
273.18466	1.6
274.18817	22.4
274.93875	4.6
280.17844	8.8
298.18793	70.6
316.19855	100.0
316.28357	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
63.14696	0.6
69.07053	1.2
81.07033	1.4
83.05006	1.0
91.05479	1.0
93.07044	2.6
95.04944	1.0
95.08588	3.4
97.10152	0.8
105.07037	1.4
107.08575	4.6
109.06488	1.0
109.10136	1.3
119.08546	4.5
121.06532	0.8
121.10111	3.4
123.08039	1.1
123.11678	1.1
131.08549	3.3
133.10080	5.4
133.83525	0.7
135.08041	1.4
135.11700	0.9
143.08498	0.8
145.10089	3.1
147.08035	6.1
147.11661	1.7
149.09598	3.0
155.08492	0.9
157.10150	1.5
159.08003	0.9
159.11681	1.4
161.09575	1.6
161.13179	0.7
169.10040	1.2
171.11638	3.0
173.09550	0.8
173.13223	3.5
175.11139	1.0
181.10048	0.7
183.11656	1.1
197.13275	0.9
201.12776	1.3
203.14389	0.8
213.12726	1.3
225.12817	0.8
225.16423	0.8
241.15910	0.8
250.24501	0.7
253.19432	1.1
257.19058	0.8
263.17877	0.9
271.20471	2.7
274.04733	4.8
281.18991	4.2
299.09164	1.3
299.20013	8.8
302.04172	41.5
317.06525	100.0
317.17245	3.3
317.21072	18.5
334.42352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1741
Annotation	CHEBI:70691
Peak:m/z	Relative Intensity
55.05507	1.3
57.14621	0.8
60.99916	0.8
65.35889	0.8
67.05479	1.7
69.07043	2.1
73.00026	0.9
79.05457	2.1
81.07030	10.0
83.08618	1.2
85.90223	0.8
91.05436	3.7
93.07012	20.2
95.04940	23.7
95.08598	10.1
97.06491	2.1
105.07012	6.6
107.08562	7.5
109.02845	23.0
109.06519	10.0
109.10114	5.1
111.08064	1.5
119.08578	10.4
121.06495	2.2
121.10113	7.3
123.11660	1.5
129.65450	0.9
131.08530	4.2
133.06425	1.6
133.10094	8.2
135.04401	4.3
135.08031	2.2
135.11647	2.2
137.05942	58.0
137.09616	1.5
139.03891	1.5
143.08540	4.5
145.02754	1.0
145.06447	1.8
145.10092	6.5
147.07990	14.1
147.11690	3.7
149.09581	2.4
153.05402	4.2
155.06992	20.6
155.08296	1.8
157.10086	5.2
159.08005	5.8
159.11659	6.4
161.09567	5.1
161.13268	1.3
163.11111	1.9
169.10124	3.5
171.08043	1.2
171.11656	1.3
173.09578	8.0
173.13214	4.9
175.11104	1.8
181.04900	4.5
182.10881	1.2
183.11510	1.4
185.09627	4.1
185.13258	2.0
187.07591	1.4
187.11119	6.6
187.14754	1.6
189.12640	1.7
197.09584	1.9
197.13231	5.1
199.11139	4.4
199.14799	4.2
201.09160	1.8
201.12750	2.3
203.10623	1.2
209.09871	1.0
211.10991	2.9
211.14836	2.0
213.12726	1.0
215.10596	2.3
215.14328	3.8
225.12563	1.7
225.16385	1.2
229.15857	2.0
231.13710	1.6
239.14232	6.0
239.17984	1.1
241.15866	5.1
243.13831	2.1
245.15315	1.8
253.15688	2.3
253.19463	5.6
255.20955	1.2
257.15283	7.8
271.16983	2.0
271.20471	5.0
281.18997	6.2
287.19952	1.9
299.16364	12.1
299.19995	18.6
317.17377	100.0
317.21039	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	317.174
Annotation	1-Dehydro-15alpha-hydroxytestololactone
Peak:m/z	Relative Intensity
55.05491	4.0
58.04206	0.7
59.04998	3.1
66.66959	0.8
67.05489	1.5
69.03420	1.5
69.07050	5.4
79.05479	3.4
81.07051	8.8
83.04965	20.9
83.08630	1.0
91.05443	3.8
93.07016	8.6
95.04964	4.0
95.08584	9.5
97.06496	2.0
99.04430	1.5
105.07024	7.4
107.08580	11.4
109.02884	1.3
109.06495	7.6
109.10127	6.4
111.04390	1.6
111.08071	4.7
117.06995	1.9
119.04936	4.8
119.08549	7.7
121.06466	11.6
121.10070	7.0
123.08042	1.5
123.11671	2.1
129.06969	1.9
131.08566	6.6
133.06490	2.0
133.10078	12.7
134.38156	0.9
135.08060	4.2
135.11653	3.8
137.05954	5.4
137.09624	1.7
137.13249	1.2
143.08516	6.3
145.06465	1.3
145.10049	6.9
147.04427	0.8
147.08034	9.3
147.11636	7.0
149.05962	5.0
149.09586	4.1
151.11115	0.9
153.05457	3.6
155.07129	0.7
155.08527	3.4
157.10071	12.8
159.08055	4.4
159.11621	10.4
161.09563	7.3
161.13216	1.3
163.07520	1.5
163.11200	1.1
165.05409	19.2
167.10594	0.8
169.10114	6.1
170.10938	1.1
171.11613	14.3
172.12448	0.9
173.09584	5.4
173.13200	9.1
175.11153	3.7
179.06990	3.9
182.10858	1.0
183.08063	1.1
183.11633	7.1
184.12450	0.9
185.09595	1.4
185.13159	6.4
187.07465	2.1
187.11139	5.0
189.09106	1.3
191.07022	3.4
191.10590	1.0
195.11710	4.9
196.12401	1.0
197.09541	1.5
197.13280	5.7
199.11134	5.1
199.14767	1.7
201.09105	5.6
201.12776	4.0
207.11719	1.7
209.13245	4.5
211.11171	2.9
211.14754	7.8
213.12711	1.6
213.16473	1.4
215.10638	3.6
215.14307	1.5
217.12086	1.3
219.10089	2.0
220.12486	5.2
221.13243	1.3
222.14082	1.4
225.09042	1.1
225.12822	1.3
225.16263	10.2
227.14371	1.2
229.08536	0.9
229.12270	3.3
229.15892	1.4
231.13794	1.0
233.11534	6.0
235.14761	11.4
237.16284	1.5
239.14319	4.3
241.12363	1.1
243.10175	1.3
243.13722	1.0
243.17316	1.1
253.15807	7.9
253.19597	1.3
255.17334	2.0
257.11996	1.3
257.15347	8.6
263.14148	3.7
271.16882	11.4
271.19949	1.3
273.14896	1.7
275.12729	1.0
275.16418	5.5
281.15338	10.0
281.18973	4.3
289.17975	1.1
299.16403	43.3
299.19980	9.2
317.17465	100.0
317.21085	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	317.1741
Annotation	Antrocinnamomin D
Peak:m/z	Relative Intensity
53.00293	0.9
55.05497	1.7
57.07053	1.6
65.51979	0.9
65.86855	0.9
67.05495	3.9
69.07050	4.4
70.13211	1.0
71.04981	0.8
71.08626	1.2
79.05482	5.2
81.07050	17.2
83.04952	1.6
83.08598	2.1
85.06517	1.2
89.05974	1.0
91.05463	3.8
93.07024	25.0
95.08588	14.2
97.06543	1.0
99.07991	1.0
105.07006	14.9
107.08580	13.1
109.06484	9.0
109.10136	12.4
111.08105	3.3
117.06995	4.3
119.08552	12.2
121.06526	1.3
121.10118	18.6
122.08069	0.9
123.08057	1.8
123.11691	4.4
131.08525	13.5
133.10120	18.0
135.08049	9.0
135.08987	1.2
135.11667	30.3
137.09644	1.6
137.86795	0.9
141.07002	1.1
143.08569	9.2
144.09322	1.1
145.06407	1.0
145.10094	20.1
147.08012	15.0
147.11681	10.2
149.09613	5.0
149.13237	1.9
151.07472	1.3
151.11183	1.3
155.08543	4.9
157.10091	10.2
159.08020	5.7
159.11664	16.7
161.09555	5.7
161.13239	4.9
163.11076	9.1
169.10080	9.2
171.11633	7.6
173.09583	19.9
173.13205	9.2
175.11121	1.9
183.11691	16.3
185.09590	1.5
185.13206	7.2
186.10356	1.4
187.11139	18.3
187.14771	4.0
195.11690	1.2
197.13248	10.1
199.14764	4.8
201.12711	13.4
201.16304	10.7
202.13469	18.9
203.10710	1.2
203.14291	1.0
206.37971	1.0
210.13850	1.1
211.14807	7.1
213.12711	2.0
215.14296	1.8
215.17892	19.1
220.29279	0.9
225.16328	23.8
227.17856	1.4
229.15808	43.7
235.14839	1.0
241.15828	1.1
243.13718	3.4
243.17377	55.9
243.21039	5.0
253.15718	8.5
253.19467	19.8
255.21124	1.8
271.16895	31.3
271.20496	23.5
281.19052	5.3
287.20050	1.0
289.17871	25.7
299.19983	25.8
307.23718	0.9
317.17413	100.0
317.21072	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	317.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94804	2.0
57.07058	10.6
69.07066	2.3
71.08612	4.2
81.07039	3.1
82.97572	2.4
85.10172	2.6
95.08603	2.8
95.79770	2.5
109.10137	4.9
133.10075	2.5
134.13364	2.3
147.08003	4.8
147.11665	2.8
147.30789	2.1
155.97136	2.9
159.11667	3.4
236.71506	2.4
255.24976	29.9
257.18713	3.4
299.19678	8.7
317.20859	100.0
317.28662	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	317.2108
Annotation	Triptobenzene M
Peak:m/z	Relative Intensity
53.71997	1.9
55.05509	2.0
67.05492	1.9
67.61400	1.6
69.07056	10.8
77.89788	1.9
79.05491	3.6
79.87177	1.9
81.03427	2.3
81.07058	16.9
83.04977	10.6
83.08607	3.1
91.05466	11.2
93.07044	16.1
95.04948	3.4
95.08592	19.3
97.06515	3.3
97.10104	2.2
105.06995	11.2
107.08587	22.4
109.02855	2.3
109.06489	10.3
109.10164	9.7
111.08086	2.3
114.09136	20.3
117.07030	3.7
119.08563	24.2
121.06486	5.1
121.10130	17.6
123.08089	2.9
123.11696	4.3
129.07010	2.6
131.08578	9.0
133.06531	1.9
133.10132	28.6
135.08052	16.7
135.11676	8.9
137.05981	2.2
137.09639	2.3
143.08580	10.7
145.06494	3.1
145.10110	15.6
147.08046	74.4
147.11676	9.8
149.09583	18.1
149.13280	3.5
151.03897	4.7
155.08493	7.1
157.08649	2.1
157.10126	8.3
159.08043	8.2
159.11690	16.7
161.09612	13.6
161.13217	3.1
163.11156	4.2
163.14810	3.0
169.10139	10.0
171.11714	7.7
173.09630	12.4
173.13226	27.7
175.11156	8.9
177.09114	7.9
181.06471	4.9
181.10130	2.6
183.11696	11.2
185.09590	3.2
185.13261	8.2
187.11217	8.3
187.14861	2.9
189.12813	4.4
191.14296	3.2
195.11690	4.2
196.05223	2.2
196.08850	2.1
197.13261	14.1
199.11238	2.7
199.14809	7.9
200.11948	2.1
201.12756	10.1
203.14250	1.9
206.10953	2.1
211.07552	8.9
211.11261	4.4
211.14838	4.9
213.09076	2.6
213.12703	2.9
213.16325	2.2
215.14308	25.3
221.13315	3.2
227.14262	2.1
234.14067	2.3
235.14774	2.5
239.17947	4.7
253.15872	2.9
253.19537	14.2
257.19061	10.8
263.17914	8.2
271.17746	2.1
271.20468	17.9
281.18958	36.1
299.09238	18.7
299.20059	73.8
317.10129	8.1
317.14456	2.7
317.17532	19.2
317.21100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Microclavatin
Peak:m/z	Relative Intensity
53.92720	0.5
55.05497	0.6
67.05480	0.9
69.07034	0.6
81.07052	5.0
83.08606	3.0
91.05481	1.0
93.07014	0.7
95.08582	3.3
105.07027	5.0
107.08585	1.0
109.10143	5.2
111.08090	4.5
119.08541	2.8
121.10106	0.8
123.11667	2.4
127.07487	0.8
129.06943	1.1
131.08536	2.5
133.10114	6.4
137.09601	6.3
143.08499	4.3
145.10097	3.9
147.08032	26.4
147.09192	1.1
147.11623	1.2
149.05885	0.7
149.09619	0.7
149.13234	0.7
155.08591	4.0
157.10106	6.9
159.08044	0.9
159.11668	1.3
161.13258	2.5
167.08539	19.6
169.10086	2.3
171.11688	7.3
173.09587	4.3
173.13245	2.8
181.10086	0.9
183.08104	0.8
183.11668	2.2
185.09607	3.5
185.13234	1.3
187.11108	2.6
187.14714	0.6
189.12741	2.3
195.11720	0.9
197.09515	0.8
197.13243	13.4
199.14799	3.4
206.10912	0.8
208.52271	0.6
209.13277	0.7
211.14767	2.8
213.12799	2.9
213.16322	1.1
221.13251	3.6
225.16373	1.2
239.14212	1.2
243.13985	0.7
243.21031	2.5
253.19481	3.5
255.21127	4.0
263.17923	0.8
271.20508	2.9
275.16409	13.4
281.18887	1.0
299.20004	7.8
317.21066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2106
Annotation	Cespitularin F
Peak:m/z	Relative Intensity
55.05511	4.9
64.71039	2.0
67.05503	8.3
69.03410	2.1
69.07056	11.6
79.05492	3.1
79.21815	2.0
81.03432	3.2
81.07042	12.3
83.04964	10.4
85.15027	1.9
91.05438	3.9
93.07024	12.5
95.08562	16.9
102.58535	2.2
105.07015	5.1
107.08553	24.3
109.10139	8.8
119.08553	18.5
121.10101	15.2
123.08073	3.0
123.11691	7.7
131.08563	13.6
133.10094	21.7
135.08018	11.7
139.11090	3.4
142.34309	2.1
143.08519	3.0
145.10083	13.5
147.08026	100.0
147.11707	15.7
149.09616	18.5
157.10103	3.3
159.11600	16.4
161.09589	13.3
161.13187	4.1
163.14880	2.8
171.11710	4.2
173.09567	16.0
173.13225	31.6
175.11258	3.4
183.11674	4.8
185.09502	2.1
185.13202	2.9
187.11151	10.2
191.14369	4.4
197.13260	4.1
201.12711	9.4
203.14268	3.4
211.14867	7.4
215.14264	35.1
239.17821	4.2
248.15549	4.1
251.14043	2.6
253.19431	10.3
257.18976	8.0
257.57639	2.2
263.17859	9.1
271.20535	13.9
281.18958	42.1
299.19968	71.9
317.21039	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	317.2105
Annotation	Cespitularin F
Peak:m/z	Relative Intensity
55.05489	1.0
58.38117	0.6
59.04995	0.8
61.73426	0.5
65.56627	0.6
67.05503	1.0
69.03420	1.2
69.07062	1.5
76.73840	0.5
79.05480	1.4
81.03413	0.8
81.07053	5.4
83.04970	7.0
91.05457	2.7
93.07018	3.3
93.94117	0.6
95.08575	5.5
97.47806	0.7
105.07006	3.4
107.08577	7.9
109.06484	1.6
109.10149	3.3
111.08014	0.7
115.85736	0.7
119.08542	10.7
121.10125	6.5
123.08063	3.2
123.11712	1.6
129.06975	0.8
131.08543	7.8
132.05707	0.7
133.10091	10.5
135.08037	12.6
135.11678	1.4
137.09564	1.2
139.11188	1.6
143.08543	3.3
145.10066	4.6
147.08023	23.3
147.11653	7.4
149.09624	4.2
149.13190	2.5
151.11150	1.4
157.10097	4.3
159.08020	1.6
159.11647	10.1
161.09605	3.4
163.11166	2.9
165.12640	0.7
169.10155	3.5
171.11713	5.5
173.09631	4.2
173.13208	26.3
173.67223	0.7
175.11215	1.6
183.11630	7.1
184.12457	0.7
185.13222	3.4
187.11124	4.9
189.12738	0.8
191.14276	3.0
195.11723	1.4
197.09564	0.8
197.13240	3.1
199.11116	1.5
199.14775	1.0
201.12755	2.5
209.13194	0.7
211.11162	1.6
211.14783	4.1
213.12720	1.1
213.16190	1.0
215.14328	4.1
221.13132	1.5
223.14752	1.5
225.12700	2.8
227.14354	1.1
229.15810	3.0
234.14110	1.1
235.14915	1.3
237.16345	0.8
238.17216	0.9
239.14317	1.0
239.17863	4.2
248.15508	3.0
253.15762	0.7
253.19420	5.3
257.18912	6.3
263.17868	4.2
271.20615	0.9
281.18933	31.7
289.75055	0.9
299.19992	100.0
317.21091	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	317.2104
Annotation	Cespitularin F
Peak:m/z	Relative Intensity
55.05503	2.3
67.05494	2.5
69.07047	10.2
70.33601	1.8
71.04974	3.2
79.05467	2.6
81.07028	4.8
83.04960	4.3
83.08581	3.3
91.05464	3.3
93.07008	4.5
95.08572	9.7
97.86143	2.2
102.41855	1.9
105.07001	4.3
107.08546	19.1
109.10146	4.8
110.09277	2.0
110.72546	2.0
119.08557	14.2
121.10068	7.1
126.68077	1.9
131.08556	3.9
133.10103	17.5
135.08014	9.3
135.11668	3.3
139.11249	2.7
145.06340	2.0
145.10115	9.0
147.08014	74.8
147.11674	4.6
149.09572	15.8
156.07655	2.1
157.10133	4.0
159.08028	4.9
159.11639	12.3
161.09576	9.2
161.13147	2.6
163.11079	4.0
169.10162	2.5
171.11542	2.6
173.09569	8.1
173.13234	22.2
175.11130	4.7
183.11580	4.6
185.09509	2.2
185.13110	2.5
187.11134	13.5
197.13286	3.3
201.12729	8.3
203.14230	4.3
211.11443	2.0
215.14227	26.5
221.13271	2.9
239.17868	3.2
253.19524	4.1
257.18918	13.0
263.17886	2.9
271.20523	11.4
281.18906	57.8
299.19983	100.0
317.21063	80.7
317.23950	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	317.2103
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.25571	1.4
66.91537	1.6
67.05499	16.8
69.07041	4.4
78.29362	1.6
79.05472	8.4
81.07044	54.8
83.08593	3.2
84.75446	1.7
87.28356	1.6
91.05442	2.5
93.07021	12.8
95.04946	2.1
95.08581	37.3
105.07006	60.9
107.08566	19.6
109.10137	32.2
117.06972	2.4
119.08536	22.0
121.10143	15.2
121.13457	1.5
123.11684	33.9
131.08508	20.9
133.10095	48.4
135.11673	7.8
137.13255	6.8
142.07634	2.3
143.08560	15.1
145.10091	36.6
147.11650	29.4
149.05959	19.7
149.09581	6.8
149.13222	3.0
155.08546	7.7
157.10088	15.5
159.11646	24.3
161.13210	15.8
162.18111	2.2
163.11127	3.5
163.14740	2.0
169.10095	10.5
171.11589	17.5
173.13191	9.2
175.14807	2.1
177.09109	1.7
178.89320	1.7
183.11681	8.8
185.09694	1.9
185.13229	9.1
187.14775	7.1
189.09039	3.5
189.12761	2.3
191.10609	3.3
197.13165	24.4
199.14804	17.2
201.16270	2.4
205.12146	2.7
207.11707	1.9
209.11723	3.1
211.14853	9.1
213.16275	2.0
215.10672	2.6
217.12146	3.5
225.16382	10.6
229.12167	2.7
243.13625	12.0
243.17435	2.0
243.21017	36.5
253.19467	39.6
255.20966	54.5
257.15256	3.3
259.06232	1.8
271.20511	46.5
281.18918	9.9
299.19992	100.0
317.21054	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	317.2108
Annotation	4beta-Carboxy-19-nortotarol
Peak:m/z	Relative Intensity
50.82315	0.4
52.75888	0.5
54.51732	0.5
55.05502	0.8
60.04520	12.4
61.04853	1.0
61.80530	0.4
67.05494	2.8
69.07054	1.2
72.84140	0.4
79.05489	0.7
81.07048	6.0
85.10205	0.6
93.07019	2.6
95.08590	9.6
105.07030	2.3
107.08597	3.0
109.06502	0.5
109.10143	80.1
119.08584	3.1
121.06496	0.9
121.10149	2.6
133.06439	0.7
133.10103	2.4
135.08006	0.5
135.11667	2.3
145.10100	1.1
147.08023	2.6
147.11690	1.1
149.09576	1.0
149.13254	1.1
157.10141	0.8
159.08084	1.1
159.11685	1.1
161.09605	1.0
161.13248	2.3
171.11690	0.9
173.09636	1.1
173.13263	2.6
175.11270	0.6
187.11192	0.9
187.14807	1.2
189.12720	21.0
191.14236	0.7
197.13295	2.5
201.12715	6.7
203.14294	10.7
211.14711	1.6
215.14302	7.8
225.16313	0.7
229.15887	3.3
229.19498	0.8
243.21017	6.8
253.19484	4.7
271.20520	100.0
281.26532	0.8
299.20010	64.7
305.43228	0.5
317.21124	21.0
317.24997	0.9
317.28687	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	317.2109
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
54.30197	1.0
55.05502	2.4
56.05011	1.7
57.07059	6.2
59.04980	2.0
60.04507	1.6
67.05481	6.4
69.07048	7.1
70.40591	1.1
71.04979	2.1
71.08603	1.9
74.06060	8.7
79.05452	4.6
81.03387	1.4
81.07052	13.9
83.05003	2.4
83.08596	6.1
88.07603	13.8
89.07939	1.9
91.05463	8.2
93.07026	11.3
95.04930	6.9
95.08585	12.3
97.06519	2.6
97.10139	1.6
102.05522	2.0
105.07045	10.5
107.08581	13.7
109.06493	9.9
109.10126	8.1
111.08067	1.4
111.93802	1.3
114.01872	1.1
117.07023	2.7
119.08570	21.4
121.06498	2.2
121.10122	12.4
123.08048	2.9
125.43082	1.4
129.07007	1.5
131.08543	18.3
132.05627	1.6
133.06491	1.6
133.10117	22.3
135.08041	18.7
135.11662	5.1
137.13263	2.6
139.11188	2.3
142.07706	1.2
143.08545	6.7
145.10117	12.8
147.08028	49.6
147.11646	8.8
149.09610	8.3
151.11188	2.1
155.08522	1.6
157.10049	7.0
159.07973	1.3
159.11627	10.8
161.09599	10.1
161.13225	3.1
163.11177	5.6
163.14771	4.7
169.10028	5.2
171.08028	1.5
171.11652	7.1
173.09602	9.3
173.13246	40.0
173.58458	1.3
175.11154	5.5
181.10088	1.6
183.11696	8.3
185.09572	3.1
185.13187	2.5
187.11189	6.1
189.12683	6.9
191.14297	28.2
193.10117	1.7
195.11705	1.4
197.09532	1.9
197.13269	7.4
199.11125	9.6
199.14792	5.3
201.12737	4.7
202.46220	1.3
203.14246	2.8
207.11752	1.8
211.14796	2.4
213.12668	1.6
215.14333	2.8
225.12779	3.1
227.14323	2.4
229.12529	1.5
229.15779	1.5
235.14838	1.3
237.16423	1.6
248.15504	1.7
251.25681	2.3
253.19473	14.3
255.17435	5.1
257.18970	6.0
263.17813	2.3
271.20520	8.3
271.28113	10.6
281.18933	26.2
281.26648	7.4
299.20026	100.0
299.27625	15.3
317.17343	2.7
317.21072	76.7
317.28714	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	317.2106
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.05505	3.4
57.07055	1.8
67.05494	7.3
69.07053	7.9
71.04984	1.5
76.56606	1.4
79.05478	3.9
80.17298	1.6
81.07049	19.5
82.78790	1.5
83.04972	1.9
83.08617	2.6
91.05472	3.7
93.07020	18.3
95.04941	2.6
95.08590	25.6
97.06519	2.6
97.10130	2.8
105.07033	18.2
107.04932	6.3
107.08573	22.9
107.42262	1.7
109.06504	8.2
109.10117	9.2
111.08074	3.3
117.06959	1.9
119.08553	24.1
121.02827	1.8
121.06464	9.6
121.10108	17.1
123.08038	6.7
123.11697	17.1
125.09621	2.9
125.76691	1.6
126.85349	1.7
127.84466	1.8
131.08519	13.1
133.06462	3.8
133.10103	52.6
135.08046	24.1
135.11661	19.0
137.06006	2.1
137.09569	2.1
140.96696	1.8
142.98024	1.5
143.08534	9.8
145.06499	7.5
145.10081	15.8
147.08017	28.2
147.11662	12.5
149.05936	2.4
149.09604	12.0
149.13268	7.0
151.07523	3.8
151.25905	1.8
155.08614	2.5
157.10115	10.1
159.07993	3.9
159.11699	17.4
161.09543	12.2
161.13243	9.5
163.07530	7.1
163.11180	3.8
169.08768	1.9
169.10083	14.6
171.11626	7.2
173.09631	7.9
173.13229	16.8
175.11105	2.5
175.14809	16.2
179.02980	1.7
181.10069	2.0
183.11717	12.3
185.13239	8.9
187.11122	6.8
187.14772	2.9
189.12776	3.4
195.11734	3.1
197.13248	14.6
199.11137	3.1
199.14732	3.9
201.08954	1.8
201.12717	10.0
201.16365	9.9
203.14296	7.1
203.17828	2.5
209.13220	1.8
210.13969	1.8
211.11159	4.0
211.14804	9.7
215.14297	3.6
223.14822	4.0
224.15431	1.8
225.16505	3.1
225.26689	1.8
229.12227	2.5
237.16229	3.5
239.14343	1.7
239.17796	19.2
253.19415	14.3
257.18918	8.4
263.17844	6.9
269.18704	2.0
271.20493	6.5
281.18912	24.1
287.19931	2.4
299.10022	2.1
299.20016	65.4
317.07156	2.3
317.11053	11.6
317.21271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1808
Annotation	H-Leu-Trp-OH
Peak:m/z	Relative Intensity
50.44791	0.4
55.95223	0.4
57.07061	0.7
58.06596	7.2
59.07381	1.0
60.08156	27.0
65.78779	0.4
72.08122	2.8
74.16501	0.4
86.03212	0.5
92.17510	0.8
130.06476	10.8
131.11739	0.7
132.10225	0.5
144.08081	0.7
146.09595	2.1
151.66924	0.5
154.06546	0.9
158.09618	18.8
159.09137	1.9
159.11270	1.8
168.08067	5.3
170.09573	5.1
184.07520	7.5
185.10699	6.0
187.10716	3.1
187.12267	8.2
188.07028	2.0
196.07550	1.1
203.08148	0.7
213.10184	7.2
214.08568	8.5
222.93323	0.5
231.11237	8.6
272.17700	0.7
318.18036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0804
Annotation	Demethylsulochrin
Peak:m/z	Relative Intensity
59.85728	2.3
62.33633	2.2
71.27527	2.2
75.49830	2.8
84.35070	2.7
92.16753	2.6
95.08562	4.3
100.58290	2.5
106.37820	2.9
111.04415	6.5
123.04324	5.2
126.88328	3.1
133.02849	6.2
137.05939	100.0
139.03853	5.4
149.02303	93.8
149.05859	3.7
153.01781	98.7
161.02245	26.7
165.05424	3.1
167.03294	19.1
193.04990	3.2
195.02811	31.2
197.05591	2.8
213.05493	5.7
217.04941	5.3
241.04875	26.9
245.07982	83.9
245.10321	3.9
269.04483	11.8
273.07492	65.3
286.04694	14.6
301.06985	54.9
319.08084	26.3
319.18625	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	319.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30181	2.9
61.02924	3.5
67.05479	2.9
79.05493	7.0
79.56896	3.2
81.07029	25.4
83.08608	4.7
91.05457	5.7
93.07021	23.5
95.04937	5.3
95.08588	30.7
97.06491	3.6
105.06996	22.0
107.08569	18.8
109.06481	3.4
109.10137	18.5
111.04424	5.1
111.08058	21.0
119.08541	20.6
121.06476	3.3
121.10114	21.7
123.04431	5.6
123.11719	3.2
125.05974	3.0
131.08556	14.8
133.02789	7.5
133.10071	25.5
135.08038	6.2
135.11676	12.8
137.05954	90.9
139.03867	4.6
139.11165	3.9
143.08534	14.0
145.10098	31.2
147.08070	4.7
147.11655	13.3
149.02318	61.4
149.13185	4.5
153.01796	100.0
157.10100	16.2
158.24329	3.0
159.11688	12.7
161.02290	21.9
161.09676	3.4
161.13251	3.6
163.11182	4.8
167.03374	26.0
169.10220	3.4
171.11623	7.4
173.13232	7.9
175.11273	4.2
177.12662	4.3
181.10223	3.6
183.11646	12.7
185.13206	13.3
187.06821	3.8
187.14746	4.1
195.02855	43.8
197.13289	4.0
199.14824	5.4
213.05455	12.3
213.16075	3.4
225.16396	6.0
241.04909	23.6
241.16026	5.7
241.19424	7.1
245.08002	52.9
255.21043	5.3
259.20520	5.3
273.07489	38.3
273.22046	3.2
283.20486	21.2
289.21451	3.6
301.07047	17.3
301.18253	6.2
301.21542	33.8
319.08170	31.8
319.15607	4.5
319.18958	17.9
319.22650	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	319.1168
Annotation	Evofolin B
Peak:m/z	Relative Intensity
52.02208	0.4
55.43433	0.4
56.14084	0.4
57.24440	0.5
67.05483	0.6
81.07033	1.0
81.71687	0.4
84.61878	0.4
91.05447	1.1
95.08566	0.6
97.89568	0.5
107.04902	0.6
107.08572	0.8
109.10065	0.8
111.11686	0.6
119.08533	1.1
121.06475	1.9
121.10120	0.7
123.11661	0.6
133.10094	1.0
135.08005	0.6
135.11670	0.5
137.05919	6.7
141.05481	0.9
147.07976	3.2
147.11523	0.4
149.04721	0.9
149.05945	61.5
151.03871	86.0
151.04901	3.1
151.07498	2.3
153.05446	1.1
153.06955	2.9
166.30574	0.4
167.54173	0.5
175.14661	0.5
177.05423	100.0
181.06429	6.9
183.95302	0.5
185.13188	0.5
195.08040	0.9
198.06697	0.6
206.64919	0.4
209.05956	3.7
213.09059	9.7
226.06221	0.6
227.10603	0.5
231.20139	0.5
240.07881	0.7
241.08514	9.4
258.08813	0.5
269.08008	2.1
273.11148	12.8
283.09592	0.7
283.20590	1.9
291.11276	0.6
301.10626	16.0
301.18085	0.8
301.21429	1.1
319.11627	0.8
319.19125	1.1
319.22614	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60405	0.9
55.05508	1.1
56.05025	1.4
56.95724	1.0
60.05666	1.1
65.86614	1.1
70.06577	1.6
72.08155	1.3
78.01043	1.1
79.88837	1.2
85.04026	2.0
87.05593	5.3
95.08630	1.3
101.06067	1.1
109.10126	1.5
111.05558	5.6
113.07149	2.1
127.03861	1.5
130.06537	13.1
132.04456	6.1
132.08110	5.6
138.79672	1.1
140.08192	1.4
144.08156	1.5
146.06049	6.1
150.05518	1.6
159.09215	5.1
169.07657	1.5
170.05997	1.3
171.09161	1.9
175.64685	1.1
187.08710	7.7
188.07042	27.4
199.08615	1.7
199.31424	1.3
205.09741	2.4
216.11359	2.4
230.09235	1.6
231.07617	18.3
233.13872	11.9
239.08176	1.7
243.07729	6.3
244.10840	1.4
259.11874	33.1
260.10248	2.8
267.76172	1.3
277.12927	100.0
284.11359	7.1
285.08875	5.6
301.17834	2.2
302.12460	55.5
319.15164	81.6
319.22696	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	319.1535
Annotation	Zearalenone
Peak:m/z	Relative Intensity
54.89650	1.1
55.05501	2.5
57.07059	3.1
60.63403	1.1
67.05485	3.1
69.03427	1.6
69.07043	7.9
69.24430	1.4
71.04967	1.6
79.05486	2.8
81.07048	8.2
83.04971	2.9
83.08579	2.1
85.06509	2.4
91.05447	7.5
92.17422	1.5
93.07009	14.8
95.04947	2.4
95.08574	9.0
97.06475	1.5
99.04481	1.8
105.03351	2.1
105.07005	14.5
107.04942	11.6
107.07951	1.4
107.08576	12.3
109.06477	3.0
109.10123	12.7
111.08079	2.5
117.07018	2.0
119.08531	17.8
121.06453	8.1
121.10104	14.8
123.08023	2.6
123.11680	8.1
131.08536	71.0
133.10095	17.7
135.08054	10.4
135.11653	8.6
137.05936	2.5
137.09631	2.3
143.08514	14.2
145.10118	21.1
147.08017	19.4
147.11647	8.1
149.05908	3.0
149.09602	2.7
151.03903	3.2
153.05431	9.2
153.08995	1.7
155.08572	1.7
157.10123	9.9
159.08052	7.8
159.11679	8.4
161.09576	15.4
161.13261	3.3
163.11118	2.0
165.05420	3.5
165.09096	7.1
169.10081	3.1
171.08035	2.0
171.11658	7.4
173.09596	6.2
173.13249	8.7
175.07529	13.4
175.11154	6.7
175.14757	15.8
177.05455	1.8
177.09142	1.5
183.11606	3.0
185.09676	2.5
185.13220	15.7
187.07474	3.1
187.11159	5.8
187.14746	15.0
189.08978	10.0
189.12663	5.7
191.10634	2.0
193.08527	6.7
195.11623	2.9
197.13167	2.2
199.11172	5.3
199.14787	2.4
201.12648	1.9
203.10692	2.9
203.14259	14.5
209.13260	3.0
211.14766	2.4
213.12717	13.2
215.06984	2.4
215.14346	1.6
223.14760	1.9
227.14212	5.7
231.13736	41.9
231.17355	2.6
233.07977	15.4
241.12085	1.5
248.53726	1.8
249.11169	8.9
249.14786	42.3
251.09065	2.5
255.13699	2.3
255.17474	2.8
265.19342	2.4
273.11572	1.4
273.14786	13.9
273.18137	3.2
283.17203	3.1
283.20505	17.9
291.15894	14.5
301.14328	8.8
301.17911	10.0
301.21588	15.3
319.15347	100.0
319.18854	18.6
319.22650	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	319.1901
Annotation	CHEBI:85576
Peak:m/z	Relative Intensity
51.42626	2.8
55.05513	2.9
67.05508	4.8
69.03406	4.3
69.07043	3.8
78.51686	3.0
81.07063	15.3
91.05463	8.4
93.07037	14.6
95.08611	15.9
97.06545	5.0
105.07023	18.4
107.08598	14.5
109.06510	5.5
109.10123	5.1
117.52518	3.5
119.08566	13.7
121.10126	13.3
123.08043	27.4
125.05978	13.4
131.08495	6.5
133.10114	18.8
135.08023	8.6
137.05954	8.3
137.09673	4.8
143.08583	12.9
145.10129	14.8
147.07977	5.7
147.11632	6.3
155.08522	14.0
157.10153	6.9
159.08136	5.7
163.11203	5.0
169.10106	6.2
171.11678	13.4
173.13235	5.2
181.10074	12.8
183.11688	19.8
185.13235	6.0
193.12312	4.6
195.11621	25.9
197.13211	18.0
199.14769	3.9
205.46970	3.4
209.13290	8.4
211.14781	19.8
213.09114	3.9
213.12703	5.7
215.14267	3.9
223.14709	5.4
225.16441	7.3
237.16405	20.7
241.15704	5.1
241.71124	3.5
255.17473	19.1
265.15909	4.5
273.18707	4.5
283.17047	15.3
301.17957	18.6
301.21320	6.3
319.15378	8.7
319.19012	100.0
319.22690	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1902
Annotation	6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
55.05511	5.0
57.07093	3.3
67.05483	4.1
69.07042	4.8
71.04971	3.5
74.63072	2.7
79.05500	7.1
81.07060	27.6
83.04953	5.0
83.08643	2.8
83.59956	3.1
85.02898	51.6
85.06506	4.5
85.32951	2.8
91.05466	6.2
93.07031	32.3
95.04945	5.3
95.08591	23.9
97.06529	5.2
99.04454	3.1
101.06019	19.0
105.07036	21.4
105.79405	3.1
107.08597	46.8
109.06521	7.2
109.10160	14.1
111.08060	5.0
117.07004	2.9
119.08562	31.4
121.06454	5.5
121.10110	24.9
123.08028	7.2
123.11713	13.2
125.05965	3.2
131.08548	26.1
133.10129	28.8
133.90730	3.0
135.11705	18.1
137.05983	3.4
137.09595	3.5
141.05510	6.1
143.08560	10.3
145.06435	5.4
145.10152	17.8
147.08018	19.9
147.11710	11.9
155.06082	3.5
155.08539	7.4
157.10135	20.4
159.08028	28.8
159.11650	32.2
161.09596	20.2
161.13298	5.1
162.02003	3.4
163.11165	29.6
169.10149	3.7
171.11679	12.8
173.09625	13.3
173.13231	20.8
175.11172	6.8
175.14798	12.9
181.10065	5.3
183.11699	15.5
185.09581	13.1
185.13222	6.4
187.07568	7.0
187.11143	6.3
187.14787	6.0
189.12642	3.6
195.11630	12.3
197.13274	13.7
199.11180	21.3
199.14786	22.1
201.09082	6.0
201.12743	47.5
203.14275	5.1
213.12738	14.3
213.16318	6.2
215.14279	13.0
217.15886	12.1
219.13791	27.6
225.12718	4.9
227.14240	7.2
227.17934	12.3
231.17574	4.1
235.16985	4.2
241.15877	25.6
243.13727	17.8
255.17441	28.3
255.20978	4.2
259.16891	100.0
261.14752	12.5
271.20676	3.6
283.16940	19.8
283.20532	19.5
301.18018	30.2
301.21634	34.8
319.13373	3.9
319.18921	48.2
319.22620	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1901
Annotation	CHEBI:70568
Peak:m/z	Relative Intensity
51.13379	0.6
55.05490	3.0
57.07076	1.5
59.04990	1.0
66.38714	0.7
67.05492	5.3
69.03413	0.8
69.07048	8.3
69.08289	0.8
70.49936	0.8
70.85874	0.7
79.05504	1.9
81.03419	1.2
81.07061	10.3
83.08601	1.4
91.04920	0.9
91.05471	5.1
91.58450	0.8
93.07027	6.2
95.08562	7.5
97.06499	1.1
100.88686	0.7
105.07049	13.2
107.08595	12.6
109.06515	4.3
109.10129	6.2
115.05322	0.9
117.06976	1.1
119.08567	21.1
119.09359	1.4
121.06474	1.9
121.10126	8.8
123.08059	2.1
123.11680	9.9
129.07056	3.1
131.08554	7.2
133.10138	17.3
135.08041	7.9
135.11684	5.5
137.09625	2.0
137.13280	1.7
143.08540	5.7
145.10107	9.9
145.29077	0.9
147.06892	1.2
147.08031	35.9
147.11679	25.9
149.09549	2.0
149.13162	1.1
151.11174	1.1
157.10091	16.8
159.08028	1.2
159.11615	6.4
161.09601	5.7
161.13263	5.9
163.11192	1.8
165.12744	1.0
169.10104	3.4
171.08147	1.3
171.11644	10.8
173.09566	7.3
173.13281	4.2
175.11192	8.2
175.14790	6.2
179.10661	0.9
181.10136	1.2
183.11734	3.3
185.09647	3.3
185.13184	8.4
186.13924	1.0
187.11142	8.6
187.14688	1.5
189.09105	2.0
189.12746	3.8
189.16348	1.0
195.11697	3.5
197.13249	3.2
199.11166	6.5
199.14775	13.2
200.15533	1.4
201.12767	4.0
203.14342	0.9
211.14838	0.9
213.12732	14.0
213.16205	7.0
214.13528	5.3
215.14201	1.7
217.15904	4.2
227.14340	5.2
227.17886	7.9
229.15811	1.5
231.13841	1.4
231.17395	25.2
237.16370	4.6
245.19000	1.8
255.17400	18.2
257.18851	1.5
271.20496	4.5
273.18439	20.8
283.17221	2.9
283.20581	5.9
301.18030	100.0
301.21616	18.7
319.19037	79.4
319.22510	5.9
342.69183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1898
Annotation	7alpha-Hydroxytestololactone
Peak:m/z	Relative Intensity
53.32864	1.4
54.31232	1.2
55.05498	1.8
57.03441	1.3
67.05484	1.5
69.07053	5.3
79.05457	2.0
81.07037	5.5
83.04973	2.4
83.08617	2.7
90.63612	1.4
91.05463	1.4
92.16959	2.6
93.07011	9.5
95.04923	1.7
95.08575	10.0
97.06500	5.7
99.08071	5.5
105.07018	6.5
107.08551	10.3
109.06486	2.5
109.10139	6.5
111.08047	2.7
119.08571	12.0
121.06481	2.3
121.10093	12.9
123.08041	3.0
123.11706	7.2
125.05968	11.6
125.09593	3.3
129.06944	1.5
131.08562	8.6
133.10115	9.8
135.08029	8.5
135.11644	2.8
137.09608	3.1
137.13370	1.5
143.08559	6.9
145.06458	1.8
145.10075	10.2
147.08018	21.8
147.11649	7.9
149.09584	2.5
157.03653	1.4
157.10057	8.2
159.11632	24.5
161.09579	5.6
161.13242	5.9
163.07408	2.6
163.11153	5.3
171.11653	6.7
173.09550	2.3
173.13248	6.2
175.11166	10.6
175.14867	2.2
179.10811	1.5
183.11664	2.8
185.09610	2.9
185.13240	7.7
187.11212	5.8
187.14795	2.4
189.09070	3.2
189.12695	7.3
191.44916	1.8
195.11650	1.8
195.91893	6.2
197.13220	5.5
199.11234	1.7
199.14760	5.3
201.12674	3.2
201.16383	1.8
203.14296	7.6
209.13332	1.7
211.14859	1.9
213.12834	1.8
213.16335	7.0
217.12152	2.8
223.14714	2.6
225.16306	2.5
227.14223	7.9
231.13821	1.7
231.17433	2.6
237.16327	2.4
241.15755	8.3
241.19550	2.0
245.15216	12.7
254.95825	1.4
255.17386	2.2
259.16891	2.7
265.15897	2.2
265.19562	1.9
273.18488	5.5
283.16879	8.9
283.20502	13.4
301.17966	19.1
301.21570	25.5
319.13467	3.4
319.18964	100.0
319.22635	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	319.1901
Annotation	CHEBI:70568
Peak:m/z	Relative Intensity
50.82755	1.8
51.67527	1.8
55.05507	4.2
57.03430	3.6
57.07070	2.7
57.53616	1.8
59.04994	2.0
65.03915	2.3
67.05496	4.2
69.07052	11.0
74.34626	1.9
74.67630	2.0
78.52174	2.2
79.05493	4.2
81.03417	2.3
81.07047	19.5
83.08585	2.9
85.06537	3.6
86.21185	2.1
86.88593	2.3
91.05453	10.6
92.17401	4.4
93.07031	30.9
94.26118	2.3
95.04949	5.4
95.08581	30.8
99.08090	4.0
105.07031	14.6
107.04914	2.8
107.08573	26.5
109.06522	15.0
109.10151	17.4
111.08069	2.7
119.04966	3.5
119.08537	22.1
119.73125	2.0
121.06479	12.1
121.10126	36.0
123.08087	2.4
123.11678	36.2
131.08585	15.9
133.10118	67.2
135.08025	12.4
135.11673	23.8
137.05986	4.0
137.09602	5.4
137.13306	2.3
143.08553	5.3
145.10115	26.1
147.08028	40.8
147.11658	20.0
148.48817	2.3
149.09616	3.1
149.13240	11.3
151.03920	3.1
151.71844	2.5
153.05531	2.4
157.10091	19.8
159.11676	12.7
161.09605	11.9
163.11180	3.5
165.05453	33.4
171.11678	13.6
173.09601	10.9
173.13206	8.4
175.11148	3.5
175.14839	12.3
177.05434	5.3
177.12721	2.7
181.10060	3.9
183.02960	2.6
183.11670	5.1
185.09598	3.9
185.13210	9.7
187.11169	8.0
189.09135	9.6
189.12794	8.5
191.07095	3.1
191.89662	2.2
193.08578	3.6
195.11728	13.6
197.13332	2.8
199.11223	5.5
199.14761	3.6
201.12683	8.8
207.10100	8.7
209.13326	3.4
211.14754	29.8
213.12665	3.4
217.12189	3.3
227.14388	2.6
227.17960	3.0
227.77116	2.6
229.12242	11.6
231.17430	4.3
237.16438	5.1
241.15846	3.6
247.13284	4.4
255.17368	19.9
265.19455	4.1
273.07452	3.0
273.18439	9.0
283.16910	23.6
283.20587	13.7
301.14420	3.8
301.17941	100.0
301.21570	28.2
319.18982	62.9
319.22617	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	319.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77216	6.3
57.07059	16.4
60.04516	6.3
70.35268	6.1
71.08621	9.3
85.71597	7.7
89.06004	16.6
95.08557	7.7
105.07014	8.1
107.08602	8.9
124.80599	7.3
170.42316	6.9
203.99821	7.2
250.60719	7.7
287.82730	8.1
290.10806	8.8
301.21588	15.5
301.25067	7.3
319.22495	100.0
327.17844	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	319.2266
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05519	5.9
55.70677	3.4
56.89665	3.1
57.70782	3.5
60.04531	6.4
64.31405	3.2
66.73070	3.9
67.05510	3.8
69.03420	3.8
69.07055	9.5
76.45881	3.7
77.82073	3.8
81.07034	9.5
83.04965	8.1
91.05510	4.1
92.17448	5.4
93.07043	18.5
93.82258	3.8
95.04963	8.0
95.08588	19.7
105.06997	7.9
107.08602	27.5
109.06551	7.2
109.10167	21.3
119.08589	7.3
121.10134	33.0
123.11676	16.9
129.63390	4.3
131.08566	9.3
133.10120	31.1
135.11716	9.6
137.09608	16.1
145.10065	7.6
147.08047	10.2
147.11674	21.7
149.09615	83.2
149.13214	5.1
159.11725	8.7
161.09633	4.7
161.13232	8.5
163.11182	9.0
163.14854	4.4
165.12784	5.9
169.10106	5.3
171.11659	7.1
173.13257	27.9
175.11176	17.1
177.05647	4.7
179.88550	4.0
187.11102	4.8
187.14719	5.3
188.09956	4.9
199.14850	7.1
203.14323	5.1
217.15942	24.6
227.14211	4.6
255.21037	8.2
257.26740	6.6
259.20657	17.1
265.19467	9.1
273.22119	10.0
283.20490	59.5
301.21539	100.0
319.19104	8.3
319.22586	84.2
319.30313	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	319.2261
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
53.03940	0.9
54.81750	0.8
55.05499	2.2
57.03434	0.9
57.07065	1.4
59.04979	2.1
67.05477	1.4
68.42772	0.8
69.07048	7.2
71.04977	1.5
73.06512	0.7
79.05484	3.5
81.03388	4.0
81.07038	11.0
83.04945	1.5
83.08598	5.8
85.06525	1.4
85.57754	0.8
87.04460	0.9
91.05453	4.8
93.07028	9.1
95.04974	1.5
95.08588	10.9
97.06491	1.8
97.10120	1.8
99.08042	1.0
105.07021	6.9
107.04990	1.1
107.08566	12.5
109.06480	2.0
109.10132	13.0
111.08025	1.4
111.11676	1.9
114.52781	1.0
117.06968	1.0
119.08567	21.8
121.06445	1.0
121.10134	11.6
123.08047	1.0
123.11686	20.3
129.06921	1.1
131.08533	10.2
132.05731	1.0
133.10086	23.7
135.08022	15.1
135.11685	8.4
137.09563	1.8
137.13213	1.4
139.75888	1.2
143.08572	1.9
145.10071	6.7
147.08022	85.9
147.11739	6.5
147.12691	1.2
149.09604	6.4
149.13205	4.6
155.08531	1.8
157.10104	4.6
159.08018	5.9
159.11653	2.1
161.09557	8.2
161.13223	3.9
163.11188	3.5
169.10072	1.0
171.11682	4.8
173.09564	13.7
173.13290	8.5
175.11174	1.9
175.14792	16.1
183.11691	1.5
185.09583	1.2
185.13188	3.3
187.11159	8.3
187.14809	1.0
189.12698	3.5
191.14313	1.7
195.11713	1.5
197.13147	1.1
199.11122	3.8
199.14766	3.5
201.12772	3.2
201.16307	0.9
203.14355	1.0
211.14792	1.6
213.12691	3.6
213.16255	0.8
223.14720	1.5
225.16310	2.0
227.14246	2.1
229.15910	1.0
239.17859	1.5
241.15710	1.5
243.17393	3.4
265.19421	4.7
271.20508	5.4
278.21979	1.0
283.20496	25.1
301.18124	2.1
301.21506	28.2
319.19202	5.1
319.22583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2262
Annotation	Leucothol A
Peak:m/z	Relative Intensity
54.92735	1.0
55.05496	2.4
55.72057	1.0
57.03436	1.2
67.05482	2.5
69.03428	1.0
69.07052	6.0
79.05462	2.8
81.03401	5.7
81.07036	16.8
83.04955	1.7
83.08599	4.9
85.06530	1.7
91.05454	7.0
93.06998	13.8
95.04925	2.4
95.08572	16.6
97.10145	1.9
105.06997	17.3
107.04956	4.7
107.08564	17.9
109.06509	8.3
109.10132	7.8
111.08086	4.5
117.06977	2.0
119.08554	29.4
121.02844	2.4
121.06405	1.1
121.10101	22.2
123.08015	2.0
123.11673	34.7
125.09558	1.2
128.43907	1.3
129.07062	1.2
131.08530	9.2
133.02856	1.3
133.10098	33.5
135.08025	28.4
135.11673	16.9
137.05946	24.9
137.09596	2.8
139.03812	1.5
143.08554	2.8
145.10115	10.9
147.08003	58.3
147.11659	11.6
149.09604	2.4
149.13193	8.7
153.05460	4.3
155.08443	1.2
157.10078	5.7
159.08008	5.6
159.11678	8.8
161.09537	9.6
161.13220	5.3
163.11098	2.6
165.05428	2.0
169.10080	2.7
171.11618	8.8
173.09653	8.9
173.13203	10.7
175.11206	2.7
175.14786	40.1
177.05396	1.3
181.10075	1.8
183.11647	5.0
185.09613	1.7
185.13208	7.3
187.11118	9.6
187.14734	2.8
189.12701	5.2
195.11705	5.5
197.13257	2.5
199.11165	4.4
199.14798	4.1
201.12672	2.0
201.16240	1.9
209.13251	5.9
210.14090	1.5
211.14679	4.0
213.12688	8.3
213.16280	1.7
214.06093	1.9
223.14783	5.7
224.15419	1.3
227.14279	2.6
229.08496	2.6
229.15822	5.9
237.16180	1.3
239.17950	2.0
241.09892	2.4
241.15646	1.5
241.19487	1.7
245.19075	1.5
255.17313	2.5
255.20961	7.2
263.11542	1.2
265.19489	12.1
274.08481	1.5
283.10602	1.7
283.20477	86.3
289.10565	5.2
291.11267	6.4
301.10574	1.3
301.18329	3.5
301.21552	100.0
302.09845	1.3
308.86310	1.3
319.11105	1.7
319.14828	5.3
319.18979	4.6
319.22534	47.3
330.95215	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	319.2262
Annotation	Leucothol A
Peak:m/z	Relative Intensity
53.96911	1.4
55.05504	2.2
55.75694	1.6
56.96552	2.1
57.03431	1.7
57.71000	1.5
64.19350	1.8
67.05506	7.8
69.07041	9.9
74.67906	1.8
79.05483	2.6
81.03400	3.1
81.07045	18.8
81.50990	1.9
91.05449	9.2
93.07030	15.5
95.04922	2.7
95.08600	17.0
97.10146	3.0
105.07002	22.3
107.08559	22.5
109.06496	9.5
109.10152	15.1
111.08057	3.9
116.98579	2.1
119.08543	37.7
121.10136	24.7
123.08068	3.1
123.11675	32.4
129.06973	4.0
129.43657	2.0
131.08537	12.7
133.10101	41.0
135.08032	24.6
135.11676	13.5
137.09552	4.3
143.08559	10.2
145.10126	14.7
147.08026	56.0
147.11655	35.4
149.09543	7.9
149.13229	11.3
157.10118	16.5
159.08041	3.7
159.11656	15.7
161.09544	10.4
161.13171	6.8
169.10080	8.2
171.11597	16.6
173.09564	12.7
173.13242	10.7
175.11153	8.3
175.14766	27.2
177.12730	3.0
183.11673	4.1
185.09575	4.6
185.13211	11.0
187.11185	13.5
187.14803	2.5
189.12709	7.8
195.11673	9.0
197.13211	2.6
199.11107	11.4
199.14737	15.6
201.12801	2.8
201.16336	3.5
203.14314	3.1
209.13199	2.6
211.14839	4.7
213.12764	14.2
213.16313	4.0
214.13510	2.7
217.15634	2.7
218.97293	2.0
223.14810	2.2
225.16269	3.8
227.14313	2.9
227.17970	9.0
229.15804	8.0
231.17348	19.1
236.98431	8.6
237.16377	2.6
245.18893	3.8
245.79710	2.1
255.17412	13.0
255.21074	4.6
265.19510	11.5
271.20728	2.5
273.18457	15.4
277.98642	4.2
283.17181	4.2
283.20435	56.0
301.17929	76.8
301.21579	68.8
319.10498	100.0
319.14636	10.0
319.18970	66.3
319.22644	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	319.2266
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.50085	1.0
55.05519	2.1
57.03419	1.5
65.64885	1.1
67.05516	2.8
67.79163	1.2
68.62847	1.4
68.74208	1.1
69.07085	5.1
71.42552	1.4
73.24758	1.2
79.05511	2.3
81.03434	2.8
81.07039	14.5
83.08640	3.2
89.05254	1.2
89.97320	1.2
91.05487	5.4
93.07024	9.8
95.08601	18.0
97.10187	1.8
105.07026	22.1
107.08587	13.1
109.06558	8.4
109.10180	8.5
117.07011	1.8
119.08589	27.4
121.06547	1.6
121.10151	25.1
123.11691	30.9
131.08617	8.7
132.05702	1.5
133.10115	37.0
133.11017	2.2
135.08046	33.6
135.11691	19.4
137.09683	1.7
143.08560	5.0
145.10106	10.6
147.08041	60.0
147.09163	2.6
147.11670	13.3
149.13219	13.3
157.10161	2.3
159.08092	5.4
159.11723	8.2
161.09645	8.0
161.13321	6.3
163.11188	3.1
169.10095	2.1
171.11716	8.6
173.09660	10.9
173.13203	9.2
175.11201	2.7
175.14786	44.6
177.12787	1.9
183.11737	2.6
185.09579	2.3
185.13348	7.5
187.11201	6.7
187.14793	5.1
189.12785	7.4
195.11729	2.7
197.13280	5.1
199.11194	5.5
199.14836	6.2
201.12727	1.9
201.16422	2.7
209.13327	7.2
211.14833	2.1
213.12804	9.1
213.16342	1.7
223.14851	6.6
225.16475	2.3
227.14265	2.5
229.15849	5.3
239.17949	3.1
255.17288	1.8
255.21027	10.5
257.80682	1.3
265.19498	17.3
283.20517	96.2
294.79230	1.5
301.21588	100.0
319.22678	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	319.2265
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
60.85830	0.4
67.05491	0.9
67.86629	0.5
69.07069	0.6
76.42566	0.4
79.05507	0.6
81.07051	5.1
91.05463	0.8
92.17321	0.6
93.07032	4.6
95.04962	5.2
95.08606	4.9
97.06557	0.7
105.07018	3.1
107.08607	5.4
109.06496	0.8
109.10143	4.3
112.47038	0.5
119.08565	3.4
121.06460	1.1
121.10125	8.5
123.08028	0.8
123.11690	1.1
131.08525	2.2
133.06490	0.5
133.10107	3.0
135.08043	2.2
135.11700	2.2
142.82965	0.4
143.08585	1.0
145.10092	3.0
147.07988	3.6
147.11633	2.2
149.09578	0.8
149.13220	0.6
151.07549	0.7
157.10100	2.3
159.11652	2.0
161.09595	2.0
161.13220	1.0
163.11180	0.6
169.10133	0.7
169.45726	0.5
171.11665	2.3
173.13214	3.0
175.11169	2.5
175.14757	0.5
183.11702	0.6
185.13214	1.8
187.11198	1.8
187.14792	1.9
189.12721	0.8
195.11664	0.6
197.13191	1.8
199.11057	0.8
199.14761	1.6
201.12704	1.0
203.14278	1.1
209.13222	0.7
211.14864	0.8
213.12735	0.5
213.16257	1.6
215.14262	0.9
223.14809	0.7
225.16422	2.0
227.14214	2.2
227.17963	1.9
231.17436	4.6
237.16319	0.6
241.15732	0.7
243.17458	2.1
243.21111	0.6
253.19530	0.9
255.17372	1.0
255.21077	0.7
257.19009	6.1
265.19446	2.0
271.20477	4.7
280.54767	0.5
283.17291	0.7
283.20529	17.7
301.18161	5.8
301.21570	100.0
319.19128	1.1
319.22556	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	319.2264
Annotation	Leucothol A
Peak:m/z	Relative Intensity
55.01875	2.1
55.05503	4.2
57.07051	2.7
60.62815	2.0
61.65689	2.1
67.05484	8.6
69.03387	3.5
69.07050	10.2
78.87305	2.2
81.03404	4.4
81.07043	17.7
83.04939	2.5
86.09700	17.4
87.10010	4.4
91.05486	4.2
93.07020	14.6
95.04930	2.9
95.08604	17.7
97.06495	8.1
97.10093	3.3
98.70099	2.0
105.07018	26.5
107.04919	3.6
107.08580	19.9
109.06501	13.3
109.10143	11.3
111.08054	3.9
113.05971	2.0
117.07005	3.2
119.08543	43.4
121.06499	4.0
121.10101	26.5
123.08035	8.9
123.11709	25.9
123.73970	2.4
129.06998	2.4
131.08563	12.7
133.06511	2.9
133.10107	38.2
135.08025	32.4
135.11690	20.6
137.05922	2.3
137.09610	4.0
143.08548	10.7
145.10025	16.3
147.08022	58.8
147.11679	17.9
149.09610	4.0
149.13257	14.7
151.03893	4.6
157.10060	15.1
159.07959	2.8
159.11652	10.7
160.09503	2.9
161.09575	8.5
161.13220	8.1
163.11127	5.0
169.10146	4.7
171.11655	14.3
173.09570	10.0
173.13184	4.0
175.11151	2.7
175.14760	33.2
177.05405	3.3
181.10080	12.5
183.11671	11.0
185.09659	2.3
185.13275	10.4
187.11171	11.0
188.07050	9.5
189.07324	5.4
189.12692	3.7
195.11684	13.4
197.13205	12.2
199.11111	4.3
199.14857	3.7
201.12749	4.5
201.16425	2.9
209.13226	9.0
211.14771	5.1
213.12688	12.5
220.14049	2.2
223.14827	10.0
225.16341	3.7
227.14246	8.6
227.17911	4.1
231.78062	2.2
237.16420	12.6
241.15797	3.1
255.17413	10.9
255.20903	5.4
259.16956	2.9
265.19598	17.0
273.03879	3.0
283.17221	4.5
283.20526	89.5
291.15936	3.4
291.19684	2.7
301.17972	17.0
301.21521	100.0
319.15372	4.6
319.18887	52.6
319.22672	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	319.2261
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
50.45509	1.2
55.05498	3.3
59.04998	2.4
63.82246	1.6
67.05490	3.8
69.07044	7.0
81.07046	12.2
83.08605	4.2
91.05463	2.1
93.07023	8.8
95.04935	1.8
95.08595	12.7
97.10125	2.4
105.07010	7.6
107.08567	16.2
109.06512	1.7
109.10136	9.8
111.11710	2.0
119.08547	26.8
121.10091	11.4
123.11676	21.2
131.08536	8.0
133.10109	27.5
135.08002	16.4
135.11620	4.1
137.13248	2.0
140.43076	1.8
145.10112	4.0
147.08022	98.7
147.11629	7.3
149.09590	3.6
157.10139	1.8
159.11557	2.9
161.09567	6.6
163.11145	2.7
171.11615	2.6
173.09518	17.4
173.13237	4.1
175.11180	2.9
175.14819	21.2
183.11633	3.0
185.13252	2.5
187.11180	11.1
187.14812	2.7
189.12642	1.8
195.91826	2.1
197.13249	3.0
199.11246	2.7
201.12686	3.3
205.56735	1.8
213.12634	3.9
213.16365	2.0
227.14362	2.3
243.17426	3.1
265.19424	2.4
271.20544	2.9
283.20435	25.6
301.18481	2.7
301.21582	39.7
319.19153	4.1
319.22592	100.0
319.30432	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	319.2265
Annotation	Leucothol A
Peak:m/z	Relative Intensity
55.05507	1.7
57.07062	1.5
60.21166	0.6
63.06491	0.5
63.06819	0.6
67.05495	1.2
69.03406	1.2
69.07047	1.2
70.06570	1.1
71.08660	0.7
71.97822	0.7
78.78728	0.7
79.05484	1.2
81.07042	1.6
83.04979	8.1
83.08632	1.3
87.97774	0.7
88.07619	2.8
91.05463	1.2
93.07041	3.3
93.76322	0.7
95.08591	6.2
97.06535	1.5
102.09199	1.3
104.48445	0.7
105.07011	3.6
107.08571	5.3
109.06521	2.8
109.10155	5.1
109.66208	0.8
111.08057	5.0
117.07047	0.7
119.08568	4.2
121.10134	13.1
123.11699	1.5
125.09595	2.8
131.08539	5.8
133.10139	12.7
135.08063	0.8
135.11687	3.9
137.09601	13.7
137.13216	0.9
139.11192	1.4
145.10103	2.8
147.08012	0.8
147.11678	12.5
149.09595	22.5
149.13255	4.5
151.11162	1.2
157.10092	2.9
159.11662	9.2
161.09489	1.3
161.13277	1.3
163.11157	6.5
163.14804	0.7
171.11729	5.0
173.13232	32.0
175.11174	7.5
177.12695	1.1
183.11642	1.4
183.13148	0.8
185.13179	5.3
187.11156	1.2
187.14828	1.7
189.12749	3.7
191.14316	4.1
199.11115	1.1
199.14841	2.6
203.14337	3.6
209.13205	1.6
210.09218	0.8
213.12709	1.6
213.16365	2.9
213.24016	1.2
215.14316	1.0
215.17949	0.9
217.15930	3.5
222.13921	0.9
223.14795	2.8
225.16342	2.5
227.14325	1.6
231.17413	4.1
236.15636	3.6
237.16353	3.1
241.19446	6.6
250.17136	2.5
254.16734	0.8
255.20970	8.0
256.26184	1.0
257.26642	10.7
259.20566	5.8
265.19504	8.7
273.22107	1.4
283.20532	32.7
301.21588	100.0
319.22571	17.0
319.30267	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	320.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36469	1.9
53.10677	1.6
53.67879	1.6
59.04977	2.1
75.30582	1.8
81.03396	3.0
81.07024	3.5
83.08578	2.8
91.20387	2.2
92.16837	2.1
93.07033	3.6
94.07372	3.2
95.08577	8.0
95.18011	2.1
96.08945	3.2
105.07007	4.2
106.07352	2.5
107.08568	10.4
108.08921	2.0
109.10120	4.0
110.10464	2.7
119.08533	12.2
120.08850	2.8
121.10098	3.6
122.10416	3.5
123.11672	9.3
124.12013	4.6
132.08871	3.8
133.10077	10.4
134.10442	7.9
134.41466	2.4
135.08046	9.0
135.11624	4.7
136.08316	4.5
144.08928	2.1
147.08040	47.2
148.08360	46.6
150.09755	2.5
160.11940	2.5
173.09554	8.1
173.13391	2.7
174.09938	7.7
174.13533	3.5
175.14796	3.0
176.15128	12.4
186.13510	2.6
187.11131	2.9
188.11473	3.0
190.13036	3.5
196.12099	2.3
200.11493	2.1
200.15134	2.5
200.47852	2.1
202.13042	2.3
214.13008	3.8
228.14578	2.1
238.16498	2.2
240.18233	2.4
244.17754	3.3
266.19812	2.5
272.20926	3.3
284.20892	28.3
300.68088	2.3
302.18298	11.6
302.21902	34.8
320.19305	8.5
320.22900	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	321.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.91859	0.6
63.60532	0.6
67.79767	0.6
69.03413	3.1
70.48100	0.6
72.08126	1.4
81.03412	21.5
85.02857	0.9
89.03910	4.0
92.16805	1.4
97.02892	3.2
99.04445	1.6
106.02914	1.6
109.02843	7.9
109.10183	0.7
117.03355	8.4
127.03957	0.8
145.02826	64.0
146.10518	0.9
149.05945	4.9
176.08971	0.8
177.05434	100.0
178.05620	0.8
195.06516	1.1
291.85138	0.9
321.06024	1.3
321.09607	22.5
321.13193	0.9
321.15988	0.8
321.20483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.5
53.57419	1.7
57.03437	20.4
58.50294	1.6
58.73716	1.7
60.69350	1.7
61.02917	3.4
63.27127	1.8
66.77824	1.8
69.03391	4.2
71.01340	19.9
71.04980	76.8
73.02905	34.9
75.04460	3.9
85.02888	63.3
85.28073	2.3
89.06013	31.0
89.84394	2.1
91.83915	1.9
95.01289	10.7
97.02873	19.5
99.00792	13.7
99.04447	4.0
101.02354	16.1
103.03920	12.6
113.02348	35.4
123.00762	2.6
131.03378	10.8
141.01810	48.7
141.69318	2.4
145.08575	100.0
146.45151	1.9
147.04382	3.7
159.02786	3.8
159.06384	2.9
163.09639	8.3
187.09634	12.4
197.04430	2.7
215.05443	8.0
215.85196	2.4
229.07146	2.6
273.10593	4.1
303.10648	17.9
321.11682	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	321.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82650	0.8
51.23416	0.8
55.05507	0.9
57.80825	0.8
64.11906	1.0
65.99340	0.9
67.05487	1.2
75.68290	0.8
75.78547	0.9
76.21802	1.3
79.05470	1.4
81.07034	1.9
85.06539	1.0
85.18839	0.9
93.07044	1.6
95.08587	4.4
105.07019	2.0
107.04940	12.0
107.08559	4.2
109.10136	4.7
111.08112	1.5
117.07007	1.2
119.04923	1.5
119.08546	1.5
121.06467	1.9
121.10134	4.2
131.08559	1.4
133.10144	2.0
135.07983	2.4
135.11702	1.6
137.09564	1.2
145.02803	2.4
145.10184	1.8
147.04337	1.4
147.11626	2.4
149.09686	1.6
149.18927	1.0
156.08058	2.5
157.10071	1.7
158.05957	1.2
159.08070	1.4
160.07532	2.0
161.09529	1.3
161.13268	1.0
170.05951	2.4
172.07574	4.2
174.09097	7.3
177.05479	1.8
182.05978	7.4
184.07544	40.7
185.13219	3.5
186.07880	2.0
187.08673	12.4
187.11206	1.3
187.14880	1.7
198.05331	1.2
199.08621	13.1
199.14731	1.2
201.06647	10.9
209.07106	4.3
210.05502	5.9
215.14224	2.0
227.08113	100.0
229.15567	1.2
239.17928	1.9
263.09039	2.4
266.11661	2.2
267.17468	1.4
276.10022	5.5
278.11783	6.7
285.18365	2.4
293.12808	9.9
303.15967	1.4
303.19360	6.5
306.78644	1.3
321.09537	1.1
321.12350	17.9
321.16760	4.6
321.20566	11.8
321.24280	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1692
Annotation	Zearalanone
Peak:m/z	Relative Intensity
55.05503	0.8
57.03428	0.5
58.01495	0.5
59.42850	0.5
67.05497	0.7
69.03413	0.5
69.07059	2.1
71.04964	0.5
79.05496	0.7
81.07042	2.5
83.04971	3.3
83.08604	1.0
85.06532	0.6
91.05450	1.9
93.07044	3.9
95.04936	0.7
95.08581	3.3
97.06514	0.7
99.04405	1.2
104.06390	0.5
105.07018	3.5
105.51407	0.5
107.08583	3.1
108.38944	0.5
109.06499	1.2
109.10128	2.2
111.08082	0.5
117.06976	2.6
119.04912	1.0
119.08540	3.3
121.06461	3.1
121.10112	7.8
123.08043	1.1
123.11684	1.0
125.05979	0.8
129.07031	0.9
131.08565	4.1
133.10097	2.9
135.08046	0.9
135.11681	2.1
137.09599	2.1
143.08516	7.6
143.21483	0.6
145.06429	0.7
145.10104	5.8
147.08023	15.2
147.11664	2.1
149.05869	0.7
149.09598	0.8
149.13242	1.0
155.08540	1.0
157.10086	4.7
159.08017	9.2
159.11652	26.0
161.09575	4.1
161.13364	0.5
163.07375	0.6
165.05435	4.3
169.10104	2.4
171.07988	0.8
171.11659	2.7
173.09604	5.3
173.13223	2.9
175.11156	5.2
177.05458	0.7
177.12766	1.2
181.10062	1.1
183.11661	2.9
185.09563	2.5
185.13226	2.4
187.07526	2.7
187.11154	3.8
187.14809	1.0
189.09111	3.0
191.07018	3.0
197.09563	0.8
197.13252	3.1
199.14777	1.1
201.09073	3.0
201.12665	4.3
201.16371	0.7
203.10695	1.3
203.14284	2.3
205.08618	1.0
211.11162	0.9
211.14757	5.2
212.11652	0.6
213.16335	0.8
215.10645	2.2
215.14244	3.4
215.18015	0.6
217.12172	1.3
219.10136	3.4
219.13719	0.9
221.13252	1.2
225.12712	1.2
229.12189	16.3
229.15828	3.1
233.11673	1.2
239.14243	4.7
241.15883	1.0
243.13759	2.7
243.17455	0.8
247.09410	0.7
247.13264	15.1
257.15335	10.3
257.18845	1.1
261.14911	1.2
267.13721	2.1
275.16382	2.2
275.19809	0.7
285.14841	9.9
285.18127	1.0
285.21677	0.7
303.15881	24.0
303.19446	2.7
321.16913	100.0
321.20258	5.3
321.24243	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	321.1696
Annotation	Zearalanone
Peak:m/z	Relative Intensity
54.78178	1.4
56.97146	1.4
57.03419	2.3
64.08070	1.5
67.05509	1.5
71.04996	1.9
71.32590	1.8
80.41378	1.5
81.07050	8.1
83.04964	2.5
93.07020	9.9
95.04942	2.6
95.08609	7.8
99.04452	2.5
105.07029	8.9
107.08583	9.6
109.06506	4.2
109.10163	8.8
116.27359	1.7
119.08582	11.4
121.06458	2.3
121.10127	7.4
123.08100	3.3
123.11735	2.1
125.05976	3.2
131.08604	2.3
133.10117	8.3
135.08061	3.8
135.11707	7.1
137.05986	6.5
137.09680	2.7
143.08577	2.6
145.10136	4.3
147.08051	1.9
147.11676	3.9
149.09561	3.9
157.10126	2.8
159.11720	10.0
160.27966	1.9
161.13283	3.5
163.11154	3.4
169.10156	2.6
171.11713	3.1
173.09636	7.6
173.13222	2.7
175.07707	2.1
175.14819	2.1
177.05516	2.2
177.09103	1.9
177.12730	60.4
183.11694	1.9
187.11160	2.5
187.14842	3.8
189.18428	1.6
191.07108	2.2
193.08650	2.1
197.13203	2.8
205.15886	7.5
211.14680	2.3
214.27498	2.0
215.14401	3.2
215.17892	3.4
233.15382	8.6
257.15433	7.2
257.19147	2.0
275.16391	36.8
285.18652	3.1
285.21899	3.1
303.16138	3.9
303.19553	9.2
303.22900	5.6
321.11133	4.3
321.16977	100.0
321.20468	11.8
321.24213	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	321.2057
Annotation	Monacolin J
Peak:m/z	Relative Intensity
55.05504	1.6
56.05549	1.0
57.07078	1.5
67.05492	2.7
69.03415	1.5
69.07048	8.9
79.05509	1.8
81.07036	8.5
83.04967	2.2
83.08599	2.3
91.05475	2.7
93.07037	10.2
95.08582	14.5
97.06567	1.6
97.10104	1.2
99.13042	1.2
104.71844	1.3
105.07021	11.0
107.08567	12.1
109.06479	2.6
109.10155	11.6
111.08047	2.3
119.08566	6.4
121.10125	24.7
123.11690	13.5
125.09650	2.2
131.08534	5.5
133.10123	21.7
135.07980	2.2
135.11711	11.1
137.09631	10.4
137.13220	2.9
139.11131	2.0
145.10141	7.5
147.11655	24.0
149.09596	35.5
149.13234	7.1
151.11203	2.4
156.88167	1.5
157.10095	2.8
159.11661	21.1
161.09595	1.9
161.13240	5.3
163.11150	3.3
163.14827	2.8
165.12671	2.2
171.11601	5.5
173.09737	1.5
173.13200	11.0
175.11137	9.1
175.14792	11.4
177.12759	2.4
183.11653	2.8
185.13210	1.9
187.11137	6.6
187.14796	7.3
189.12756	5.9
189.16405	1.8
191.10583	1.4
191.14314	2.6
193.12181	1.8
197.13211	4.9
199.14728	1.7
201.12680	6.1
201.16342	18.2
203.14272	2.3
205.15881	2.4
205.19624	1.9
215.14307	16.9
215.17885	10.2
216.15111	2.6
219.17352	2.7
229.15840	5.1
229.19510	7.6
231.17427	1.5
233.18967	26.8
239.17841	4.8
245.19110	1.4
247.20526	1.8
257.19006	24.6
259.20792	1.4
273.22134	6.6
275.20023	17.7
285.18369	6.1
285.22018	5.8
303.19531	100.0
303.23129	21.5
321.20590	77.1
321.24106	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	321.2053
Annotation	Monacolin J
Peak:m/z	Relative Intensity
55.05497	2.4
55.28463	1.2
63.84706	1.1
67.05490	5.5
69.03403	1.8
69.07062	4.8
69.49456	1.1
72.41527	1.1
77.62586	1.3
79.05465	6.0
81.07056	17.7
83.08610	1.6
85.06538	1.7
91.05466	5.5
93.07019	14.4
95.04935	2.9
95.08593	18.3
97.06500	7.4
98.28860	1.2
99.04441	2.1
105.07014	17.7
107.08569	20.8
109.06483	3.0
109.10127	13.5
111.08039	19.6
113.05959	9.7
117.06979	3.3
119.04906	1.8
119.08559	15.3
121.06467	3.1
121.10114	15.0
123.08038	5.1
123.11646	5.8
124.03910	1.5
125.09576	2.7
129.07025	2.1
131.08499	12.2
133.10083	23.2
135.08014	7.4
135.11647	8.1
137.05966	6.3
137.09604	5.4
139.11069	1.5
141.58177	1.4
143.08528	10.9
145.10124	18.2
147.04283	1.8
147.08044	2.7
147.11652	12.2
149.09586	6.0
149.13214	2.8
151.07559	2.4
151.11156	3.0
155.08540	7.6
157.10052	14.3
159.08044	2.7
159.11629	14.0
161.09618	3.1
161.13261	8.2
163.11101	1.9
163.14754	2.2
165.09151	1.8
165.12798	1.5
169.09999	10.1
171.07942	1.9
171.11662	13.6
173.09589	1.9
173.13232	11.7
175.11162	3.1
175.14751	1.4
177.09166	2.0
179.10585	1.8
181.10080	1.4
183.11621	11.7
185.13170	13.2
187.11104	9.9
187.14783	6.5
189.12683	5.3
191.14232	2.9
195.11693	3.1
197.13170	9.8
199.14752	8.0
201.12686	8.3
201.16327	2.4
203.14281	5.0
205.12102	2.0
207.11705	1.7
211.11079	2.7
211.14832	7.0
213.12700	11.6
213.16269	2.8
215.14314	2.6
215.17853	5.7
223.14825	1.7
225.12708	6.1
225.16321	6.2
227.14288	8.8
227.17877	6.9
229.15967	2.9
229.19435	1.5
239.14282	5.7
239.17947	6.2
241.15842	8.1
241.19550	1.8
243.13757	1.9
243.17328	10.9
243.21045	2.0
245.18863	3.4
255.17401	6.6
255.21101	2.9
257.18976	8.2
259.58798	1.7
261.09042	1.5
267.17343	15.6
267.21063	6.1
267.64240	1.7
273.18222	5.0
273.22141	2.7
275.19940	2.7
285.15338	2.5
285.18442	29.4
285.22049	12.3
303.16074	2.3
303.19476	27.3
303.23056	15.4
321.10498	1.7
321.16986	5.7
321.20529	100.0
321.24167	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	321.2058
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
51.30296	1.1
55.05493	1.7
67.05498	4.5
67.54474	1.1
69.03408	2.3
69.07059	6.8
71.04961	1.3
73.63602	1.1
74.06060	2.4
79.05482	2.9
81.07031	10.2
83.04967	5.8
83.08586	2.1
88.71594	1.2
91.05456	2.7
93.07021	10.5
95.04934	2.0
95.08599	13.3
97.06509	2.4
97.10152	2.1
102.48997	1.6
102.85013	1.3
105.07005	8.3
107.07919	1.8
107.08559	16.1
109.06509	12.9
109.10104	11.7
117.07026	1.5
118.93037	1.2
119.08553	13.3
121.06509	13.5
121.10145	13.5
123.08036	2.9
123.11712	2.3
125.09602	1.9
131.08574	10.9
133.06490	1.8
133.10127	19.3
135.08031	18.1
135.11655	6.5
137.05901	1.3
137.09578	3.3
143.08562	5.6
145.10129	11.0
147.08051	14.0
147.11708	11.7
149.09618	15.5
149.13266	2.8
151.07498	6.4
151.11159	2.1
155.08481	2.0
157.10086	8.1
159.08002	2.5
159.11702	19.0
161.09512	3.1
161.13171	1.7
163.11166	2.8
165.09067	3.3
169.10124	6.6
171.11664	13.2
173.09778	3.8
173.13220	31.4
175.11191	6.0
176.46654	1.4
177.12735	2.2
183.11661	13.2
185.13213	7.5
187.11115	2.6
187.14758	2.9
191.14244	1.9
197.09515	1.3
197.13222	8.1
199.11195	2.5
199.14784	14.9
201.12759	2.8
201.16315	1.7
209.13200	1.9
211.11313	1.4
211.14827	5.0
213.16380	1.7
215.14343	5.8
215.17966	2.6
219.13776	6.1
222.13873	1.6
223.14865	2.0
225.12790	2.0
225.16354	8.8
229.15881	7.3
229.19345	1.7
233.15373	1.6
234.13913	1.4
237.16315	2.4
239.14233	1.7
239.17883	13.5
241.15935	2.4
243.17351	7.0
244.62007	1.3
247.16751	5.6
249.16254	5.9
255.17390	1.9
257.18958	8.1
261.18408	7.0
267.17471	13.7
275.20096	1.6
285.18439	40.0
287.24677	1.5
303.19482	100.0
321.16779	9.9
321.20499	81.3
321.24106	6.0
321.28110	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2053
Annotation	(plusmn)alpha-CMBHC
Peak:m/z	Relative Intensity
55.05497	11.2
64.33716	4.4
66.93211	4.1
67.05499	8.2
69.07050	12.2
74.66764	4.7
76.98492	5.0
81.07054	35.7
83.08578	10.1
91.05429	6.5
93.07010	25.6
94.99586	5.0
95.08035	4.5
95.08569	40.2
97.06505	5.3
97.57095	4.9
98.12722	4.5
105.07015	28.2
107.08540	39.0
109.10128	30.2
117.06978	5.1
118.82847	5.7
119.08541	24.4
121.06421	6.3
121.10127	41.5
122.72041	4.9
123.07993	4.9
123.11671	11.2
125.09566	6.1
129.06934	6.8
131.08517	26.8
133.10089	25.1
135.11670	26.2
137.09535	5.8
143.08560	29.5
145.10072	45.4
147.11650	31.8
149.13216	7.5
150.75554	5.5
153.09096	8.4
157.10043	36.0
159.11607	36.3
161.09584	7.0
161.13210	11.0
163.11136	8.0
169.10127	5.7
171.11650	8.9
173.09567	6.7
173.11917	5.7
173.13156	42.4
183.11607	10.3
187.14723	6.7
189.12727	10.8
189.16406	7.1
191.14243	6.5
197.13213	19.4
199.14856	9.8
201.12639	7.1
201.16281	9.7
205.12088	6.8
215.14320	21.3
229.15860	8.1
229.19426	23.8
239.17825	8.6
247.20442	6.4
257.18900	33.0
257.22925	6.7
261.18268	5.5
267.20639	5.7
275.20001	59.4
285.18414	19.1
285.21729	5.8
303.19458	100.0
303.22775	11.9
321.20499	45.5
321.23846	16.0
337.54636	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2053
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
50.74244	2.2
55.05493	4.5
67.05469	3.7
69.07063	4.4
79.05504	3.3
80.77498	2.4
81.07047	22.1
83.04955	3.5
93.07002	16.5
95.08585	25.4
95.09088	2.4
97.06511	5.5
99.04454	3.2
99.08048	4.5
103.82183	2.7
104.78976	2.9
105.07018	13.5
107.08585	21.7
109.06480	4.4
109.10109	12.2
111.08021	3.8
117.06973	4.5
117.51080	2.6
119.08555	17.4
121.06493	3.6
121.10109	22.6
123.08033	18.0
123.11671	12.4
131.08545	12.1
133.10115	17.5
135.11678	12.0
137.09592	12.5
141.09116	3.5
143.08530	6.6
145.10097	18.1
147.08029	4.4
147.11655	21.0
149.09573	5.7
149.13197	5.8
157.10059	11.2
159.11679	19.2
161.13248	6.5
163.11208	3.0
165.09142	3.1
169.10036	3.9
171.11600	11.8
173.09579	4.1
173.13222	5.6
175.14769	13.9
183.11694	10.8
185.13214	12.2
187.14761	30.8
189.12683	3.9
197.13243	5.9
201.12706	4.5
203.14223	5.6
205.15736	3.9
213.16359	2.9
215.14343	5.4
215.17873	4.1
223.14635	3.0
225.16284	4.5
229.15817	11.4
229.19455	4.4
239.17912	5.2
241.15839	5.2
243.17473	11.8
247.16853	14.7
257.18915	12.0
259.16718	4.2
275.19952	6.1
285.18414	36.2
285.21661	9.8
303.19470	49.7
303.22986	11.0
321.11435	3.3
321.16797	6.0
321.20511	100.0
321.24200	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	321.2414
Annotation	Cleospinol B
Peak:m/z	Relative Intensity
57.03391	1.5
57.07057	2.4
57.26380	1.4
67.05494	2.6
69.07047	3.1
70.06574	2.4
70.80038	1.6
79.05471	2.6
81.07037	8.8
83.04948	2.7
83.08614	6.2
88.07601	4.1
89.07917	2.7
91.05465	1.7
93.07011	9.9
95.08618	13.1
96.75230	1.5
97.10128	1.6
103.09489	1.9
105.07001	7.0
105.09882	1.5
107.08570	10.4
109.06498	3.1
109.10121	13.1
111.08041	6.5
119.08556	8.4
121.10108	31.1
123.11678	25.2
125.09593	2.5
127.95383	1.6
131.08501	3.2
133.10117	35.9
135.11676	16.2
137.09592	11.2
137.13228	3.8
139.11171	1.8
145.10057	3.0
147.08095	1.9
147.11647	13.3
149.09572	47.1
149.13196	7.8
151.11156	3.9
159.11610	6.2
161.09532	3.7
161.13174	3.0
163.11172	3.7
163.14859	1.8
165.12669	2.9
169.84877	1.6
171.11658	2.4
173.09546	2.1
173.13234	6.5
175.11195	6.8
175.14760	40.8
177.12715	3.0
183.11574	1.7
185.13277	2.1
187.14850	2.0
189.12718	6.9
191.14375	1.8
197.13202	2.3
201.16269	3.7
203.17947	2.2
211.14690	2.8
213.16345	2.2
215.14386	2.3
229.15781	2.5
231.17375	2.6
239.17841	2.1
257.22672	7.9
257.26578	17.1
258.27014	8.5
259.27124	26.2
265.13156	1.7
267.21054	14.1
285.22025	56.3
303.19574	3.5
303.23090	100.0
321.20804	2.8
321.24261	60.2
321.30743	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	321.2418
Annotation	1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol
Peak:m/z	Relative Intensity
51.45194	2.0
57.49152	2.1
63.78576	1.7
69.07037	1.9
81.07053	9.6
83.08604	4.4
92.16858	3.2
93.07011	5.4
95.08592	12.5
97.10152	2.7
100.67802	2.1
105.07024	12.4
107.08576	12.0
109.06460	4.6
109.10132	11.7
111.08053	9.7
119.08551	5.1
121.10106	27.6
123.11676	33.0
125.09585	3.6
133.10092	35.7
135.11636	9.5
137.09590	28.3
138.08223	2.2
147.11653	8.9
149.09604	45.9
149.13245	9.1
159.11684	5.0
161.09515	2.4
161.13213	9.8
163.11143	4.3
165.12733	3.5
171.11630	2.9
173.13246	12.5
175.11108	3.3
175.14769	33.9
183.11665	2.3
185.13107	3.5
187.14760	5.4
189.12730	4.8
191.14345	9.7
197.13284	4.8
198.73138	2.5
201.12790	4.3
211.14917	3.2
213.16353	4.2
215.14189	2.6
225.16333	9.1
227.17842	3.2
231.17572	3.9
257.22632	12.3
264.15408	2.5
267.21011	18.1
285.22049	81.3
303.23102	100.0
321.24146	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	321.2423
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
50.36666	2.1
51.03245	2.2
55.15200	2.0
57.07072	2.2
66.22965	2.2
66.55119	2.3
67.05501	2.2
69.07055	2.3
71.08646	3.5
80.93688	2.4
81.07050	11.3
83.75678	2.5
95.08617	9.5
107.08585	4.5
108.08609	2.3
109.06531	5.3
109.10094	3.6
121.10128	4.8
123.08056	23.9
167.14278	2.8
179.14297	100.0
265.17969	11.9
303.23264	3.7
321.24200	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2004
Annotation	omega-Hydroxycapsaicin
Peak:m/z	Relative Intensity
51.75646	0.8
56.33950	0.9
67.05515	1.1
69.07057	1.8
81.07048	2.1
93.07048	1.5
107.08587	1.2
109.10142	4.9
123.11683	6.8
125.06005	1.9
133.10045	1.4
135.11723	1.4
137.05956	50.3
138.02954	1.8
138.06308	1.4
152.07060	1.9
153.05434	100.0
170.15372	5.3
186.15010	3.4
189.31165	1.1
223.17140	1.2
322.20135	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	322.2735
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05498	0.7
57.07061	0.8
60.04524	1.0
60.69351	0.6
62.06087	100.0
67.05498	9.5
69.07047	3.5
69.61177	0.6
71.08628	0.8
79.05460	5.3
81.06587	0.7
81.07050	15.6
81.24104	0.6
83.08582	2.5
91.05454	2.9
93.07030	11.7
95.08588	13.2
97.10167	0.7
101.28245	0.8
105.07013	1.5
107.08589	7.1
109.10169	6.3
112.78155	0.6
117.06969	0.8
119.08567	1.2
121.10146	7.6
121.72321	0.7
129.61089	0.7
131.08551	3.1
133.10133	1.2
135.11674	5.7
145.10071	3.1
147.11630	0.9
149.13194	2.8
159.11685	1.5
163.14742	1.1
172.13303	1.1
173.13219	1.7
177.16412	1.6
187.14720	0.8
243.21086	4.2
261.22128	4.3
304.26245	2.7
305.24667	0.9
322.27380	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	322.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.1
60.12856	1.5
60.29879	1.3
62.06080	100.0
67.05507	12.2
69.07029	2.4
79.05467	6.4
81.07050	16.6
82.69395	1.7
83.08593	3.4
91.05466	2.3
93.07012	11.4
95.08588	10.9
97.10126	2.4
106.82085	1.5
107.08585	7.2
109.10137	7.3
121.10080	6.5
127.60526	1.6
133.10059	2.1
135.11670	3.4
147.11569	2.0
149.69470	1.8
159.04128	1.5
179.15785	1.8
213.02388	1.7
304.26486	1.9
322.27347	22.2
322.74118	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	322.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31416	2.8
55.05501	5.5
57.07085	2.8
59.06112	4.0
69.07048	12.5
71.08636	25.4
81.07040	12.7
83.08607	5.8
93.07038	5.3
95.08594	21.5
97.10171	5.8
99.08048	6.1
99.09264	3.4
107.08575	6.3
109.07661	4.0
109.10152	5.2
112.08698	3.9
119.97020	3.3
121.10159	5.7
126.10310	3.4
149.13286	3.7
151.11185	4.9
152.11722	3.4
165.12720	17.1
218.89519	3.8
224.20139	4.4
249.26369	3.1
250.54889	3.9
263.23535	3.3
291.23117	23.5
291.72101	3.5
322.23975	6.7
322.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60298	1.0
72.84796	1.0
85.83096	1.0
86.72519	1.2
108.48941	1.1
144.97728	1.1
163.47394	1.3
166.16937	1.0
223.21841	1.2
291.53433	1.2
323.07288	100.0
342.17358	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	323.091
Annotation	Vulpinic acid
Peak:m/z	Relative Intensity
68.15752	1.4
85.06487	1.4
91.14628	1.7
93.07020	2.1
109.10125	2.5
109.97185	1.5
121.10081	1.9
137.05940	1.7
159.07961	1.9
191.08513	3.1
194.26337	1.8
207.08061	9.1
208.08820	6.6
210.13705	1.6
218.07353	2.7
219.08035	23.3
231.07933	3.0
234.06630	3.3
235.07460	28.9
236.08353	11.9
240.07716	2.3
247.07454	28.3
248.08246	2.4
249.09138	2.3
250.06332	2.9
251.10849	2.2
253.08566	2.3
257.12607	2.1
261.09100	2.7
262.06128	13.1
263.06955	15.6
264.07861	21.9
265.08575	10.1
277.08536	41.7
279.10123	7.6
291.06543	10.5
295.09607	7.8
323.09119	100.0
323.12326	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	323.0909
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
69.07066	2.1
81.07037	2.4
87.47575	1.1
93.07051	1.7
95.08574	2.8
97.06519	1.3
97.10166	1.2
99.08073	1.1
105.07031	1.4
107.08590	1.6
109.06472	1.1
109.10145	2.5
119.08559	1.5
121.10117	1.4
133.10106	1.3
135.11674	1.4
137.06007	1.7
147.07991	1.3
149.13274	1.4
161.05943	6.6
191.08525	1.8
204.12726	1.1
207.08070	9.9
208.08743	5.5
218.07167	2.3
219.08028	20.2
220.08842	1.4
221.06110	1.2
221.09575	1.4
223.11194	1.3
231.08090	2.8
233.05901	5.8
233.53598	1.4
234.06818	5.2
235.07495	33.0
236.08308	10.1
240.07744	1.5
246.06665	2.1
247.07465	25.3
248.08275	2.6
249.05380	5.3
249.09166	2.2
250.05977	2.3
251.10519	1.3
253.08562	1.5
261.09109	2.8
262.06232	15.4
263.07004	24.7
263.10049	2.3
263.10480	2.0
264.07764	21.4
265.08533	11.2
267.10205	4.8
276.07751	2.1
277.08521	45.4
279.10098	6.0
280.07266	2.1
291.06525	8.5
291.10190	6.1
295.09592	5.6
304.80014	1.2
305.08017	2.4
305.24670	2.2
323.09088	100.0
323.12390	4.7
339.41568	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	323.0912
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
69.07011	0.6
70.04054	0.8
76.04897	0.5
80.83148	0.6
81.07063	1.1
93.07020	1.0
95.08597	1.2
105.06989	0.8
107.08630	0.9
109.06496	0.6
109.10137	1.3
117.07004	0.7
161.13400	0.8
179.08592	0.8
191.08562	3.5
195.08063	0.8
207.08003	9.5
208.08784	8.2
218.07195	3.9
219.08025	22.6
219.10078	1.2
220.08708	0.7
221.06000	2.7
221.09610	1.0
223.07715	0.9
223.11188	3.2
233.05885	5.7
234.06805	4.0
235.07504	29.2
236.08252	9.9
240.07758	1.4
242.17911	0.6
245.05881	1.3
246.06752	1.4
247.07518	25.5
248.08260	1.4
249.05359	4.6
249.09056	3.1
250.06273	3.3
251.06931	1.0
251.10645	1.2
252.07730	1.1
253.08513	4.1
261.09045	3.0
262.06219	12.2
263.07001	20.0
263.09827	1.3
264.07758	19.8
265.08591	11.3
267.10132	3.8
273.05441	0.9
277.08557	43.8
278.09412	2.9
279.10138	7.4
280.07333	1.6
290.05737	0.8
291.06467	10.2
295.09570	7.4
305.08261	2.3
310.70908	0.7
323.09116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1122
Annotation	Luisol A
Peak:m/z	Relative Intensity
53.03947	0.3
55.05511	7.7
67.14520	0.2
70.05201	0.2
71.74124	0.2
73.06533	1.3
74.79633	0.2
79.55420	0.2
81.07008	0.2
85.06494	0.2
95.04966	0.2
105.07012	0.2
106.36750	0.2
107.08594	0.3
108.24277	0.2
108.71752	0.2
109.06545	0.2
109.10104	0.3
114.09149	0.2
133.10103	0.4
136.42647	0.2
137.05986	0.4
138.89362	0.2
147.11739	0.2
149.09514	0.2
157.10060	0.3
161.05927	0.4
177.05464	1.3
205.04927	2.9
208.03651	0.2
218.02084	7.9
233.04410	100.0
258.93710	0.2
287.09134	0.9
287.16257	0.2
287.19559	0.2
305.10147	42.0
323.07419	0.4
323.11200	11.9
323.18488	0.7
323.21942	0.4
341.41986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1118
Annotation	Luisol A
Peak:m/z	Relative Intensity
53.56558	0.2
55.05256	0.5
55.05499	7.3
55.66122	0.3
61.83775	0.3
69.07047	1.3
71.04991	0.3
73.06538	1.2
79.05455	0.3
81.07026	1.2
83.04929	0.3
83.08606	0.4
85.06547	0.3
91.05428	0.3
93.07005	1.1
95.08590	1.9
97.06546	0.3
105.07008	2.1
107.08565	2.1
109.06474	1.4
109.10108	1.5
117.06986	0.3
119.08544	2.3
121.06437	0.4
121.10120	1.2
123.08022	0.5
123.11639	0.6
125.09528	0.4
131.08528	1.6
133.10072	2.3
135.07997	1.6
135.11697	0.4
137.05948	3.1
137.09578	1.2
139.07494	0.5
143.08513	2.9
145.10072	1.7
147.08011	0.5
147.11662	2.4
149.09587	0.6
151.07510	0.4
151.11090	0.4
155.08351	0.3
157.10042	2.0
159.11655	1.6
161.05940	1.9
161.09645	0.6
161.13182	0.4
163.11191	0.4
165.09012	0.3
167.10590	0.3
171.11650	1.9
173.09601	0.4
173.13129	0.6
175.07471	0.3
175.11122	1.3
175.14786	0.6
177.05414	1.1
180.58281	0.3
185.09576	0.3
185.13188	2.6
187.11217	0.6
189.09038	0.4
189.12737	0.3
189.16405	0.4
193.08603	0.4
197.13202	0.7
199.07605	0.5
199.11089	0.3
199.14772	1.2
203.10522	0.3
203.14352	0.7
205.04901	2.2
213.12790	0.3
213.16318	2.2
217.12178	1.0
217.15826	1.2
218.02020	7.6
219.13800	0.3
223.14806	1.5
231.07837	0.9
231.13741	2.1
231.17395	1.3
233.04372	100.0
235.16803	1.2
241.15746	3.3
249.14742	2.5
259.07477	1.1
259.16919	3.1
263.10641	0.6
269.15225	1.1
276.07773	0.4
277.17892	0.7
287.08926	0.4
287.16296	1.8
290.10178	0.4
291.09988	2.1
305.10107	40.5
305.17352	9.5
305.20694	0.7
323.11142	11.1
323.18396	17.3
323.21667	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	323.1272
Annotation	4'-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.38435	1.8
57.87378	1.6
59.39096	1.7
61.65151	1.7
66.11206	1.5
69.07052	2.6
70.17161	1.9
81.07042	3.9
95.08611	2.5
97.56478	1.9
105.06994	10.5
112.20734	1.9
115.05477	2.3
119.08533	2.6
133.06458	10.6
137.05956	25.6
137.41658	2.0
146.40790	2.3
161.04674	2.8
161.05959	82.4
167.04932	2.1
171.07956	2.3
199.07475	12.6
202.07707	2.4
202.43169	1.7
203.08623	17.3
220.08792	3.7
231.07980	56.7
232.08727	7.7
235.11133	3.0
241.06464	2.1
247.07524	4.2
248.08290	20.4
258.06628	4.0
259.07498	52.2
260.08295	46.0
262.09937	2.1
263.10599	25.5
275.58408	1.9
276.07761	31.6
277.08600	3.8
279.10220	2.3
291.10120	100.0
293.07983	2.7
308.10394	7.8
323.09201	3.4
323.12698	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1274
Annotation	4'-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.67600	2.7
84.16245	3.3
105.07037	6.0
112.64644	3.2
119.47891	3.1
133.06508	5.6
137.05965	28.8
142.81366	2.8
146.03668	3.9
146.15396	3.7
157.03362	3.3
161.05934	73.5
199.07530	6.2
202.07933	3.8
203.08540	14.7
219.07916	4.7
231.07982	53.7
232.08841	4.2
235.07555	5.4
247.07507	6.8
248.08292	17.1
259.07483	42.8
260.08255	39.7
263.07413	2.9
263.10730	32.2
264.07974	3.8
275.07181	3.5
276.07825	25.4
277.08459	14.1
281.71487	3.5
288.73621	3.3
291.10101	100.0
291.13141	6.0
292.10922	5.6
308.10498	4.3
323.09085	23.3
323.12744	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	323.1275
Annotation	4'-Deoxyterphenyllin
Peak:m/z	Relative Intensity
59.04991	1.6
67.05487	2.4
67.49141	1.2
69.07034	1.4
79.05497	1.7
81.07050	5.9
93.07042	3.1
95.08588	1.6
105.07024	6.2
106.57244	1.4
107.08608	2.3
109.10154	1.6
111.08044	1.2
119.08574	2.2
121.10107	1.7
130.06441	4.8
133.06502	10.8
133.10135	1.9
135.08040	1.8
137.05962	25.0
145.10089	1.4
146.03629	1.4
149.05965	1.6
161.05954	62.5
161.09521	1.5
166.32480	1.3
171.08014	1.9
193.06541	1.5
199.07478	13.8
202.07828	2.1
203.08658	11.0
219.08012	5.4
220.08839	6.2
231.08018	45.3
232.08838	6.3
235.07726	2.8
236.08308	2.8
245.09673	3.0
247.07510	9.1
248.08347	17.1
259.07513	32.9
260.08322	30.0
262.06253	2.1
262.09821	1.8
263.07764	2.2
263.10605	27.2
264.07742	2.4
265.08508	2.1
276.07770	20.2
277.08624	11.0
291.10120	100.0
291.77020	1.4
292.10889	5.2
293.08087	1.7
305.17441	1.7
308.10242	3.3
316.30542	1.4
323.09067	18.2
323.12756	73.4
323.18250	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	323.1271
Annotation	4'-Deoxyterphenyllin
Peak:m/z	Relative Intensity
54.50076	2.4
56.48522	2.2
69.07031	1.9
71.55463	2.4
74.18674	2.5
79.05481	2.8
81.07036	9.5
84.05598	2.7
87.12902	2.3
93.07008	3.4
94.89274	2.3
95.08569	9.6
97.10197	2.3
105.07007	8.6
107.08537	5.7
109.10150	4.1
111.04408	2.2
119.08508	2.1
121.10073	2.9
123.11720	5.0
125.05965	3.0
133.06435	9.9
133.10060	4.1
135.11664	3.3
137.05965	14.5
141.21306	2.5
145.10149	3.2
161.05925	61.2
181.12207	2.7
199.07562	11.7
203.08569	17.8
219.08025	3.6
231.07983	48.5
232.08748	2.8
234.06541	2.5
234.38771	2.1
235.07500	5.2
247.07416	8.9
248.08211	14.8
259.07498	36.8
260.08279	29.1
263.10559	28.8
264.08038	3.5
265.08710	3.0
266.24683	2.4
276.07767	23.2
277.08508	12.5
291.10068	100.0
292.10764	3.0
305.24628	5.1
308.10278	3.2
323.08948	19.4
323.12717	66.7
323.18225	9.0
323.25439	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	323.1275
Annotation	4'-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.25278	0.7
51.41807	1.0
51.67952	0.8
65.38223	0.9
79.14816	0.9
93.07005	1.4
93.25179	0.9
95.32012	0.9
105.07014	7.8
109.06508	2.2
109.10096	1.4
115.05451	2.3
133.06483	7.2
137.05959	62.3
145.10094	1.4
146.03592	3.9
161.05943	83.1
165.09010	0.9
167.04900	1.4
176.43826	0.9
177.05513	1.1
199.07526	10.9
202.07642	3.8
202.70271	0.9
203.08525	14.8
215.08548	1.1
219.08121	1.2
220.08815	4.7
231.08002	43.5
232.08771	6.6
235.11128	1.8
248.08296	15.0
258.06552	1.1
259.07477	39.4
260.08304	26.2
261.09006	1.0
262.09833	2.0
263.10626	33.1
264.11514	1.3
273.09097	1.1
275.06805	2.0
276.07706	26.5
277.08545	6.1
290.09311	1.5
291.10110	76.6
292.10837	6.3
293.08084	5.4
295.13229	1.9
308.10376	10.3
323.12704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1845
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
55.05505	2.1
67.05485	2.3
69.07043	4.3
80.28971	1.9
81.07034	2.7
87.59923	1.9
93.07011	4.2
95.04990	2.7
95.08602	8.3
103.15314	2.2
105.07029	4.4
107.08594	4.4
109.10132	3.6
114.09196	6.8
119.08577	4.3
121.10106	8.6
135.08002	2.2
135.11691	4.3
137.05981	4.1
143.08528	4.2
145.10120	11.2
147.04442	4.6
147.08066	4.4
147.11685	2.3
152.67291	2.4
155.08604	2.6
157.10013	18.7
159.11575	7.4
161.06041	3.5
161.09563	2.6
161.13239	9.6
171.11687	9.0
175.11110	5.4
185.13153	3.7
197.13239	11.8
199.14786	28.5
213.16313	9.7
217.04869	2.4
217.15799	5.0
223.14771	5.3
231.17288	2.6
241.15799	3.5
245.04471	10.0
259.16852	20.1
263.05478	18.0
277.07040	13.6
277.17825	15.9
287.16647	3.3
291.04916	8.9
305.06613	3.5
305.17398	5.4
323.07565	26.7
323.12759	5.4
323.18442	100.0
323.21982	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	323.1844
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
51.54239	1.0
51.81102	1.0
52.61536	1.2
55.05494	4.6
56.96563	2.7
67.86356	1.3
69.07053	2.0
79.05482	1.4
83.08565	1.4
84.63190	1.2
88.69492	1.4
93.07027	3.0
94.17687	1.1
95.04933	1.8
95.08581	6.1
98.96907	1.4
98.97561	41.3
98.98171	2.4
105.07014	5.8
105.08445	1.1
107.04919	1.6
107.08574	4.8
109.06534	1.6
109.10140	2.2
116.97787	1.6
116.98604	44.2
117.06936	1.7
119.08549	5.2
121.06498	1.5
121.10122	1.7
123.07997	1.6
123.11689	1.7
129.07016	1.6
131.08562	1.4
133.10098	5.9
134.99651	22.9
135.08049	2.1
135.11693	2.2
137.05939	5.4
140.00027	1.5
143.08534	7.1
145.10162	4.5
147.08081	1.8
147.11682	7.2
149.09636	2.4
153.00653	1.5
157.10115	5.2
159.11682	5.7
161.05939	2.2
161.09599	2.2
165.09155	1.4
171.11674	5.7
173.13193	1.7
185.13190	6.3
187.11092	1.8
193.08545	1.5
199.14766	4.8
203.14310	7.0
207.10004	1.5
211.14735	1.8
213.12717	1.9
213.16335	2.7
217.12224	2.7
217.15823	1.2
221.11835	1.5
231.13785	2.8
233.04341	14.2
233.11777	1.7
240.98634	5.5
241.15814	1.9
245.15317	1.9
249.14732	12.9
258.99698	66.0
259.07379	1.2
259.16843	6.1
274.21277	1.4
277.00766	100.0
277.17770	1.8
282.01419	2.0
287.16376	5.1
291.10245	2.7
300.02304	2.7
305.10153	7.4
305.17465	24.1
305.20779	2.3
323.09045	2.1
323.12772	3.1
323.18399	48.2
323.21799	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	323.2214
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
51.38954	1.2
52.94910	1.1
53.56264	1.0
53.76136	1.1
55.05507	2.0
66.56459	1.0
67.05497	1.7
69.03413	1.7
69.07059	5.5
71.04993	1.5
79.05480	3.0
81.07056	12.6
83.04967	2.5
83.08608	8.3
85.06546	1.3
91.05489	1.5
93.07022	10.9
95.04981	2.4
95.08594	20.5
97.10158	2.3
105.07030	17.5
107.08595	20.0
108.80568	1.3
109.06496	19.9
109.10140	11.6
111.08055	4.8
112.53007	1.1
119.08572	13.5
121.06493	11.3
121.10153	19.3
123.08042	5.7
123.11687	24.0
125.09641	1.6
129.08080	1.1
131.08531	6.4
133.06468	9.6
133.10123	53.2
135.07178	1.3
135.08026	10.5
135.11687	13.9
137.05954	2.6
137.09665	2.6
137.95934	1.2
139.07555	3.1
143.08546	2.2
145.10091	9.3
147.08034	6.9
147.11685	15.9
149.09587	6.2
149.13237	9.3
151.07523	16.9
151.11082	1.5
155.08585	1.9
157.10086	9.2
159.11656	14.7
161.09552	8.2
161.13252	9.3
163.11241	2.2
165.09105	2.6
167.10570	1.4
169.10118	5.7
171.08072	1.2
171.11673	14.7
173.09578	5.0
173.13239	12.0
175.11192	5.1
175.14787	33.4
177.12579	4.2
181.10095	1.9
183.11688	5.1
185.09576	2.2
185.13264	11.6
186.10474	1.2
187.11148	1.8
187.14803	2.4
189.12733	2.1
193.12274	7.0
195.11766	1.9
197.13338	5.0
199.11131	8.6
199.14867	6.2
201.12764	6.2
201.16362	3.0
209.13213	5.5
211.14799	5.0
213.12680	5.2
213.16283	2.0
215.14272	2.9
223.14613	1.2
225.16364	2.6
227.14293	2.2
227.17853	9.1
233.15329	1.5
239.17944	3.0
241.19426	19.7
251.17914	14.8
257.18991	1.6
259.20465	3.0
269.18991	27.2
269.99597	1.3
287.20007	100.0
291.10150	1.7
305.21066	85.0
323.12695	2.5
323.18576	4.5
323.22104	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	323.221
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
56.65631	1.4
67.05486	7.5
69.07049	1.9
79.05491	2.6
81.07034	10.3
86.80508	1.7
93.07014	9.7
95.08583	11.0
105.06992	3.7
107.08571	10.6
109.10143	8.5
111.08060	3.9
119.08537	3.8
121.06464	6.6
121.10135	12.4
123.08035	8.7
131.08517	2.8
133.10123	7.0
135.07997	19.4
135.11597	2.6
137.05939	2.9
137.09573	7.9
139.07504	3.1
139.11086	2.8
143.08487	1.6
145.10123	3.1
147.08047	2.8
147.11632	2.3
149.09557	24.3
149.13130	1.6
157.10104	2.6
159.11641	6.8
161.09549	14.8
163.11075	11.8
169.10002	1.9
173.09642	2.6
175.11089	6.8
176.50853	1.6
185.09560	2.1
185.13176	2.2
187.11095	6.1
189.12617	2.4
199.11177	2.1
199.14725	2.5
201.12617	3.6
213.12659	9.2
213.16176	2.0
215.14194	2.0
227.14262	6.8
227.17899	2.6
229.15874	2.9
239.88402	1.8
243.17285	3.1
251.17871	2.5
257.18793	2.8
269.18927	15.3
287.16977	2.9
287.20007	24.2
305.17737	2.4
305.20996	18.4
323.12735	2.2
323.18829	3.4
323.22076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2211
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
51.87756	1.5
55.05493	1.8
58.96291	1.6
60.89969	1.7
65.76144	1.6
67.05490	4.2
69.07023	2.4
79.05460	2.0
81.07042	14.1
88.19205	1.7
93.07011	9.5
95.08591	16.9
97.06469	3.0
105.06979	13.0
106.02893	12.3
107.08562	11.2
107.94025	2.0
109.06474	2.7
109.10134	96.4
119.08545	11.5
121.06441	9.8
121.10099	10.7
123.07985	2.4
124.03896	15.1
131.08501	9.8
133.06453	3.3
133.10088	9.1
135.08023	3.3
135.11620	3.0
137.05968	18.4
137.09598	4.0
143.07254	2.1
143.08563	2.5
145.10040	13.3
147.07980	3.8
149.09578	4.3
149.13152	1.8
157.10063	8.7
159.07973	3.9
159.11649	9.2
161.05910	24.0
161.09557	10.9
169.10052	3.8
171.11624	9.9
173.09608	7.1
173.13203	3.4
175.11139	4.0
175.14832	2.5
178.29330	1.8
179.10559	2.0
183.11630	3.5
185.09557	2.4
185.13243	10.0
187.11151	12.7
189.12642	8.3
195.11661	4.5
197.13135	2.8
199.11133	4.0
199.14732	8.3
201.12753	2.8
201.16312	2.9
203.08508	3.3
205.12189	10.4
209.13171	9.2
211.14793	3.6
213.12720	7.9
213.16292	2.6
215.14272	2.9
223.13184	10.5
225.16322	2.8
227.14320	3.8
227.17880	26.8
231.08061	13.1
235.07362	2.9
239.17859	4.4
241.15720	2.8
241.19383	3.3
243.17326	4.3
245.18921	3.7
248.08301	2.6
251.17819	9.6
257.19009	6.9
259.07489	11.2
259.20508	3.3
260.08212	3.5
263.07065	4.0
263.10599	6.9
268.07816	2.0
269.18826	21.4
276.07770	3.8
287.09235	2.8
287.19937	28.3
291.10144	19.2
305.10190	4.3
305.13690	2.1
305.17670	2.8
305.21005	56.4
308.06586	3.2
316.52560	2.0
323.09259	4.8
323.12305	18.4
323.18600	6.2
323.22079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1465
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
54.98882	1.5
57.07056	8.2
57.21255	1.4
59.04980	10.9
61.64556	1.7
65.17326	1.7
69.07055	3.1
70.04061	100.0
71.08585	1.8
80.64513	1.9
81.07016	2.0
97.10127	2.3
99.08015	2.1
112.32152	1.8
122.33768	1.8
135.51491	2.0
140.99109	4.2
141.00952	3.2
151.03062	3.6
165.04659	2.4
168.11295	9.7
191.24382	1.7
220.08389	4.1
235.07327	2.0
236.07729	2.4
237.08546	2.3
247.06952	2.4
248.07793	4.1
248.42757	2.0
255.09535	3.8
263.06662	2.1
264.07254	2.7
265.08090	4.3
266.08951	4.2
278.08984	8.7
307.24829	2.8
324.09418	18.7
324.14926	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	324.147
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
52.86420	0.2
55.05519	2.3
55.73764	0.3
57.07074	8.0
69.07069	1.8
70.04072	100.0
79.05502	0.3
81.07072	1.8
93.07056	1.2
97.10167	2.1
99.08083	5.0
107.08609	1.8
110.07183	1.2
113.01558	0.4
125.01532	27.4
139.03087	9.0
141.00990	3.7
149.01604	0.7
150.10249	7.4
151.03084	9.8
153.04660	0.7
162.15323	0.3
163.03107	3.9
165.04698	2.8
168.11307	14.4
176.89983	0.3
177.04649	4.9
179.06194	1.2
191.06198	0.8
198.33870	0.3
207.09409	0.6
219.09340	5.0
278.08926	0.3
288.09381	0.4
288.10205	0.4
288.12604	17.7
306.13644	6.2
324.14719	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	324.1473
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
50.99770	0.2
52.30933	0.2
55.05499	0.2
57.07080	0.6
59.09148	0.2
59.89586	0.2
66.15493	0.2
69.07066	0.5
70.04076	100.0
78.58230	0.3
81.07064	0.6
86.03549	11.8
86.09705	4.6
91.05472	0.4
91.70831	0.2
93.07043	0.5
107.08559	0.4
109.06568	0.3
121.10133	0.3
124.38197	0.3
125.01544	5.7
132.10188	0.5
133.10129	1.1
139.03105	1.6
147.11650	0.4
151.03069	3.2
151.11223	3.2
153.04652	0.2
163.03130	1.2
163.15039	0.2
165.04648	1.4
174.31563	0.2
177.04611	0.3
179.06221	3.3
181.04150	2.1
193.12366	0.2
228.24388	0.3
236.07813	0.3
260.39240	0.2
278.21121	1.0
292.10431	0.3
306.20618	0.4
324.14728	41.2
324.21240	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	324.2891
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.22474	0.9
55.05495	2.4
57.07063	1.4
62.06082	100.0
67.05504	13.3
69.07049	2.8
79.05465	2.2
80.61240	1.2
81.07050	13.2
83.08605	2.4
91.05505	1.1
93.07008	1.9
95.08594	13.1
107.08578	2.0
109.10134	2.5
143.64250	1.2
158.96861	1.4
306.27853	4.9
307.26364	2.0
324.28885	38.1
332.18555	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	324.2892
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
54.57496	5.4
55.05495	14.5
57.07058	10.5
57.38972	6.3
61.93876	6.2
62.06073	40.4
65.76190	6.4
67.05503	11.4
68.35723	8.1
69.07056	43.2
70.06571	8.4
71.05022	6.5
71.08611	28.9
71.96624	5.6
74.44022	6.1
77.81378	5.9
79.05467	9.1
81.07035	30.1
82.96312	9.1
83.08604	26.0
85.10152	12.4
93.07031	17.1
95.08611	29.3
97.10149	8.1
107.08583	16.3
109.10134	13.2
111.04410	76.6
111.11722	11.3
121.10123	29.8
135.11632	9.9
136.02016	6.7
136.03000	7.7
149.13300	12.8
167.55331	7.9
181.12125	7.4
265.25253	7.8
283.26202	7.6
318.88000	7.7
324.28931	100.0
335.03854	8.0
345.89230	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	324.3257
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
50.80859	0.4
51.46165	0.4
55.05493	1.1
57.07075	4.0
69.07061	3.6
71.08607	2.9
81.07039	2.1
81.36742	0.5
83.08590	2.4
85.10155	2.5
86.09200	0.7
86.09695	14.3
93.07014	1.0
95.08583	1.2
97.10175	1.7
107.08588	0.9
109.10131	0.8
111.08039	0.5
116.78348	0.5
121.10134	0.9
125.13173	0.5
135.11699	0.6
149.13213	0.8
163.14713	0.6
216.98059	0.6
218.49327	0.5
247.24187	1.3
265.25204	2.9
283.26346	3.0
324.32565	100.0
337.68472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.01
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84730	0.2
69.82834	0.2
78.95253	1.4
85.00340	0.2
89.83108	0.2
92.46458	0.3
98.97572	1.1
116.98603	1.4
119.01903	1.5
134.99641	0.9
140.94360	0.2
142.03479	0.3
144.32458	0.3
160.04576	0.2
165.99564	0.2
174.04262	0.3
177.00951	1.3
208.44826	0.2
219.01974	5.8
221.01784	1.0
225.00674	1.9
226.24365	0.2
239.97458	1.0
240.95361	0.3
241.95502	0.3
242.96034	1.8
243.01930	10.6
245.01894	0.3
256.94995	0.3
256.98221	0.3
257.98532	2.2
258.96442	0.4
258.99933	0.8
259.96588	1.1
260.04590	4.9
261.03018	100.0
263.03415	0.4
264.98752	0.3
265.02631	0.2
277.00980	1.2
278.92630	0.3
279.00424	2.0
282.96490	1.3
282.99924	16.6
283.96530	6.8
284.00064	2.2
284.04654	4.5
300.97586	1.5
301.00986	20.6
301.94339	0.4
301.97626	6.6
302.01230	2.9
302.05661	25.7
319.01987	0.5
324.02515	0.3
325.01483	1.4
325.07034	0.4
343.02087	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	325.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17337	0.1
55.09361	0.1
78.95271	1.7
87.93919	0.1
96.96307	0.2
98.97564	1.7
116.98569	1.6
119.01874	0.8
134.99623	0.7
137.02953	0.3
139.69415	0.1
177.00858	1.3
183.01201	0.2
183.51950	0.2
201.00922	0.3
217.04071	0.2
219.01962	5.2
221.01762	0.3
225.00697	2.1
234.99878	0.2
239.97527	0.4
240.95464	0.2
241.95396	0.3
242.03529	0.3
243.01906	10.5
256.98288	0.2
257.98529	2.2
258.96399	0.6
258.99878	1.6
259.96597	1.3
259.99142	0.2
260.00195	0.2
260.04568	4.4
261.02994	100.0
263.03369	0.3
264.98807	0.8
265.03116	0.2
265.95328	0.3
268.99460	0.2
275.04639	0.2
277.00919	1.5
279.00485	2.1
282.96494	1.5
282.99918	17.8
283.96506	7.0
283.99982	2.3
284.04559	5.7
298.96054	0.2
300.97501	1.8
301.00961	24.1
301.94055	0.3
301.97562	7.1
302.01215	2.4
302.05640	27.0
306.98001	0.4
307.01147	0.7
319.02118	1.2
324.02551	0.2
324.94638	0.2
325.01968	4.5
325.07278	1.1
342.95325	0.6
343.02032	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	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.01678	0.4
54.30577	0.4
55.09505	0.5
57.03422	0.5
74.33831	0.5
76.07811	0.5
82.36758	0.5
83.04956	0.5
85.02876	4.3
86.67167	0.5
88.68159	0.5
97.02877	3.6
97.17514	0.6
104.62025	0.6
109.02862	0.9
117.03384	0.7
127.03885	2.8
135.04425	3.5
145.02802	4.1
163.03880	100.0
181.04987	0.9
204.78702	0.6
217.36124	0.6
255.65649	0.6
325.09100	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	325.1062
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
55.01859	4.0
57.07050	3.8
69.03420	2.3
69.07046	2.9
81.07035	3.4
83.08580	3.1
85.02863	5.3
91.05437	4.1
93.06998	2.9
95.04910	3.7
95.08556	5.3
95.52801	2.0
97.06499	2.4
107.08582	4.0
109.06490	3.7
111.08044	2.1
119.08535	4.3
123.08029	4.0
127.03889	3.0
133.02835	9.6
133.10155	3.2
135.07877	2.5
137.05923	33.6
147.04378	5.3
147.07980	2.2
149.05997	5.0
149.09521	2.9
150.06677	2.9
151.03815	2.6
151.07526	2.8
159.11710	3.9
163.03818	12.2
166.00351	2.2
171.11621	2.4
173.05859	8.1
175.03893	3.8
175.07480	2.3
186.03070	14.3
194.07216	3.1
201.05363	27.8
205.06374	23.9
219.07956	3.4
221.05942	4.0
222.06735	8.6
233.05890	35.0
234.06683	3.2
235.04962	2.7
237.09007	26.0
247.07483	5.5
250.06160	24.7
261.05380	4.1
261.18179	3.4
264.07767	9.3
265.08539	40.6
267.06540	2.7
278.05621	15.7
279.09982	4.1
282.08752	5.4
284.29257	17.6
289.17847	11.8
292.07220	33.8
293.07983	43.7
295.05789	4.5
297.11194	11.6
307.09589	50.6
307.18909	4.6
310.08221	3.1
325.10611	100.0
325.19556	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	325.139
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.21663	0.1
53.03939	0.8
55.01873	2.0
57.03436	2.9
57.07075	0.2
57.67051	0.1
59.04990	0.2
59.25620	0.1
61.02920	0.9
69.03423	16.8
69.07043	0.2
71.01333	1.0
71.04985	6.2
73.02905	1.2
75.04462	0.2
81.03413	15.8
81.07040	0.2
85.02890	2.8
87.04425	0.3
88.07618	0.3
97.02876	0.8
99.04441	8.4
101.02331	0.2
102.09158	0.2
102.21840	0.2
107.08510	0.2
109.02881	0.2
117.05477	1.9
118.06533	0.4
127.03931	1.9
130.91919	0.2
135.08064	0.4
135.44122	0.1
144.17644	0.2
145.04950	1.4
145.07581	1.0
145.23573	0.2
147.09116	2.6
162.07816	0.4
163.03877	1.9
163.08650	0.8
163.10017	0.2
167.06764	0.2
173.07083	3.4
175.07114	0.3
175.08623	7.9
187.08736	0.2
191.08128	100.0
205.09666	0.9
215.11794	0.7
227.06267	0.2
231.11302	0.3
233.09160	1.6
243.11299	0.2
245.09135	0.3
271.10754	0.4
275.93518	0.2
281.99249	0.2
284.29459	4.1
289.11731	1.0
307.12817	18.8
325.13870	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	325.2732
Annotation	15-HEDE
Peak:m/z	Relative Intensity
54.77543	2.9
55.05509	18.3
57.07067	24.5
67.05491	15.6
68.09742	3.2
69.03394	5.2
69.07053	33.8
70.10741	3.2
71.08620	15.8
76.86357	3.5
81.07045	22.2
83.08599	26.1
93.07032	20.4
95.08572	33.5
97.10163	18.8
101.24189	4.0
101.50614	3.8
107.08582	22.6
109.10146	24.4
111.04429	100.0
113.05991	6.2
121.06422	3.9
121.10134	15.6
123.11735	5.6
131.08609	4.9
135.11671	9.2
145.10062	4.7
167.10625	8.7
202.51602	3.3
209.15320	5.4
223.16887	8.8
237.18387	7.9
237.76941	4.1
245.36980	3.6
251.20033	15.8
284.29428	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19884	6.1
53.49764	5.7
55.05496	15.0
57.07072	100.0
58.76175	7.9
66.37489	6.7
69.07053	51.6
71.08615	76.0
81.07023	28.4
83.08591	36.0
85.10154	40.6
93.07027	9.3
95.08582	13.8
97.06513	14.4
97.10139	28.2
107.08589	15.3
109.10137	9.7
111.08066	10.7
113.13214	8.5
119.66647	7.9
121.10097	11.9
135.11641	11.1
149.13184	8.9
225.03987	7.0
284.29410	30.0
325.29068	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	326.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.06807	0.6
57.07065	6.5
61.10293	0.3
64.11980	0.3
64.85280	0.3
69.07056	1.2
70.04062	100.0
71.04376	1.1
95.08616	0.4
97.10172	2.1
99.08067	1.8
107.08581	0.3
127.01211	3.4
141.02760	1.8
143.00706	3.7
153.02765	4.1
165.02722	0.4
167.04341	3.3
168.11237	0.7
181.05936	0.7
199.04720	0.3
209.09138	0.4
221.09171	0.4
237.70160	0.3
272.52747	0.3
285.22131	0.5
290.12180	1.2
326.14380	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	326.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10264	0.2
70.23330	0.2
77.70198	0.2
88.36044	0.3
97.10081	0.3
132.09799	0.3
133.27942	0.3
137.00797	2.5
139.02428	0.5
151.14853	0.3
153.00298	15.9
155.01855	20.5
156.99759	0.3
165.29752	0.2
171.01346	100.0
172.99301	0.4
173.01765	0.6
178.03452	0.5
194.02922	2.6
219.08650	2.0
221.10188	5.0
237.09665	19.7
258.54605	0.3
285.17029	3.0
285.22177	0.3
303.17981	38.9
308.34937	0.3
326.19443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.2
57.07056	2.7
65.93954	2.5
67.05487	12.9
69.07059	25.5
78.27167	2.9
79.05473	12.3
81.07047	100.0
88.02196	4.5
92.31997	3.2
93.07018	21.9
95.08583	56.9
105.07014	7.0
107.08566	19.1
109.10147	30.0
113.88879	3.5
119.08547	4.8
121.10155	26.1
122.02699	24.8
123.08012	4.8
123.11666	20.7
131.08537	3.9
135.08098	5.1
135.11678	13.9
137.13187	4.7
145.10146	6.3
147.11656	8.0
149.13205	20.6
157.10045	4.1
169.10092	3.8
175.14783	6.0
183.11623	4.6
190.59047	2.9
197.13243	3.6
199.14809	5.0
201.16353	5.4
205.19540	5.7
211.14734	12.6
225.16289	4.6
229.15958	5.4
257.22699	7.3
267.17389	3.0
267.18298	3.4
267.20972	35.0
285.18521	16.3
285.22003	85.3
326.24744	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	326.3051
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05486	0.4
57.06803	0.9
57.07074	13.3
59.77927	0.4
61.11810	0.4
67.05508	2.1
69.07060	2.2
70.06236	0.8
70.06588	17.3
71.08627	8.4
81.07037	3.7
83.08614	2.2
85.10175	7.1
88.07622	100.0
93.07016	0.5
95.08595	4.7
97.10157	1.0
109.10156	2.7
110.07163	0.9
127.16039	0.5
141.50012	0.4
151.53955	0.5
237.71976	0.5
285.29831	4.9
326.18362	0.9
326.30499	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	326.3049
Annotation	Oleoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05507	2.5
57.07061	1.4
62.06082	100.0
67.05473	2.1
67.57916	0.9
69.07072	7.6
81.07043	4.0
83.08601	7.0
88.01816	1.0
93.06998	1.2
95.08586	5.2
95.87972	1.1
95.98639	1.0
97.10147	1.9
116.98590	1.0
121.10114	4.6
135.11687	2.2
271.82632	1.5
297.17963	1.2
308.29395	4.2
309.27780	4.7
326.30457	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35252	0.8
57.07066	1.7
69.07045	1.1
70.06580	100.0
71.04977	4.6
71.08601	3.7
72.42377	0.8
81.07045	0.9
83.08611	0.9
88.07610	5.9
95.08582	1.5
97.10136	0.9
109.07683	1.0
118.58636	1.0
148.69107	1.0
160.90276	0.8
170.88202	1.1
171.01326	6.2
285.29590	1.0
326.26947	2.0
326.30472	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	327.107
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
50.72209	0.2
51.27803	0.2
51.39352	0.2
59.51838	0.2
65.03912	0.3
69.03420	1.0
81.03413	2.0
85.02895	1.8
89.06021	5.5
91.02415	0.2
91.05450	1.5
98.98391	0.4
109.02844	1.0
110.13423	0.2
119.04923	8.7
127.03898	0.4
130.04922	0.3
133.08582	2.0
134.76698	0.3
147.04385	100.0
165.05429	2.6
182.04916	2.2
208.02827	2.0
233.64682	0.2
291.08444	1.7
309.09720	3.2
309.13309	0.3
327.08963	0.4
327.20029	1.6
347.06659	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	327.1223
Annotation	Pongamone E
Peak:m/z	Relative Intensity
55.01873	23.1
65.03919	4.5
69.07047	1.6
74.29111	1.6
76.03557	1.7
79.05471	1.7
81.07050	3.9
83.62390	1.7
91.05437	8.4
93.03377	8.8
93.06994	2.5
95.04947	7.9
98.98441	4.4
103.05443	2.7
107.04949	19.2
109.06498	3.8
111.04432	24.0
115.05427	11.0
119.04878	2.9
119.08546	3.2
121.02817	3.5
121.06489	7.5
122.03632	4.5
123.04400	9.3
123.80573	2.2
124.43829	1.9
125.05981	20.3
131.04897	8.7
133.06483	2.3
137.05959	100.0
143.04906	20.4
145.02821	2.1
145.06485	4.1
147.04353	10.3
147.07997	3.6
148.95409	1.9
149.05954	10.1
150.06725	2.5
151.03874	11.5
153.05435	13.5
160.05157	7.9
161.20125	2.0
163.07484	2.3
171.04384	9.6
175.07506	35.1
177.05411	12.0
179.08498	8.4
189.05460	2.6
189.06982	3.8
191.07030	3.2
199.63919	2.2
203.06990	23.4
205.06540	2.5
206.07242	7.7
207.08026	16.8
217.06459	15.8
219.07982	7.1
221.09639	2.8
223.07431	2.7
234.06715	16.5
235.07477	16.2
237.09064	10.8
239.10686	4.0
245.05836	6.8
249.09065	28.6
251.06941	3.0
252.07732	3.1
262.06271	16.6
263.06891	3.8
265.08536	11.5
266.09290	8.9
267.10132	15.5
268.07266	2.4
277.08542	50.1
278.09320	4.2
279.06412	8.3
283.09616	4.4
294.08771	21.7
295.09546	6.7
297.11108	10.4
299.12881	2.3
309.11099	43.4
327.12183	92.2
338.67996	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1224
Annotation	Egonol
Peak:m/z	Relative Intensity
55.01877	38.2
55.05503	6.5
57.07066	5.3
57.87049	3.5
61.36740	3.8
67.05501	6.4
73.64433	4.5
79.05473	7.5
80.46807	3.2
81.07050	20.9
85.06551	5.5
89.06023	6.9
91.05467	3.8
93.07027	15.1
95.04961	20.0
95.08598	18.4
97.06516	6.1
98.98454	24.1
105.07016	6.1
107.04943	78.0
107.08582	4.5
109.10172	4.6
119.08574	8.5
121.02885	4.8
121.06440	4.8
121.10128	6.1
123.04431	22.0
123.08064	21.5
127.07478	3.6
128.93027	3.9
131.04922	69.1
133.06490	4.3
133.10103	4.3
135.04366	8.7
137.05966	41.3
145.06473	4.4
147.07982	5.2
147.11708	5.8
149.05984	4.1
149.09608	4.5
151.03897	7.2
159.04411	6.1
161.06033	6.6
163.07562	6.6
171.11716	5.5
174.06630	4.2
175.07520	18.1
177.05472	9.1
179.07042	4.3
202.07784	7.1
203.06900	8.7
203.08649	8.3
207.08150	5.2
219.08026	12.9
221.09590	14.1
231.07997	55.1
234.06712	5.8
235.07468	14.1
237.09116	9.1
247.07570	20.8
248.08292	22.8
249.09073	25.7
251.06999	4.2
258.06842	3.8
259.07443	33.2
260.08374	15.3
261.09308	4.0
264.07788	4.2
265.08557	9.1
276.07794	19.4
277.08606	25.4
278.09210	5.2
279.10074	19.3
291.10117	100.0
291.19312	31.4
294.08722	6.5
297.11243	25.3
309.11176	57.6
309.20490	16.1
327.11758	36.9
327.21567	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	327.1222
Annotation	1-O-Methylglobuxanthone
Peak:m/z	Relative Intensity
53.12286	2.2
57.25589	2.2
59.94396	2.1
67.05489	3.0
68.31021	2.2
69.07046	2.5
73.43118	2.2
81.07037	12.2
89.06032	2.8
91.05447	4.9
93.07025	4.0
95.04980	3.6
95.08582	4.5
97.06503	3.1
97.10159	3.0
98.98483	8.7
99.04499	2.8
102.77922	2.5
105.07047	4.9
106.94197	2.3
107.04948	11.1
107.08579	5.6
109.06505	3.7
109.10137	3.5
119.08604	4.7
121.06491	4.3
123.08006	4.1
131.08574	3.2
133.06454	3.2
133.10086	3.4
137.05986	30.3
147.11732	3.2
149.09587	3.7
151.03874	65.8
151.04973	4.4
161.05940	5.1
161.09477	2.6
179.08478	3.5
179.10776	2.5
206.07355	2.8
207.08025	3.7
217.06477	3.3
219.08057	3.5
221.09596	5.2
223.07596	5.1
227.17802	2.6
234.06656	8.8
235.07481	5.4
238.97191	2.7
244.94835	4.1
247.07507	3.6
249.09149	18.3
253.08464	2.8
255.10120	3.9
262.06161	4.2
267.10217	4.9
268.07233	4.9
277.08600	13.4
281.11813	5.7
283.09637	15.0
291.19675	12.8
294.08905	3.9
295.09451	2.8
297.11166	3.1
299.12723	32.8
309.11234	10.3
309.20499	5.0
327.08417	9.1
327.12170	100.0
327.15335	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	327.1584
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
50.82059	2.0
54.25809	2.0
55.01851	2.1
67.05487	4.2
78.62204	1.8
81.07035	3.6
83.08627	3.7
83.91275	2.6
84.53067	2.0
91.05451	2.3
95.04950	3.6
95.08610	2.5
97.06564	2.3
98.98479	4.6
103.05452	10.0
105.07007	7.5
107.04931	2.9
107.08563	2.9
109.06494	8.0
109.10086	4.1
119.08546	3.1
121.06466	4.5
123.08027	3.0
125.09590	3.2
131.04929	20.1
133.06458	29.7
135.08025	14.0
135.11601	2.3
136.58420	2.5
137.05956	100.0
145.06416	11.5
151.03893	9.5
151.07539	15.0
161.05963	2.8
163.07486	51.9
171.11790	2.8
175.07541	9.7
187.07558	2.8
211.74675	2.2
231.87239	2.1
249.09021	10.8
263.10645	3.6
265.08487	4.1
267.09967	2.7
277.08484	37.9
291.19348	3.5
295.10147	2.7
295.13272	14.0
297.11188	3.6
309.11090	10.4
309.20599	2.9
327.12759	23.8
327.15570	27.7
338.22818	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	327.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	31.2
55.87737	4.9
57.03423	23.8
57.07057	35.4
66.75434	4.8
67.05497	12.0
69.07052	27.4
71.04976	24.6
71.08604	23.9
73.02896	20.9
76.03981	58.9
81.07039	31.6
83.08611	11.4
85.10170	8.9
89.26086	5.0
89.95947	5.6
95.08596	42.1
98.98466	5.8
109.10156	11.0
115.02944	5.0
116.49196	5.3
129.05453	100.0
129.86951	5.3
130.98869	5.0
131.30251	5.4
153.27199	5.3
168.86722	5.3
213.51729	4.8
225.22069	55.1
249.24626	4.9
263.24423	5.3
286.23654	26.6
322.05185	6.1
327.25211	98.4
327.30936	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	327.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.9
57.03426	16.0
57.07070	22.4
67.05497	38.4
69.07064	31.7
71.04961	2.8
71.08611	22.3
75.86210	1.9
79.05443	2.9
81.07044	75.2
83.08607	24.0
85.10170	12.9
92.16798	4.9
93.07001	3.4
95.08591	90.6
97.10155	12.2
98.98481	9.4
100.82098	2.3
105.07022	3.8
109.10146	40.1
111.00773	3.0
111.11671	3.4
121.10104	10.4
123.11685	14.2
133.10117	4.9
135.11670	3.7
137.09607	2.7
137.13197	10.3
150.04736	2.4
157.10072	3.2
217.19478	3.4
229.17917	3.6
235.20491	4.2
265.24911	2.8
295.94101	2.6
327.25223	100.0
333.55093	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	327.2885
Annotation	Gymnospermin
Peak:m/z	Relative Intensity
51.32512	5.1
55.05499	37.3
57.07072	68.2
62.06078	6.2
64.89140	5.0
67.05489	47.7
69.07063	68.9
71.08619	100.0
79.05476	11.3
79.07970	5.6
81.07032	97.2
83.08600	67.9
85.10158	57.8
93.07039	26.2
95.08572	93.2
97.06521	10.7
97.10138	50.1
98.98447	26.0
99.08037	6.4
109.10123	41.0
111.11677	27.1
119.08556	8.2
121.10138	15.6
123.11673	35.9
123.69479	6.0
155.14287	10.3
161.13130	8.7
171.01324	9.4
286.22473	73.6
291.26733	13.8
309.27963	13.3
327.29126	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	327.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	21.5
59.82326	4.4
67.05502	7.4
69.07062	11.1
69.69346	4.8
71.08637	10.7
72.08145	44.6
78.90428	4.3
81.07059	11.0
89.05994	5.8
95.08601	11.8
98.98453	34.1
99.09213	5.9
100.07626	100.0
100.11246	59.7
101.11581	28.0
117.10246	85.2
140.87024	5.5
190.39841	5.1
200.02902	5.3
209.14087	4.9
218.32820	6.1
282.27847	11.4
327.29959	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0951
Annotation	Robenacoxib
Peak:m/z	Relative Intensity
51.68319	0.5
70.06598	0.7
71.04958	0.5
72.47811	0.5
84.04500	0.5
84.08111	0.5
85.02871	0.6
94.06526	0.8
97.02821	0.6
103.07561	0.6
106.06535	0.6
110.07169	0.9
111.37876	0.5
116.01600	1.1
122.06015	4.0
134.05997	4.0
140.07036	10.9
143.02704	9.0
149.02313	4.2
149.07057	1.0
150.05463	100.0
152.07021	27.8
162.73660	0.5
166.04936	1.0
166.06084	0.7
166.07254	2.3
168.06468	2.1
171.02162	10.4
175.08667	2.5
176.09358	4.4
179.08139	0.7
183.35429	0.6
184.04239	1.0
192.52493	0.5
193.09666	0.8
204.35748	0.5
209.07498	0.5
212.79771	0.5
219.07555	0.9
227.08382	3.0
237.08553	4.1
253.06467	0.8
271.07404	3.1
310.08456	40.9
328.09500	13.9
328.18610	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	328.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	3.8
69.03417	10.8
71.04993	9.8
78.88995	2.0
82.43093	1.8
84.49598	2.0
85.02892	16.8
85.06517	5.0
89.06011	2.7
91.05467	3.7
97.02883	14.7
103.07573	62.6
107.04932	3.6
109.02872	4.6
112.03961	4.2
113.05998	14.5
120.08102	57.2
120.56989	2.0
124.07629	2.5
127.03898	9.5
127.05807	2.1
130.06535	4.1
131.07048	12.8
132.08069	40.2
143.05789	10.1
144.08096	3.7
145.88718	2.2
149.08052	22.9
156.08047	2.8
161.06810	4.1
162.09158	2.8
166.08649	16.6
178.08661	8.4
198.09195	3.7
228.10078	2.4
235.23154	2.8
244.09712	3.9
246.11217	11.1
264.12262	36.4
292.11786	25.9
309.39847	2.2
310.12811	100.0
328.10330	3.5
328.13693	17.8
328.22513	2.9
343.57550	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65262	0.8
54.03421	0.8
57.03409	1.2
60.08162	9.1
71.04967	5.4
72.55711	1.0
72.59133	0.9
73.78806	0.8
86.09692	31.7
89.05979	3.6
92.94169	0.9
103.07561	1.2
104.10732	96.9
121.36901	0.8
124.99969	13.3
126.71164	0.8
140.44629	0.8
140.45894	0.8
145.08571	19.0
164.01843	1.1
184.07318	100.0
251.06792	1.4
254.27719	1.0
310.13925	5.7
328.15134	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	328.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31358	0.7
54.74434	0.6
57.03426	1.7
59.05004	57.3
61.02919	0.9
65.34988	0.7
69.03445	0.9
70.06583	3.7
72.08158	3.8
73.06555	100.0
74.06071	1.7
81.03416	0.9
85.02907	9.6
86.09702	20.7
90.13013	0.7
97.02884	3.1
99.08069	1.2
99.48289	0.8
116.07083	15.0
117.09138	12.1
127.03901	1.3
131.10641	5.8
140.47168	0.7
143.91020	0.8
145.04973	1.2
149.11723	64.4
176.26823	0.8
185.16475	4.1
202.78871	0.7
213.15984	5.1
237.03954	0.8
288.72675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39009	3.2
51.37740	3.0
55.05512	13.9
57.03427	7.5
67.05506	38.3
69.07074	12.9
71.04993	3.2
79.05486	38.2
81.07063	47.4
83.04981	6.1
83.08639	5.0
85.06513	5.7
91.05473	26.7
93.07035	63.9
95.04951	5.7
95.08595	36.6
97.06519	3.6
97.10170	13.6
99.04458	12.6
105.07018	42.4
107.04946	4.0
107.08593	97.6
109.06517	5.8
109.10149	19.6
119.08569	44.8
121.10148	31.6
125.09628	4.9
127.54153	3.2
128.28627	3.2
129.06960	4.1
131.08556	23.2
133.10124	29.9
135.11682	8.3
137.09669	5.1
139.11168	3.5
143.08540	5.3
145.10110	15.4
147.11671	20.6
149.09615	7.1
159.11687	20.7
161.13258	14.6
170.31100	3.5
173.13258	16.6
185.13243	15.8
203.14325	5.7
221.15334	7.5
235.16949	5.4
239.17876	5.8
245.09361	3.5
257.19052	16.6
275.20029	100.0
287.20123	6.2
293.21078	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47628	6.4
54.22449	6.4
55.05503	31.9
67.05499	11.2
69.03384	9.5
69.07033	13.3
79.05460	11.4
81.07051	16.0
83.08602	50.2
84.05656	7.3
84.97612	7.3
95.08601	9.6
97.10159	100.0
105.07040	10.8
107.08588	90.0
125.09622	96.5
189.11198	82.3
245.56480	9.4
275.20068	62.0
293.21054	18.0
328.15936	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	328.2476
Annotation	10-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
55.05507	5.7
56.05019	2.5
57.00048	2.5
57.03443	2.9
57.07064	16.4
57.66179	2.2
60.33409	2.1
67.05481	11.2
69.07050	12.1
71.08612	5.6
72.04538	3.1
74.00624	2.1
79.05458	3.2
81.07047	14.8
83.04980	3.4
83.08623	5.4
84.08078	3.1
85.06517	3.7
85.10170	3.8
87.04459	6.5
91.05468	5.6
93.07029	4.6
95.08582	23.1
97.06529	4.3
97.10141	3.3
99.08121	3.4
101.05980	15.6
108.63998	2.7
109.10130	15.3
111.04410	16.7
115.03912	3.0
119.08542	5.3
121.10093	4.5
131.08562	2.5
135.11659	3.8
139.07553	16.2
142.14946	3.0
142.15904	24.9
155.14369	3.3
168.17413	13.9
170.15425	4.7
226.14314	3.7
264.19513	3.8
264.23315	3.9
275.20123	2.9
282.20697	4.9
287.30435	6.5
292.22668	22.6
293.21121	24.6
310.23703	43.0
310.27399	4.0
328.24750	100.0
328.28180	4.3
328.31244	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	328.3204
Annotation	Stearoylethanolamide
Peak:m/z	Relative Intensity
50.77095	1.4
52.72522	1.5
57.07071	14.3
62.06084	100.0
62.48704	1.3
65.07677	1.4
65.66071	1.5
67.05515	1.8
69.07066	1.8
71.08610	9.7
81.07056	1.6
85.10170	2.6
95.08597	7.0
102.54852	1.3
109.10130	2.4
207.28508	1.6
287.23804	1.9
305.85150	1.6
310.30963	8.3
311.29440	6.7
328.28488	3.1
328.32074	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	329.1741
Annotation	Lophodione
Peak:m/z	Relative Intensity
53.40951	4.5
53.98734	5.2
54.12804	3.7
57.03413	5.7
64.39691	4.3
74.38786	4.7
81.07051	20.3
91.26550	5.0
93.07031	9.0
95.08582	10.7
97.06493	42.9
98.98431	7.7
105.07021	7.2
107.04945	4.8
111.08078	7.7
112.29238	4.7
114.09113	5.3
119.08540	7.5
121.06464	21.2
121.10143	5.4
129.06976	7.5
130.57416	4.7
131.08574	8.6
135.63875	5.5
137.05945	24.1
140.10608	7.2
141.06926	6.6
143.08507	6.3
145.10092	5.4
147.08014	7.4
155.08530	33.6
157.10081	9.3
159.08066	6.7
165.01791	6.0
167.08443	6.8
169.10043	10.4
171.08040	20.7
171.11572	7.6
173.09535	11.9
181.10005	19.6
183.11629	9.8
187.11108	7.8
193.10034	6.2
193.23726	5.4
195.11630	11.3
199.11148	22.0
211.11220	8.5
213.12646	6.9
223.14865	6.0
225.12668	11.0
237.16425	7.2
239.14276	26.8
241.15939	24.4
251.14360	5.4
255.17387	9.7
257.15326	8.1
265.15909	10.8
267.13770	28.9
267.17358	69.3
269.15179	10.2
283.16782	35.2
285.18433	99.9
293.15176	9.5
311.16284	63.2
329.06723	9.0
329.10770	32.3
329.17325	100.0
329.21121	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2108
Annotation	3,4-Seco-Sonderianol
Peak:m/z	Relative Intensity
55.05505	2.2
56.96560	1.1
59.04987	1.4
61.38062	1.2
67.05486	2.1
69.07053	2.9
69.99358	1.0
70.22800	1.1
74.03049	1.1
75.04482	1.2
81.07039	2.6
83.04971	5.2
83.08606	2.3
85.06496	1.7
91.05450	2.2
93.07004	5.5
95.08595	10.6
97.06489	1.4
97.10139	1.3
98.98456	2.8
105.07009	5.0
107.08573	7.6
109.10140	8.1
111.08086	2.3
119.08575	13.5
121.10110	7.8
123.08048	1.8
125.09566	1.5
129.52354	2.2
131.08516	2.4
133.10080	2.9
135.08009	10.0
135.11685	2.3
137.09618	6.1
138.52957	6.5
143.08527	1.6
145.10123	9.2
147.08043	27.8
147.10567	2.0
147.11674	42.2
147.12825	1.5
149.09579	8.0
155.08472	1.5
157.10155	1.8
159.11652	1.8
161.09599	7.8
161.13206	8.0
163.11163	6.5
169.52914	1.2
171.11646	8.1
172.70532	1.2
173.09618	9.0
175.11154	2.3
179.10677	2.3
181.10036	1.8
184.07314	5.8
187.11125	2.3
189.12753	16.0
199.11133	1.6
203.14252	1.6
209.13248	1.5
213.12701	1.5
215.14381	1.7
219.21176	2.6
237.16312	9.0
237.21930	1.9
239.14311	1.5
240.09921	2.9
251.17889	2.4
254.16597	6.7
255.17369	23.1
267.64594	1.4
268.79166	1.5
269.18997	5.3
271.16840	1.4
279.17307	6.6
287.19965	6.8
295.74063	1.6
297.18442	29.7
311.19910	6.7
313.20450	5.8
329.21054	100.0
331.21530	2.7
346.16913	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	329.2681
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03451	1.4
54.77040	1.5
55.01846	1.6
55.05514	27.7
57.03439	15.6
57.07069	20.7
67.05493	12.3
69.07063	52.2
71.08630	14.1
77.07822	1.4
79.05481	9.3
81.07054	26.8
82.28278	1.7
83.08619	41.4
85.10178	3.8
93.07017	13.4
95.08591	22.6
97.06518	8.8
97.10170	24.8
98.98428	2.6
107.08572	16.0
109.10159	8.6
111.04419	2.4
111.08067	8.1
111.11784	1.9
119.08643	1.8
119.49428	1.9
121.10125	18.0
123.11695	3.3
125.05934	2.1
125.09657	2.7
135.11656	16.0
139.11160	3.9
143.08562	1.9
145.10129	2.3
146.04771	1.8
149.13287	7.0
153.12698	2.4
163.14949	2.1
175.11151	2.2
177.09157	2.7
215.45381	1.5
219.21094	4.2
237.22156	11.0
253.82124	2.2
255.17307	2.4
311.25931	10.3
329.17554	2.5
329.26889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2683
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.05511	46.2
57.03440	8.9
57.07079	37.2
57.67905	4.5
62.25774	4.3
67.05502	67.1
69.07066	83.4
71.08614	23.9
79.05483	23.4
81.07053	99.0
83.08616	94.6
85.10211	5.8
92.16860	6.9
93.07026	47.0
95.08601	73.5
97.06528	31.4
97.10174	48.2
98.98471	9.0
107.08584	48.2
109.10131	27.5
111.08075	12.7
116.61076	4.8
118.27142	4.8
121.10127	100.0
121.15597	6.0
123.11732	31.3
127.40379	5.0
135.11678	97.3
137.13235	10.7
143.61183	5.8
149.13235	37.6
163.14888	7.8
218.84798	5.4
219.21086	55.4
229.58643	5.6
237.22084	74.2
255.23143	12.5
257.31216	5.2
311.25842	46.0
311.31348	11.6
329.26913	25.4
337.37009	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	329.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
56.01997	0.9
56.71116	0.9
57.03436	76.8
57.07061	1.7
57.80621	0.7
61.02650	1.0
61.02926	17.1
67.05461	1.0
69.07053	5.4
73.81133	0.9
75.04443	2.3
81.07052	4.0
81.24741	0.9
83.08598	4.2
93.78312	0.9
95.08596	2.0
97.06490	1.1
97.10159	4.7
98.98482	1.0
109.10140	1.3
117.05473	100.0
121.10151	2.2
123.68713	1.1
133.10069	1.1
159.11609	1.0
170.70525	1.1
247.78209	1.1
329.26834	28.8
329.32443	5.4
340.28534	1.1
354.59641	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	330.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72995	0.2
70.00545	0.2
78.94348	0.3
87.85734	0.2
88.03976	1.7
103.05486	0.4
107.04917	1.1
116.07056	0.4
120.01192	0.3
131.04916	1.3
132.01114	0.6
133.06459	0.4
135.02631	0.6
136.06192	3.1
147.04378	0.3
151.02145	2.4
160.07581	1.0
161.05965	0.6
162.00114	0.2
162.01361	1.7
163.02129	1.9
167.07031	6.7
173.05933	0.3
176.04662	0.3
176.07028	0.3
179.01596	4.9
181.03287	0.8
190.00797	4.1
191.01614	2.9
191.07030	4.5
192.06459	1.1
192.07828	1.5
193.03188	1.4
193.08603	1.4
194.09383	0.4
207.08879	3.3
208.01877	4.6
211.04251	0.5
213.05737	0.5
223.04221	100.0
224.66656	0.3
239.13002	0.2
266.08502	0.5
280.64453	0.3
300.08987	1.4
312.08978	10.3
330.09897	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	330.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36064	0.3
54.37292	0.3
58.06339	0.5
58.06602	10.2
61.89351	0.3
70.06554	0.3
78.57668	0.3
84.07672	0.6
84.08142	14.9
87.37744	0.3
88.04000	0.5
89.40915	0.3
91.35074	0.3
92.29990	0.3
98.09661	0.5
109.52224	0.3
116.10739	0.7
126.09146	0.6
128.10719	5.5
130.06528	0.9
143.11809	1.9
144.10176	0.9
155.11772	0.5
156.06552	0.6
157.07607	0.4
164.12704	0.4
167.40822	0.3
168.06459	0.4
169.07642	1.4
178.05792	0.8
184.11171	0.8
185.09221	0.4
199.10802	4.5
201.12393	1.3
239.11777	6.3
284.17557	19.1
285.12317	7.4
330.18097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.3
55.05257	1.8
55.05509	30.5
56.43401	1.3
57.03431	17.4
57.07072	8.5
59.04985	1.7
60.84215	1.2
65.03929	1.3
67.05498	85.2
67.18365	1.3
69.03411	6.3
69.07059	44.0
71.04970	10.1
71.08618	8.6
76.39424	1.5
79.05480	32.4
81.03401	10.0
81.07047	100.0
83.04964	14.3
83.08613	28.4
84.47109	1.6
85.06514	3.5
91.05464	24.9
93.07033	46.6
95.04929	10.5
95.08588	48.8
97.06493	8.8
97.10149	20.1
99.08068	8.4
105.07034	19.8
107.08576	35.0
109.06519	6.8
109.10146	73.1
111.08039	12.3
113.07383	1.4
117.06975	2.2
119.08562	29.5
121.10116	17.6
123.08018	6.6
123.11672	22.3
125.09591	17.1
129.07002	2.9
131.08589	3.0
133.10124	19.1
135.08064	6.6
135.11658	12.7
137.09567	11.4
139.11142	11.4
141.12730	5.7
145.10086	2.3
147.11661	15.0
149.09595	2.2
151.11160	2.9
153.09056	3.5
153.12718	3.4
155.10658	34.9
157.10089	3.3
159.11778	1.8
161.13240	10.9
163.14790	1.8
165.12694	2.8
171.11668	2.8
173.11710	43.3
173.13123	3.1
175.11206	3.0
175.14771	2.1
179.14247	3.2
189.11205	9.0
189.12720	1.8
193.12154	7.9
211.13240	8.4
241.19478	3.4
249.22021	1.6
259.20490	6.1
272.18146	1.5
277.21582	59.4
294.24097	2.0
295.22641	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	2.3
55.01871	2.8
55.05509	26.6
57.03432	3.9
57.07078	14.8
59.05013	1.6
61.61577	1.8
67.05501	51.3
69.07065	51.5
71.04977	10.6
71.08628	26.2
79.05491	34.2
81.03403	2.9
81.06590	3.7
81.07050	72.7
83.04964	11.4
83.08617	15.3
85.06503	3.7
85.10181	33.8
87.59011	1.9
91.05473	18.0
93.07034	56.4
95.04949	7.6
95.08595	100.0
97.06525	18.4
97.10137	22.1
99.08096	19.7
105.07021	16.9
107.08593	36.2
109.06487	2.8
109.10145	22.8
111.08060	10.6
111.11713	4.1
113.09635	33.3
117.06950	3.5
119.08556	23.3
121.10125	76.7
123.08041	9.4
123.11697	12.9
125.09612	11.7
129.06979	3.7
131.08575	14.7
132.00597	2.1
133.10094	17.2
135.11673	17.1
139.11150	23.1
141.12735	11.7
143.08495	3.0
145.10121	11.5
147.11665	26.4
149.09631	12.1
149.13283	2.0
151.11211	9.0
153.12721	3.5
155.10640	2.8
157.10197	3.7
157.12173	3.2
159.11661	2.7
161.13284	9.8
163.11227	8.9
165.12729	18.6
167.10651	18.6
171.11627	8.2
175.11130	3.5
175.14787	2.4
179.14357	4.1
183.13829	10.2
185.11755	10.0
189.11191	8.4
193.12158	6.7
203.12762	11.3
207.11714	3.1
210.20659	2.3
211.13327	11.5
217.19484	2.1
241.15816	7.7
259.20547	12.8
267.17422	8.1
269.18936	3.4
277.21579	60.4
289.21582	11.6
295.22604	60.5
313.17880	8.2
330.27225	2.5
335.05316	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	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40879	3.1
55.05509	6.6
56.05066	4.0
56.23951	3.3
57.28263	3.1
67.05491	7.3
69.07083	15.8
70.42577	3.9
70.85909	3.9
71.08615	4.0
71.91015	3.2
72.35979	3.6
76.57943	3.5
79.05493	5.3
81.07047	10.2
81.48603	3.9
83.04966	5.2
83.08633	4.9
91.05434	5.2
93.07042	6.2
95.08610	19.3
97.10183	6.1
101.23750	4.3
107.08624	5.5
109.10143	6.3
121.10152	5.9
121.25351	4.9
130.12271	37.8
140.14365	4.1
170.15448	9.0
175.45827	3.9
184.13391	21.5
202.14380	17.4
224.16502	5.9
238.47865	4.2
242.17546	5.4
327.43909	4.7
330.26361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	3.3
58.80623	0.6
67.05495	0.6
71.08620	3.1
73.50225	0.6
75.02702	100.0
81.07052	0.7
83.08587	1.1
85.10168	2.8
85.64625	0.6
87.86613	0.7
92.05338	12.6
95.08607	1.6
109.10166	1.1
142.13623	0.8
158.70003	0.7
187.95374	0.7
282.27921	16.3
330.28198	14.1
330.33783	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	330.2996
Annotation	Palmitoyl Serinol
Peak:m/z	Relative Intensity
51.34768	0.9
51.82947	1.1
55.05508	10.9
55.80738	1.3
56.05026	5.3
57.05939	1.2
57.07076	10.6
58.06591	1.4
60.04265	1.6
60.04518	24.4
67.05497	26.5
67.91293	1.1
69.07059	17.5
71.04981	1.8
71.08606	6.7
72.04490	2.4
72.64771	1.3
74.06067	100.0
79.05463	3.1
81.07049	30.6
83.08610	12.8
85.10155	3.2
86.06039	3.1
93.07028	2.0
95.08588	38.4
97.10136	10.4
109.10155	18.1
111.11712	2.0
121.10101	1.5
122.10421	1.9
123.11684	6.2
130.47968	1.3
133.10121	1.4
133.23053	1.3
138.23099	1.4
158.32042	1.3
220.21326	1.5
238.22420	2.0
254.28452	5.1
256.00266	7.3
282.27835	2.3
284.29376	8.2
294.27930	7.7
312.28909	51.8
330.29965	32.7
330.33557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0796
Annotation	Malvidin
Peak:m/z	Relative Intensity
50.83216	0.5
58.92224	0.5
93.07005	0.6
95.08601	1.0
98.76057	0.5
99.59669	0.5
104.67384	0.6
107.08512	0.6
109.10084	0.6
121.06392	1.0
123.28665	0.5
133.10060	0.6
135.08003	1.1
137.05942	0.8
138.03149	0.5
145.06418	0.5
145.10147	0.6
147.08014	1.3
151.03874	2.2
151.07478	0.7
159.11523	0.8
161.06078	0.6
165.09097	0.6
177.12646	0.8
181.10193	0.6
225.09169	0.8
253.08504	0.9
267.17450	2.1
270.05145	12.2
285.18307	1.1
286.04611	2.1
287.05402	3.1
293.91376	0.5
301.03537	1.2
302.04132	1.2
313.17880	2.3
315.04883	40.4
315.81113	0.6
316.05701	10.8
331.08032	100.0
331.18985	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	331.0808
Annotation	Morelosin
Peak:m/z	Relative Intensity
67.93000	0.7
73.91897	0.6
79.99063	0.7
80.73054	0.8
81.07043	1.6
91.05452	1.1
93.07026	1.4
94.69237	0.8
95.04970	1.3
95.08599	1.8
105.07006	1.7
107.04919	1.1
107.08598	1.2
109.06540	3.3
109.10150	0.8
111.08064	0.9
119.04964	0.9
119.08586	1.2
121.06522	1.3
121.10153	0.8
135.08012	1.4
137.05975	13.3
143.08585	1.3
145.10109	1.0
146.20428	0.9
149.05983	4.6
151.03902	3.4
151.07547	4.3
157.10005	1.0
159.11647	0.9
161.05968	8.3
161.07138	1.1
161.09641	0.9
162.06697	0.9
165.06966	1.6
165.09116	0.9
167.63739	0.9
171.11732	1.2
181.06462	1.3
183.11688	1.6
189.09331	1.0
193.06467	3.9
197.09573	1.3
197.13461	1.0
210.06754	3.6
211.11143	1.0
212.08427	0.9
213.09038	3.1
221.05914	7.1
222.06819	1.8
225.09079	12.0
225.16354	1.2
226.01999	0.9
238.06253	3.4
239.06958	1.2
241.08501	1.7
242.09563	0.8
243.10307	0.8
243.13933	1.0
253.08589	15.3
267.17526	1.6
269.18985	1.2
270.05264	12.7
270.08292	1.5
285.11221	4.5
285.18478	1.7
286.05023	1.1
287.05524	3.1
295.16852	1.8
301.10770	4.4
308.10114	4.2
313.07333	1.7
313.10699	10.0
313.18011	4.0
315.04962	36.8
316.05768	12.8
323.74438	1.0
331.08115	100.0
331.11746	12.0
331.18753	12.4
331.22556	1.0
344.05646	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	331.0797
Annotation	Morelosin
Peak:m/z	Relative Intensity
50.43096	0.6
52.36959	0.6
53.95209	0.7
55.10007	0.5
55.46095	0.6
56.73080	0.7
60.35332	0.6
81.07070	1.0
83.04967	0.9
85.02880	0.8
93.06991	0.9
95.08568	0.9
99.04476	0.9
105.06996	0.8
107.08565	1.3
109.02882	0.8
109.04428	0.7
109.06455	1.1
109.10165	1.3
119.08550	1.3
131.08568	0.9
133.10158	0.9
135.07993	0.9
137.05939	3.6
137.09622	1.6
143.08502	1.0
145.10103	1.2
147.07980	1.2
151.03903	1.8
151.07553	1.2
157.10095	1.2
159.08109	0.8
165.09093	0.8
169.10118	1.0
171.11682	1.3
173.09622	0.9
175.07362	0.9
178.54614	0.8
183.11652	0.8
189.09180	0.8
211.14786	0.8
225.12726	0.9
253.08551	2.8
267.17355	0.9
270.05161	10.0
285.18448	3.1
287.05566	3.1
295.16656	1.2
301.03247	1.1
302.04321	1.1
313.17929	3.0
315.04965	39.6
316.05737	12.1
331.08084	100.0
331.19061	12.6
336.69186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Morelosin
Peak:m/z	Relative Intensity
81.07028	0.9
91.05428	0.5
93.07048	0.5
95.08574	0.7
104.63837	0.4
107.08562	0.8
109.06500	2.4
115.80682	0.4
115.93929	0.4
119.08562	0.9
121.06437	0.6
121.10142	0.8
123.08044	0.7
127.07525	0.5
131.08493	0.7
137.05962	5.8
145.10149	1.0
149.05876	0.9
149.09590	0.6
151.03859	0.8
151.07542	1.0
153.01846	0.6
157.10054	0.6
159.08067	0.7
161.05937	4.7
162.06702	0.6
165.06929	1.0
181.06454	1.1
181.10031	0.6
185.13214	0.6
187.11058	0.6
192.04387	0.5
193.06424	2.4
197.09575	0.6
207.11794	0.9
209.13397	0.7
210.06693	2.5
211.11302	0.5
213.09123	2.3
215.10712	0.5
221.05901	4.1
221.13290	0.7
225.09076	6.1
227.10747	0.7
235.14758	0.7
241.08685	1.0
249.16368	2.8
253.08531	10.0
254.09367	0.6
267.13873	1.0
267.17365	4.8
269.08047	0.8
270.05200	10.6
281.08270	0.5
285.11188	2.6
285.18484	2.3
286.04611	2.2
287.05441	3.3
295.16858	2.2
299.05347	0.7
301.03290	2.3
301.10831	0.6
302.04120	1.2
313.10620	6.1
313.18042	4.1
315.04919	39.0
316.05713	11.0
331.08069	100.0
331.18674	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	331.0807
Annotation	Malvidin
Peak:m/z	Relative Intensity
56.15495	0.1
79.05466	0.2
80.73071	0.2
91.05415	0.8
95.04935	0.2
98.98412	0.2
107.04884	0.7
109.06466	0.3
117.93221	0.1
119.04923	1.2
121.06464	0.8
125.05753	0.1
127.07406	0.2
129.06918	0.6
131.04829	0.2
133.06467	0.2
135.08067	0.3
137.04961	0.2
137.05966	4.6
144.44070	0.2
145.06398	0.2
145.90216	0.1
147.07980	0.3
149.05931	1.4
151.03865	0.2
151.07523	4.2
153.01749	0.2
157.06461	0.6
161.05899	1.3
163.07538	1.1
165.05424	0.2
165.06822	0.2
167.08484	0.4
170.73154	0.2
173.09508	0.2
177.09064	0.2
178.02612	0.6
188.00177	0.2
189.09038	1.4
193.06415	0.4
195.08035	1.2
207.10066	0.3
210.06798	0.2
211.11157	0.2
213.09041	0.3
213.12659	0.2
221.05945	0.8
221.09625	0.7
223.07448	0.6
225.09120	1.2
227.10638	1.9
238.06271	0.2
239.17946	0.2
241.08505	0.2
242.05702	0.3
253.08606	1.4
253.12189	1.0
255.10158	1.4
267.10312	0.2
269.08066	0.3
270.05185	11.1
285.11218	1.2
285.18494	0.2
286.04721	1.8
287.05432	3.3
287.12711	2.5
295.16879	0.2
299.05594	0.6
301.03348	1.7
302.04123	1.6
313.14240	1.1
313.17706	0.3
315.04947	36.4
316.05740	10.0
331.08075	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	331.0811
Annotation	Malvidin
Peak:m/z	Relative Intensity
67.05473	0.4
74.72010	0.2
79.05445	0.2
80.73059	0.2
81.07023	0.4
85.06457	0.2
93.07013	0.4
95.04926	0.3
95.08582	0.8
97.06501	0.3
105.06966	0.3
106.85177	0.2
107.08578	0.3
109.06470	0.2
119.08556	0.3
120.03844	0.2
121.10101	0.2
135.11584	0.2
137.05920	0.8
145.10057	0.4
147.11595	0.3
151.07516	0.3
153.01770	0.2
160.56638	0.2
161.09549	0.3
171.11664	0.3
178.02568	0.4
207.61542	0.2
225.08865	0.2
267.17661	0.2
270.05194	11.2
273.03940	0.3
285.18527	0.4
286.04764	1.7
287.05463	2.9
298.04706	0.4
299.05353	0.4
301.03442	2.0
302.04251	1.7
313.17889	0.4
315.04953	37.0
316.05762	9.2
316.09207	0.3
331.08090	100.0
331.18472	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	331.1171
Annotation	Monocillin I
Peak:m/z	Relative Intensity
66.62565	0.8
70.92562	0.8
77.19356	0.9
81.07031	1.2
90.16729	0.7
93.07056	1.9
95.04946	1.0
95.08603	1.6
104.01828	1.0
105.07029	1.4
109.06475	1.3
109.10178	1.2
111.04440	0.9
111.08028	0.9
119.04937	1.7
119.08549	1.1
121.06474	3.4
121.51002	0.8
131.08569	1.1
133.10133	1.8
135.07985	1.1
137.05937	15.2
141.09117	0.9
145.10162	1.0
147.08060	3.4
149.05946	4.4
151.03899	3.4
151.07559	3.5
152.33485	1.0
154.06210	1.2
157.10141	1.4
161.05949	10.9
162.06700	1.2
165.06984	4.1
181.06467	3.6
182.07347	0.9
193.06522	5.2
195.08101	1.2
197.09584	1.5
209.06004	1.1
209.13321	1.0
210.06772	4.1
213.09096	4.2
221.05859	10.0
221.13051	0.8
222.06715	1.3
223.14919	0.9
225.09047	17.1
238.06195	2.1
239.06999	1.1
241.08496	2.1
241.12572	1.1
253.08519	20.6
254.09340	1.3
267.17450	5.0
269.07904	3.0
270.05203	9.8
270.08847	0.9
271.16724	1.1
273.11014	1.1
281.08194	1.2
283.16891	0.9
285.11151	8.8
285.18500	1.3
287.05527	1.8
287.12744	1.0
295.16885	1.6
301.10764	3.4
313.10818	13.5
313.14392	1.9
313.17984	4.0
315.04904	34.0
315.08563	1.7
316.05655	9.9
331.08105	100.0
331.11725	10.8
331.15045	3.7
331.19128	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	331.1168
Annotation	Monocillin I
Peak:m/z	Relative Intensity
50.63428	0.6
75.37090	0.7
78.32333	0.7
81.07017	1.5
83.04955	0.9
91.05428	1.3
93.07024	1.5
93.24936	0.7
94.88376	0.9
95.04926	1.4
95.08566	1.2
105.06990	1.6
109.06483	4.8
121.06469	1.5
123.04396	1.4
133.06479	1.8
135.08054	1.0
137.05951	24.8
143.08551	0.8
145.10132	0.9
146.03529	1.2
149.05954	7.5
151.03902	1.3
151.07526	4.0
153.06972	1.6
161.05948	22.9
162.06708	1.8
165.06874	7.6
181.06416	7.7
182.07228	2.0
183.07956	0.9
189.05418	1.2
193.06447	13.0
194.07265	1.9
195.08099	1.0
197.09523	1.8
198.18430	1.0
209.05849	1.4
210.06734	7.6
211.07446	0.9
213.09064	7.0
221.05911	22.6
222.06778	4.3
224.08286	1.3
225.09038	35.5
227.10504	0.8
238.06194	6.6
239.06975	1.8
241.08434	7.0
242.09418	0.8
253.08527	46.0
254.09314	4.9
263.08875	1.0
267.17267	0.8
269.08060	5.8
270.05136	12.3
281.08020	4.2
284.10388	3.1
285.11154	15.3
285.18134	2.5
287.05438	4.0
301.03210	1.3
301.10553	7.0
313.10623	36.7
313.17957	1.7
315.04889	31.7
316.05630	9.7
331.08066	100.0
331.11639	12.3
331.18430	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	331.1176
Annotation	Balantiolide
Peak:m/z	Relative Intensity
54.34216	0.7
66.02648	0.8
71.24647	0.6
79.05482	1.1
81.07059	1.5
91.05482	8.7
92.17368	0.8
93.07014	0.8
95.04957	5.2
103.05435	1.2
105.07007	3.2
107.04946	3.4
107.08585	0.8
107.68533	0.8
109.06516	6.4
109.10104	1.0
111.04408	3.3
115.05410	0.8
119.04933	11.7
119.08553	1.1
121.06486	10.4
123.04422	3.2
123.08085	1.0
125.05976	1.2
129.06973	5.2
131.04932	3.0
131.08517	2.7
133.06473	4.4
133.10141	1.0
134.03664	1.6
135.08014	1.7
136.05234	1.0
137.05972	78.8
143.04933	0.9
145.06499	3.2
145.10030	1.1
146.03578	1.6
147.04413	5.4
147.08073	1.1
149.04782	1.1
149.05974	31.4
150.06746	1.8
151.03911	5.1
151.07526	43.8
153.05504	1.4
153.06978	5.1
157.06454	1.9
157.10135	1.6
159.11639	1.1
161.05957	31.3
161.09569	1.8
162.06778	5.7
163.03923	1.1
163.07523	9.0
165.05441	9.1
165.06984	9.5
167.07094	1.3
167.08533	3.7
168.04196	0.7
169.16612	0.7
171.11652	1.3
174.06827	1.2
175.07568	1.1
177.05452	4.0
177.06923	1.1
177.09103	1.0
178.07753	1.1
179.06999	3.3
179.08511	1.1
181.06462	23.3
182.07353	1.8
189.05423	3.2
189.09081	9.7
193.06485	15.3
193.10146	3.0
194.07243	1.2
195.04388	1.1
195.08035	11.5
197.06015	0.8
197.09656	1.8
198.06674	1.6
199.07535	1.1
207.08138	0.8
207.10101	0.9
209.05965	7.1
209.09743	0.8
210.06750	10.7
211.07535	1.5
213.09088	22.7
221.05937	24.2
221.09579	5.1
222.06755	4.7
223.07489	4.6
224.08168	1.2
225.05595	1.0
225.09088	37.9
227.06996	3.1
227.10643	13.1
236.27306	0.7
237.08952	1.0
238.06204	6.3
239.07094	3.6
241.08572	20.8
242.09296	1.6
249.09239	1.3
252.07706	1.1
253.08563	45.0
253.12129	6.2
254.09309	6.5
255.06552	1.5
255.10117	7.7
259.09607	0.8
267.10068	1.3
267.17383	1.7
269.08115	5.5
269.10803	0.7
270.08911	4.6
272.10431	1.1
273.11191	5.1
277.50674	0.9
284.10373	3.9
285.11160	14.6
285.18524	1.4
287.09177	3.3
287.12677	17.7
287.19595	1.0
295.16858	1.1
301.10718	12.0
301.13910	1.3
313.10730	7.4
313.14334	8.1
313.17789	1.7
315.04877	1.2
331.08466	3.6
331.11725	100.0
331.15213	7.2
331.18866	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	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
52.48678	0.8
55.24953	0.7
67.05474	1.0
78.04737	0.8
79.05482	1.0
81.07051	2.0
91.05466	19.1
94.04183	0.9
95.04963	9.7
95.08588	1.0
99.04421	1.0
103.05468	1.2
105.07028	3.8
107.04958	7.4
107.08590	1.3
109.06477	4.8
117.07008	1.8
119.04927	20.2
119.08554	1.1
119.14034	0.8
121.06474	7.0
122.03627	1.6
123.08010	1.9
129.06993	13.8
131.04919	6.6
131.08536	1.5
133.06415	1.7
135.08023	7.7
136.05177	3.2
136.69830	0.9
137.05960	86.6
143.04930	1.4
143.08511	1.5
145.06422	6.2
146.03636	1.2
147.08029	1.5
149.05978	10.7
151.03893	5.0
151.07516	100.0
154.19170	0.9
157.06441	13.4
159.08000	1.4
159.11652	1.5
161.05981	14.8
161.09599	4.7
162.06689	1.1
163.07520	21.5
165.07007	4.0
165.09065	6.3
167.08560	10.5
174.06693	9.4
175.07527	4.9
176.08318	1.0
177.09103	2.1
177.67679	0.8
178.07765	1.8
179.08574	1.1
181.10054	0.9
185.09535	0.9
187.07356	0.9
189.09073	28.4
192.09396	0.9
193.06461	5.0
193.08456	1.2
193.10081	9.8
195.08029	29.4
197.05923	1.4
197.13254	0.9
199.11186	1.6
203.08551	1.6
207.08054	3.0
207.10143	5.2
208.52608	0.9
209.09590	4.8
210.06740	3.5
211.07483	1.4
212.08311	5.3
221.05992	14.1
221.09563	12.5
222.06720	1.3
223.07515	13.9
224.08273	5.0
225.09050	14.6
227.10622	40.8
231.08131	1.3
235.07393	1.2
237.09042	1.7
238.06239	4.0
238.09793	1.3
239.10634	1.9
240.07776	5.3
241.12088	1.1
249.09067	7.7
251.06975	1.3
252.07561	1.4
253.08566	20.8
253.12216	23.5
253.14569	1.4
255.10112	25.6
256.10947	1.1
266.09180	1.1
267.10144	8.7
269.08011	4.5
270.08890	4.3
272.10349	6.6
281.11743	4.3
284.10303	1.6
285.11166	17.8
285.18411	1.9
287.12741	49.0
298.12115	1.4
301.14319	1.9
313.14334	24.6
313.17862	2.5
315.04996	1.5
331.08350	6.0
331.11514	1.6
331.15518	20.2
331.21536	11.1
333.19852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1531
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
52.48074	0.9
71.04980	1.3
79.05436	1.2
81.07033	2.2
91.05455	18.1
92.16866	1.2
95.04941	7.2
105.07014	2.5
107.04929	6.4
109.06505	6.8
111.04427	1.7
117.07032	1.6
119.04910	19.3
119.08534	2.7
121.06479	10.1
122.03661	1.6
123.04430	2.5
129.06975	9.7
131.04929	4.8
131.08527	4.4
133.06479	2.1
133.10152	2.0
134.03609	1.7
134.35350	1.0
135.08020	6.0
136.05147	1.3
137.05940	100.0
145.06458	2.2
146.03621	1.6
147.04428	4.3
147.08044	1.5
149.05943	27.7
151.03876	2.3
151.07501	76.5
151.08743	2.5
153.06955	2.5
157.06461	14.7
159.11542	1.4
161.05908	27.8
161.09547	6.2
162.06714	2.8
162.97620	1.0
163.07480	19.8
165.05402	5.0
165.06982	6.2
165.09045	5.9
167.08492	8.9
174.06769	5.9
175.07535	5.2
177.05431	1.6
177.09103	1.5
178.07613	1.2
179.08531	1.7
181.06473	12.4
182.07205	1.5
183.11618	1.4
189.09026	23.8
193.06413	16.4
193.10051	8.6
194.07295	2.1
195.04384	1.1
195.07994	29.7
196.08929	1.1
197.09572	2.1
203.08473	1.4
207.10106	2.5
209.05881	4.6
209.09563	4.8
210.06738	9.5
211.07411	2.6
212.08287	4.3
212.57658	1.0
213.09026	13.9
221.05942	20.2
221.09386	10.1
222.06761	2.2
223.07428	14.2
224.08282	2.7
225.08997	31.5
227.07196	2.0
227.10594	37.6
237.09081	1.4
238.06210	5.7
239.06931	2.7
240.07706	4.5
241.08537	11.8
249.09006	5.7
252.07701	2.2
253.08495	37.6
253.12077	15.2
254.09254	2.5
255.10089	17.0
259.13077	1.3
267.10104	8.3
267.17294	1.4
269.08072	7.9
270.08694	2.0
272.10452	5.6
273.11368	2.0
281.07935	1.2
281.11624	4.3
283.09650	1.6
284.10464	2.4
285.11148	21.4
287.12689	32.3
287.19894	1.7
298.11926	1.8
301.10599	5.3
301.14172	1.3
313.10837	4.0
313.14273	15.7
313.17816	2.8
315.04755	2.0
331.07849	4.5
331.11673	47.0
331.15359	15.8
331.18991	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87666	1.7
72.08144	8.5
85.02899	2.0
91.05468	11.6
95.04950	4.3
95.08578	2.6
105.07025	4.2
105.35498	1.9
105.42488	2.1
107.04922	3.8
107.08575	2.1
107.17097	2.1
109.06499	7.8
109.10183	2.8
119.04916	15.2
121.06492	4.5
129.06973	9.9
131.04906	2.6
133.06461	3.8
135.08040	9.1
137.05946	66.9
143.08459	2.2
145.06451	2.7
146.03549	2.5
147.07979	2.7
149.05972	17.8
149.09584	3.1
151.03946	4.1
151.07503	60.5
157.06502	9.2
159.07944	2.1
161.05913	16.3
161.09624	3.9
163.07520	13.3
165.06989	2.4
165.09128	3.5
167.08600	3.6
167.37239	2.1
174.06763	8.1
175.07573	2.2
177.05508	2.2
179.08537	2.5
181.06477	3.1
182.07288	2.7
189.09039	19.3
193.06429	5.0
193.10097	3.3
195.08032	14.4
197.09616	2.2
209.06013	2.5
210.06717	8.2
213.09041	10.0
221.05952	13.9
221.09532	3.7
222.06633	4.4
223.07491	4.9
225.09038	21.2
227.10620	23.8
238.06308	3.5
241.08554	4.1
249.08994	2.5
253.08644	29.7
253.12029	15.1
255.10123	13.5
267.10248	3.4
269.08130	3.4
270.05151	10.2
270.08829	2.1
278.24832	3.4
284.10370	2.7
285.11206	13.2
287.12735	34.7
300.02518	2.9
301.10556	2.2
313.11099	5.2
313.14307	16.1
313.17685	6.1
315.04947	36.9
316.05771	11.2
331.04376	5.7
331.08054	100.0
331.11835	33.1
331.15274	13.0
331.19025	23.0
331.29413	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	331.155
Annotation	Podolide
Peak:m/z	Relative Intensity
57.07064	0.2
58.06574	1.0
59.06929	0.2
68.42357	0.2
78.91433	0.2
84.08128	1.7
85.08459	0.3
92.16772	0.4
93.53626	0.2
95.08553	0.2
127.03828	1.1
128.10657	0.4
129.11028	0.4
134.08372	4.4
135.08189	0.4
135.09151	6.9
137.02335	0.2
137.05971	1.9
147.04425	0.2
149.05936	0.2
149.07062	0.3
151.03877	0.2
160.15932	0.2
197.07080	2.0
199.10658	0.3
240.12073	0.4
250.14381	0.3
260.11761	2.3
261.38043	0.3
273.12579	0.3
274.13101	1.4
275.14142	0.2
285.17963	2.4
286.13235	3.2
287.14151	0.2
302.12708	0.3
303.15982	0.4
313.14291	0.3
314.12671	1.2
326.55475	0.2
329.13998	0.3
331.15378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
53.52356	0.9
55.05493	6.6
57.03431	1.6
57.07066	1.6
67.05500	10.4
67.05782	1.0
69.00385	1.1
69.03399	1.7
69.07041	5.1
71.01347	1.3
71.04964	1.9
73.63721	1.1
76.51089	1.2
79.05480	10.2
81.07056	40.3
83.01292	2.7
83.04961	2.5
83.08623	8.8
83.09011	1.1
85.06521	1.8
91.05453	5.6
91.13332	1.1
93.07030	13.1
95.04936	5.1
95.08596	19.2
97.06519	2.5
97.10159	14.5
99.04461	1.6
99.08092	1.1
101.02361	2.0
105.07027	16.2
107.08595	16.1
109.10139	17.7
111.04426	2.1
111.08059	1.7
113.06005	13.0
117.07009	2.4
119.08582	13.7
121.06470	5.8
121.10107	8.8
123.08044	26.3
123.11673	7.2
125.05959	1.7
125.09617	17.2
129.06964	4.9
131.08566	22.8
133.06386	1.7
133.10114	11.7
135.08034	9.0
135.11656	2.8
137.05952	9.0
137.09575	1.7
143.08559	8.7
145.06468	2.9
145.09238	1.1
145.10135	20.9
147.08011	7.3
147.11649	8.0
149.05952	1.7
149.09567	4.6
151.07533	2.4
155.08548	5.6
157.10101	13.4
159.08011	7.7
159.11650	11.3
161.05972	1.2
161.09584	9.2
161.13228	5.1
163.07523	2.4
167.08498	1.5
169.10092	7.9
171.08075	1.4
171.10210	2.3
171.11636	10.7
173.09633	11.7
173.13219	6.4
175.07474	1.2
175.11133	8.1
175.14810	2.9
176.23553	1.3
181.10115	1.4
183.08026	1.5
183.11671	26.5
185.09541	7.1
185.13168	9.4
187.07582	2.0
187.11118	9.1
187.14784	8.9
189.09082	2.8
189.11165	14.9
189.12674	3.7
191.10609	1.4
195.11703	5.2
196.12457	2.3
196.38895	1.3
197.09523	4.8
197.13222	20.9
199.11115	6.7
199.14761	6.4
201.09019	4.7
201.12703	6.2
203.10561	2.4
207.11699	1.9
209.13208	2.1
211.11166	11.4
211.14796	2.3
213.12724	15.0
213.16365	2.3
215.14302	10.3
215.17912	2.9
225.12697	4.7
225.16304	7.0
226.13467	1.6
227.14287	5.8
229.12206	2.7
229.15799	1.4
239.10521	1.3
239.14200	4.2
239.17899	70.1
240.14836	1.5
241.15883	2.3
241.19443	2.4
243.13712	2.6
243.17409	23.7
249.16199	1.9
253.15582	1.7
257.18994	10.1
261.18518	1.5
267.17386	51.3
269.18948	34.0
271.16690	1.6
278.18240	2.6
285.18408	22.6
287.20035	38.8
295.16766	10.1
313.17764	52.0
331.18918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1899
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.28506	1.1
54.43483	1.0
67.05496	8.2
73.98737	1.2
75.44034	1.2
77.29852	1.5
81.07056	2.9
83.01330	1.4
84.67374	1.3
86.74935	1.2
93.01933	1.6
93.07050	3.1
95.08599	6.5
97.06523	28.9
105.07021	3.0
109.10149	8.5
117.07011	2.1
119.08559	3.0
121.06510	5.9
121.10165	1.5
129.07014	5.7
131.08594	3.2
133.10124	5.1
141.07005	1.5
143.08553	9.2
144.22209	1.7
145.10123	2.5
147.08037	3.0
147.11707	1.7
155.08501	5.0
157.10109	4.8
159.11703	2.3
161.09566	3.1
169.10094	6.8
171.11703	2.3
173.09610	9.2
175.11212	2.3
181.10083	3.0
183.11740	12.2
185.09558	2.0
185.13219	18.6
195.11777	5.2
197.13278	6.7
199.11229	2.5
199.14873	1.6
201.12766	5.9
201.16409	1.3
209.13245	2.2
209.17136	1.4
211.11349	2.3
213.12691	10.7
225.12730	1.6
225.16359	2.9
227.14275	3.2
239.17903	3.3
241.15843	4.6
251.17923	5.9
257.11639	1.8
257.15344	2.4
267.17389	6.8
268.25409	1.6
269.18976	100.0
285.18521	2.7
295.16873	18.2
302.99817	1.4
313.17935	18.8
331.18991	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	331.1899
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.05512	1.3
66.57188	0.8
67.05472	1.7
69.07059	8.3
71.74892	0.7
79.05489	1.8
81.07038	4.4
83.04967	1.1
85.02875	0.8
85.06541	0.9
91.05442	3.4
92.16772	0.8
93.07024	4.1
95.04943	0.9
95.08588	5.0
97.06509	7.1
105.07001	1.2
107.08578	9.0
109.10176	6.4
111.08064	17.5
113.12279	0.8
117.06982	1.2
119.08567	4.5
121.06474	5.4
121.10120	7.5
123.08059	3.4
125.09735	0.9
129.06976	1.2
131.08565	3.6
133.10109	5.0
135.08051	1.6
135.11696	1.4
137.05972	1.2
143.08536	5.5
145.06458	1.0
145.10085	6.1
147.08028	1.7
147.11676	1.0
149.09598	4.3
155.08533	3.2
157.10086	5.3
159.08078	2.1
159.11610	5.0
161.05905	1.1
161.09567	7.4
163.11150	3.7
163.70892	0.9
167.08414	1.1
169.10106	4.9
171.07985	1.2
171.11667	10.1
173.09557	5.8
175.11108	1.6
181.10097	1.2
182.10829	1.0
183.11659	7.5
185.09576	4.0
185.13188	3.8
187.11157	28.2
189.12630	0.8
193.10159	1.1
195.11696	4.6
197.09602	1.6
197.13216	20.5
199.11070	3.1
199.14746	3.3
200.11960	3.1
201.12685	3.2
207.11653	5.7
209.13210	4.0
211.11099	4.4
211.14848	1.8
212.12010	1.2
213.12617	6.3
214.13551	7.5
215.14276	1.1
221.13165	1.7
225.08958	0.8
225.12738	1.6
225.16335	1.8
226.13582	1.1
227.14189	1.3
239.14307	1.5
239.17830	1.7
241.15817	7.3
249.16283	1.5
251.17827	1.0
265.93936	1.9
267.17413	16.4
269.18948	100.0
270.05319	1.9
285.18372	3.7
287.05511	1.0
287.19983	9.8
295.16898	5.7
300.31296	0.9
307.94891	1.8
313.17896	12.8
315.04932	10.8
316.05524	2.8
331.08087	30.0
331.11621	1.7
331.14966	1.6
331.18854	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	331.1899
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
67.05485	4.5
69.07062	2.4
71.15278	2.2
79.05496	9.5
81.07047	17.9
85.06543	2.3
88.34660	2.3
91.05445	5.0
92.17332	2.6
92.19361	2.6
93.07015	18.4
95.04934	2.8
95.08605	19.4
97.06521	30.5
105.07021	15.0
107.08573	22.3
109.06509	3.9
109.10119	5.6
111.04414	2.9
111.08074	27.3
113.06004	2.6
117.07012	2.6
119.08562	17.4
121.06493	9.1
121.10114	14.0
123.08047	11.1
129.07039	2.9
131.08562	27.2
133.06421	3.1
133.10091	15.7
135.08063	5.8
137.05959	9.6
137.09627	2.6
139.11214	3.2
143.08551	16.0
145.10123	28.4
147.08002	13.1
147.11694	4.6
149.09590	11.0
151.03998	4.7
155.08534	16.3
156.09230	3.7
157.10065	19.5
159.08022	11.0
159.11661	16.7
161.09514	20.0
163.11136	14.2
169.10089	26.3
171.07982	2.5
171.11627	25.5
173.09572	5.8
173.13234	4.5
175.11160	11.6
183.11690	21.6
185.09549	4.6
185.13254	22.8
187.11180	11.0
187.14941	2.9
193.10034	2.5
195.11716	10.2
197.09541	2.5
197.13231	43.4
199.11142	10.3
199.14641	4.3
201.12758	10.9
209.13257	5.6
211.14677	5.1
212.11865	2.5
213.12698	10.2
215.10583	2.5
215.14297	13.0
223.14807	2.9
225.12743	9.9
225.16374	5.7
227.14307	15.3
227.17833	3.1
229.15703	4.6
239.14233	12.5
239.17947	3.7
241.15855	15.9
243.17397	5.1
249.16277	6.0
251.17802	4.4
253.08517	3.6
253.15878	3.4
255.17563	2.7
257.15335	4.5
257.18930	9.4
267.17340	21.2
269.16129	3.6
269.18890	32.0
270.05081	4.9
271.16910	10.2
273.18353	4.2
283.16724	3.6
285.18417	27.8
287.19977	68.8
295.16827	11.8
303.19446	3.7
313.17865	27.5
315.04965	22.9
331.08047	61.5
331.11829	3.2
331.18951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1895
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
51.52405	0.9
56.90476	1.0
57.03429	1.5
60.95235	1.0
67.05509	9.8
69.07045	2.0
71.04967	1.2
73.82763	1.0
80.40368	1.5
81.07056	11.3
83.04945	2.0
83.08598	1.3
85.06510	1.5
91.05453	4.4
93.07008	12.0
95.04926	8.4
95.08580	7.7
97.06490	6.5
99.04403	1.4
105.06985	6.4
107.08559	8.8
109.02855	5.2
109.06506	4.6
109.10120	6.9
111.08051	8.2
117.07014	1.5
119.08542	5.7
121.06463	7.8
121.10091	8.1
123.08025	5.3
123.11671	1.7
125.09583	6.4
129.06998	1.6
131.08519	5.1
133.10078	5.7
135.08022	2.7
135.11705	1.7
137.05940	16.5
137.09555	1.5
139.11089	1.5
143.08519	8.7
145.10066	8.2
147.08037	6.8
147.11627	1.6
149.09598	1.7
151.07486	2.0
155.08516	5.5
157.10106	7.8
159.08051	5.2
159.11629	2.5
161.09590	12.3
163.11131	6.9
167.08496	1.5
169.08681	1.9
169.10103	6.7
171.08000	2.5
171.11612	6.1
173.09589	5.5
175.11145	5.2
181.10085	5.0
183.11667	9.0
185.09547	6.8
185.13206	7.6
187.11159	11.7
195.11674	7.9
197.09528	2.4
197.13242	10.9
199.11140	8.1
199.14748	2.1
201.09076	2.0
201.12819	2.2
203.14412	1.7
207.11632	8.1
209.13191	2.7
211.07663	1.7
211.11180	5.7
211.14833	8.9
213.12675	28.0
213.16158	1.4
215.14182	1.6
223.11139	1.7
223.14725	3.0
225.12671	5.8
225.16258	4.8
226.13490	1.6
227.14233	7.2
227.17896	2.4
228.15054	12.2
229.15767	2.1
239.14157	2.1
239.17885	15.0
241.15756	2.5
241.19566	1.3
244.14543	4.2
249.16385	1.6
251.14510	1.3
253.15820	2.6
257.15308	6.9
267.17377	19.6
269.18896	25.0
277.21725	1.6
285.18475	12.1
287.19977	100.0
295.16882	7.0
299.09235	1.3
299.16232	4.5
313.17871	10.9
331.08054	4.5
331.12003	2.0
331.18924	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15386	2.5
57.05441	2.4
57.07043	2.5
62.35259	2.4
65.44476	2.3
87.60389	2.2
88.07612	2.7
95.08591	2.6
98.98422	2.9
119.08530	3.9
135.07967	3.0
147.08044	4.0
177.12669	6.0
234.90570	2.6
269.30176	9.4
285.18390	14.9
297.78793	3.6
331.18832	21.1
331.22360	100.0
331.33902	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	331.2836
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05499	5.8
55.27246	2.1
57.03429	5.2
57.07070	100.0
65.97289	2.2
67.05488	14.7
69.07069	20.8
71.08617	82.8
71.94740	2.9
81.07043	31.2
83.08599	25.6
85.03375	2.4
85.10170	44.6
93.07016	2.7
95.08591	64.6
97.10158	16.5
104.99292	2.8
109.10156	28.3
109.25113	2.2
111.11758	2.7
123.11673	10.4
124.11048	2.4
135.02986	2.3
137.13261	2.5
172.45648	2.7
175.09708	2.5
239.23669	42.2
249.00047	2.6
313.27332	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	331.2836
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.00305	1.4
53.98779	1.0
54.89928	0.8
55.05506	8.9
57.03436	9.7
57.07070	100.0
58.44943	1.0
59.06103	0.8
67.05497	21.3
67.47945	1.0
69.07062	16.6
70.37724	0.9
71.08616	76.5
71.75513	1.0
75.04436	2.3
75.06525	1.1
75.09738	0.9
77.58693	1.0
81.07047	32.4
83.08612	24.4
84.11891	1.0
85.06538	2.0
85.10166	45.6
89.06017	1.7
93.07010	1.8
95.08579	52.1
97.10149	11.8
99.11730	1.2
103.07541	1.5
109.10138	22.0
111.11708	1.1
123.11716	7.8
131.37091	0.9
137.13217	6.0
151.14752	1.4
162.23454	1.1
165.16275	1.1
221.22604	3.8
239.23613	37.8
257.24637	4.1
263.67447	1.1
275.78738	1.0
313.27304	80.7
317.40256	1.2
331.27179	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	332.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
72.08138	2.5
76.75663	1.4
79.18645	1.5
81.03388	17.7
85.02840	1.4
93.90981	1.5
97.02891	1.9
109.02856	100.0
116.98748	1.6
125.02300	1.6
127.03872	6.4
132.04411	11.3
146.06013	1.9
162.05472	49.5
164.03372	26.1
169.04897	3.0
170.12849	3.1
174.05495	8.9
177.05545	2.8
188.03378	82.4
188.07179	2.4
206.04466	1.8
272.05463	2.6
272.08548	1.9
298.75455	1.6
314.06485	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	332.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49936	0.8
53.03946	1.7
57.03403	1.1
58.06581	1.0
62.86600	0.8
69.03413	1.2
72.08144	5.3
81.03404	18.9
85.02852	1.5
86.06056	8.2
86.09178	2.0
86.09686	42.3
97.02862	1.2
98.05994	1.0
108.08108	1.1
109.02856	86.7
116.07055	3.7
124.08369	0.9
125.02339	1.7
127.03889	2.2
129.10207	1.1
132.04413	13.7
134.05966	1.2
136.03847	1.4
136.06210	0.8
137.04294	1.1
144.04393	1.4
146.05995	1.7
147.77682	0.8
152.07091	1.6
157.09723	3.5
160.03902	3.7
161.04723	1.2
162.05464	79.6
164.03389	39.1
164.04767	1.1
169.04947	4.1
169.09694	1.5
174.05479	6.2
178.04979	6.0
185.09177	2.0
188.03383	100.0
199.17992	4.9
206.04446	6.0
208.05963	1.5
227.17473	5.5
237.74458	1.0
302.17227	0.9
303.68875	0.9
314.06525	5.3
332.07599	3.4
332.13202	3.0
332.18274	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	332.1336
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
54.39919	0.3
55.53278	0.3
57.03418	0.4
61.02934	0.9
67.05511	0.4
69.03420	3.8
71.70362	0.3
73.02912	0.8
73.81461	0.3
81.03397	0.6
82.55521	0.4
85.02892	6.6
87.04455	0.9
91.03954	0.6
97.02889	1.9
99.04451	0.4
106.06530	3.6
107.67007	0.4
108.08109	100.0
109.02857	0.7
121.53082	0.4
123.06807	2.5
124.07577	5.4
127.03934	1.8
134.06003	5.2
136.07573	13.0
152.07051	73.0
154.08621	1.7
170.08130	5.9
248.24210	0.4
302.42780	0.4
314.12289	18.7
314.15973	0.7
332.13348	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	332.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10855	1.5
55.05500	2.6
56.23904	1.6
57.07064	7.4
60.04517	16.1
63.32799	1.5
67.05492	7.5
68.63788	1.6
69.07059	3.7
70.06575	12.4
71.08632	2.6
72.04507	16.5
73.30139	1.4
76.03990	7.4
78.34699	2.1
81.07045	10.0
82.36465	1.5
83.08611	4.6
83.80237	1.7
88.03985	4.3
88.07618	45.6
95.08616	13.4
109.10143	2.5
116.80357	1.9
118.04976	20.2
132.10185	12.2
135.24762	1.8
150.11235	42.8
192.23334	1.7
227.19955	8.8
240.26825	7.5
268.26300	3.0
270.24225	100.0
296.25876	11.2
314.26987	23.4
332.27924	77.2
332.31754	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30350	1.7
57.10112	1.9
67.05434	1.9
73.37362	2.1
81.03407	18.1
89.44361	2.5
91.05471	3.7
91.86862	2.1
96.11466	1.9
100.11259	27.0
101.11581	7.6
107.08618	2.2
109.02874	100.0
118.92447	2.2
119.04941	19.5
127.03957	2.4
133.50603	2.2
137.05966	3.6
147.04445	16.6
150.99702	2.1
163.05824	2.3
168.63010	2.3
174.11391	2.2
175.03918	33.6
189.03795	2.8
207.06554	41.8
237.07677	2.9
257.08359	2.4
287.09097	3.4
315.08472	16.4
315.19467	3.2
333.09665	15.0
333.20432	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	333.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30044	1.7
52.25233	1.9
53.26992	2.1
55.79329	1.7
58.79905	1.9
69.07070	4.8
71.05064	2.3
73.13662	2.1
78.52429	2.4
79.05470	3.9
79.79449	1.8
81.07045	9.7
91.05461	2.0
93.07034	10.1
95.04922	3.2
95.08562	8.4
96.89313	2.3
97.06494	2.7
105.06989	4.7
107.08585	9.3
109.06512	3.5
109.10136	8.7
119.08585	14.4
121.10135	11.9
123.08029	3.8
123.11707	3.2
131.08539	4.0
133.10120	4.6
135.08023	9.8
137.05969	14.9
137.09631	2.7
140.60048	2.1
143.08545	3.5
145.06580	2.5
145.10081	10.4
147.08026	18.2
147.11696	17.1
149.09557	5.4
157.10118	8.6
159.11621	3.6
161.09624	5.4
161.13242	8.4
163.11169	3.2
164.27974	2.2
165.09113	2.1
167.06995	14.6
171.11656	9.9
173.13210	4.6
189.12709	5.5
191.21002	2.8
195.11670	3.0
197.13257	2.9
199.11197	2.6
200.02824	2.4
205.12369	2.9
209.13232	3.1
213.12656	2.5
215.39293	2.3
217.12187	2.7
227.14371	3.5
227.17841	3.4
237.16368	2.4
245.11076	2.6
251.17912	3.6
252.13474	2.3
255.17415	3.7
269.18945	12.0
273.18384	4.5
279.51025	2.4
285.18463	4.1
287.19949	19.3
291.19672	4.2
297.18527	11.2
315.15955	4.2
315.19479	35.9
333.16864	10.9
333.20462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2052
Annotation	Cespihypotin V
Peak:m/z	Relative Intensity
51.17099	0.8
51.56471	0.8
59.25760	0.8
67.05476	2.1
69.07048	2.0
69.26929	0.9
71.01330	6.8
81.07014	4.9
83.04962	2.2
83.08586	6.7
91.05443	2.4
93.07010	6.9
95.04902	1.2
95.08567	4.6
97.06487	1.6
98.86672	1.3
99.89976	1.0
105.06995	5.9
107.08568	5.8
109.06470	2.4
109.10120	21.1
119.08527	11.1
121.10105	10.7
123.11664	2.2
131.08527	2.4
133.10088	7.1
135.08047	9.9
135.11673	7.0
137.09567	1.5
137.13243	1.6
139.62114	1.0
143.08542	1.2
145.10097	6.8
147.06825	2.4
147.08011	67.1
147.11665	4.7
149.09579	5.2
157.10057	3.6
159.07982	4.5
159.11623	2.5
161.09587	4.3
161.13203	36.3
161.14481	2.0
163.11128	3.9
169.10071	1.1
171.11626	4.6
173.09602	10.2
173.13194	5.2
175.11079	1.7
183.11646	1.7
185.09560	1.4
185.13142	1.5
187.11084	6.3
187.14648	2.2
189.12688	7.5
199.11096	4.9
201.12727	9.6
202.13498	6.0
203.14340	1.2
213.12692	2.0
215.14241	2.4
225.16339	1.2
227.14214	1.4
227.17900	1.6
229.15672	1.6
241.19450	1.6
243.17349	2.2
245.18954	8.4
251.17810	6.0
255.17302	1.9
269.18909	25.9
271.16870	1.4
273.18460	1.5
279.17282	9.0
287.19891	8.7
288.10437	1.1
297.18350	8.2
315.16370	2.2
315.19452	86.6
333.20499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2054
Annotation	Japodagrone
Peak:m/z	Relative Intensity
59.04995	25.7
59.05295	0.8
69.03413	0.4
69.07043	0.6
81.07053	0.5
81.54334	0.4
83.08604	1.7
85.40453	0.4
85.73484	0.4
91.05462	0.5
93.07034	0.9
95.04952	0.8
95.08596	0.9
97.06498	0.6
105.07003	0.8
107.08591	0.8
109.06502	1.7
109.10157	0.9
111.08034	2.4
117.06982	0.7
118.22323	0.4
119.08543	1.9
121.06508	0.6
121.10151	1.6
123.08052	0.5
129.06976	2.3
131.04918	0.6
131.08549	0.9
133.10094	0.6
135.08022	0.9
137.05931	2.4
137.09634	1.6
143.08560	1.8
145.06467	1.9
145.10086	2.3
147.08029	2.4
147.11711	0.5
155.08524	4.4
157.10066	3.4
159.08038	7.8
159.11606	0.7
161.09558	1.9
161.13199	0.7
163.07555	3.7
167.07001	2.1
167.08484	11.1
169.10069	2.3
171.07990	0.9
171.11630	3.6
173.09599	0.8
181.04958	0.5
181.10121	0.6
183.08012	0.7
183.11613	0.7
185.09569	2.7
185.13278	0.5
187.11147	2.7
189.09048	1.8
189.12753	0.5
194.29970	0.4
195.11702	1.0
197.13182	2.0
199.11189	0.7
201.12718	0.5
203.10716	0.5
205.12245	1.0
209.13182	0.7
211.11119	0.6
211.14752	1.9
213.12711	7.5
215.14235	0.6
217.12253	1.0
221.13200	1.9
225.12682	2.1
225.16293	0.5
227.14359	0.7
237.16331	0.6
239.14226	1.7
243.13770	1.7
251.17941	0.6
255.17409	0.5
257.15256	0.7
269.18964	2.5
275.16315	10.6
279.17462	1.7
287.20032	1.0
297.18451	3.2
315.19464	18.5
333.20538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2058
Annotation	Cespihypotin V
Peak:m/z	Relative Intensity
55.05483	0.6
57.85076	0.8
61.73789	0.6
67.05477	0.8
69.03422	0.9
69.07053	0.9
71.01342	3.1
79.05479	0.9
81.07053	3.2
83.04971	1.6
83.08611	3.1
85.53150	0.7
91.05460	1.1
93.07037	3.2
95.04960	1.1
95.08592	4.2
105.07008	4.1
107.08583	4.9
109.06497	1.7
109.10140	13.6
119.08564	8.8
121.10122	7.3
131.08545	1.8
133.06419	0.8
133.10117	4.6
135.08049	7.8
135.11679	5.5
137.09622	1.8
143.08589	1.0
145.10139	1.1
147.08040	41.5
147.11655	4.1
149.09605	5.3
151.11221	0.9
157.10101	1.8
159.08054	3.0
159.11650	1.3
161.09630	5.5
161.13240	34.1
165.09149	1.2
171.11725	2.1
173.09639	3.9
173.13228	1.4
175.11205	3.9
183.11658	0.7
185.09575	1.1
185.13240	1.3
187.11259	1.8
189.12700	6.8
195.11736	1.6
199.11160	4.0
201.12749	5.9
202.13507	3.2
203.14343	1.5
211.14886	1.5
213.12711	3.6
215.14320	3.3
229.15886	3.3
241.19441	1.9
243.17261	1.5
245.15364	1.5
245.19073	3.9
251.17882	3.7
269.18970	23.4
279.17599	1.4
287.20053	28.4
297.18475	5.7
315.19528	43.3
333.20551	100.0
351.26831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2054
Annotation	Cespitularin D
Peak:m/z	Relative Intensity
50.54132	0.7
50.64412	0.8
56.01294	0.7
57.07049	0.9
65.20872	0.7
69.07048	0.9
71.01330	5.7
81.07030	2.0
83.08617	2.0
86.98900	0.8
91.05473	1.2
93.07024	1.8
95.08582	2.1
103.33639	0.8
105.07022	3.8
107.08589	2.0
109.06487	1.2
109.10132	16.1
117.06976	1.0
119.08560	6.1
121.10117	6.4
131.08499	4.0
133.10083	3.3
135.08026	5.1
135.11685	5.0
135.69719	1.0
137.09578	1.2
143.08519	1.0
145.10149	1.2
147.08020	42.2
147.11624	3.5
149.09578	3.6
159.07983	4.3
159.11620	1.9
161.09546	4.7
161.13217	33.3
171.11504	1.2
173.09564	6.4
173.13194	2.2
175.11145	1.7
183.11554	1.1
187.11110	3.5
189.12714	5.1
199.11182	2.0
201.12691	5.1
202.13550	1.5
203.14255	3.4
213.12778	1.4
215.14238	2.1
227.17719	1.3
229.15906	1.5
241.19536	1.4
245.15327	1.8
245.18993	4.0
251.17943	2.0
269.18939	22.0
273.18469	1.3
279.17389	1.2
287.20010	19.1
297.18369	4.4
315.19501	41.6
325.18240	1.1
333.20529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2049
Annotation	Cespihypotin V
Peak:m/z	Relative Intensity
67.05470	1.3
69.07018	0.8
79.05502	1.0
81.07037	8.1
85.06497	0.8
89.46458	1.0
92.17474	0.9
93.07014	5.3
95.08564	4.3
97.23631	0.9
104.54660	0.9
105.07020	3.9
107.08559	8.5
109.06498	4.0
109.10120	3.6
114.42243	1.0
119.04925	1.2
119.08522	2.2
121.10128	2.0
123.11683	1.5
130.08589	1.2
131.08513	1.1
133.10085	1.9
135.07996	1.5
135.11676	6.2
136.73711	0.9
137.05946	9.1
143.08594	1.6
145.10075	1.6
147.07959	1.7
147.11670	1.4
149.09647	1.6
151.07495	3.2
153.08968	1.1
157.10034	1.7
159.11617	1.3
161.09557	1.7
163.11195	1.0
165.09100	1.4
171.07947	1.9
171.11662	2.0
173.13251	1.3
175.14731	5.0
185.09575	3.6
185.13200	3.8
187.11096	5.6
189.12735	1.9
195.11642	1.5
199.11118	1.4
199.14729	1.6
209.13223	1.3
213.12714	33.3
215.14287	1.0
217.12465	1.0
227.14223	11.0
227.17859	1.6
240.14961	1.9
241.15710	1.3
241.19464	4.8
251.17813	1.1
269.18945	65.8
287.19977	54.5
315.19501	100.0
333.20343	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	333.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56542	2.3
54.04163	2.8
54.37846	2.5
55.65947	2.4
57.20840	2.4
63.98957	2.2
69.33208	2.7
70.72644	2.8
70.75005	2.7
73.61172	2.9
76.80292	2.7
77.98463	2.9
79.43293	3.1
92.16859	4.8
98.66506	3.2
152.65297	2.8
273.36581	3.1
333.24005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2629
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
53.06646	0.9
55.05501	11.5
57.03428	4.4
57.07060	1.5
59.04991	1.4
59.98211	0.9
67.05492	54.0
68.75673	1.0
69.03402	1.8
69.07053	26.1
69.16125	1.1
71.04967	6.8
71.08609	0.9
73.06505	1.1
79.05475	12.9
81.07042	85.3
82.50491	0.9
83.04972	6.0
83.08600	14.5
85.06517	6.1
91.05452	10.0
93.07025	23.7
95.04943	4.8
95.08583	91.3
97.06505	8.2
97.10141	12.8
99.08097	3.8
105.06990	9.9
107.08570	22.6
109.06509	1.5
109.10129	51.0
111.08047	2.3
111.11710	1.4
117.06988	1.2
119.08539	14.2
121.06455	1.4
121.10106	27.7
123.08027	3.8
123.11662	21.9
125.09644	1.9
125.59347	1.0
127.07597	1.1
131.08504	7.9
133.10115	12.7
135.07974	1.1
135.11665	20.6
137.05965	13.7
137.09578	4.5
137.13200	9.5
139.07492	1.2
139.11092	3.6
145.10086	6.8
147.08018	1.9
147.11642	13.8
149.09601	2.0
149.13208	10.0
151.11244	1.4
151.14766	1.7
153.12697	2.4
155.10567	1.3
159.11673	5.0
161.13187	13.3
163.10994	2.0
163.14783	3.7
165.12730	1.9
167.07010	14.8
169.12119	1.1
173.11812	1.6
173.13237	8.2
175.14810	1.5
177.12737	1.3
179.14293	1.9
185.09526	1.0
187.11108	2.4
187.14764	4.6
191.14339	1.3
195.13782	1.5
197.13127	1.2
213.12680	1.9
223.17023	1.2
243.21066	6.5
261.22021	19.2
269.18945	1.8
278.27524	1.3
279.23111	100.0
287.20145	1.7
288.09802	4.5
297.18719	2.7
297.24158	44.9
315.15906	2.0
315.19513	8.9
315.25360	2.4
333.16837	3.2
333.20404	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	334.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79384	0.8
53.72296	0.8
55.10304	0.8
58.06588	9.6
59.07358	1.6
60.05569	0.8
60.08154	22.9
68.74796	0.8
84.04079	1.0
84.04487	16.6
86.09669	1.1
88.07573	1.6
91.92654	1.0
100.07599	8.2
109.02835	1.5
118.06487	1.8
130.04941	5.9
130.06482	7.2
132.08066	4.6
144.08044	9.5
146.04832	1.7
146.05977	42.0
147.11229	1.9
156.08035	3.5
158.05910	4.3
159.09140	14.9
162.05478	10.0
165.00151	0.9
170.05986	1.8
174.09081	1.1
184.07561	1.3
185.07071	1.7
188.07007	100.0
199.08635	7.5
203.10291	3.4
205.09676	19.3
211.08614	5.3
215.08025	1.0
225.10121	7.9
229.09619	4.0
245.09164	1.7
311.01077	0.9
317.11087	1.3
334.13812	16.7
334.17468	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.5
56.85720	1.3
58.06597	14.8
60.04512	7.0
67.05494	10.4
69.07050	5.7
71.04974	2.3
74.87886	1.3
76.03097	1.5
79.05491	3.7
81.07066	13.0
83.08603	2.3
84.08126	6.6
90.05061	1.4
90.23001	1.6
91.05480	11.3
92.17459	1.8
93.07010	10.9
95.08583	14.5
97.10149	2.5
100.07608	2.8
105.07019	19.1
107.08585	11.5
109.10136	10.7
112.07587	9.6
112.80273	1.4
119.08564	17.0
121.10138	6.1
124.07602	7.3
124.89668	1.5
131.08534	2.6
133.10141	11.2
135.11729	2.3
145.10097	6.4
147.08113	2.4
147.11679	10.4
149.09612	1.8
157.10138	2.4
159.11702	6.7
161.13252	2.4
173.13139	2.0
180.13847	2.5
197.13260	1.8
198.13577	2.6
208.13315	10.1
270.19269	6.4
275.19958	11.5
288.20407	2.4
298.19058	1.9
316.19525	5.5
316.22736	12.8
316.27744	2.5
334.20563	10.6
334.23792	100.0
334.29599	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	334.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21035	0.9
53.42979	1.2
55.05507	12.4
65.80637	1.1
67.05486	4.8
69.07050	8.0
70.06573	13.1
72.08142	69.4
81.07046	2.1
83.08617	4.8
95.08575	4.9
97.10161	1.7
98.05399	2.6
98.06036	71.5
109.10104	2.7
123.11710	1.3
140.10696	10.2
154.12218	7.7
168.13805	2.1
181.96875	1.3
182.15355	2.8
196.16888	2.0
224.19748	1.3
275.66193	1.3
307.34567	1.2
334.30966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0755
Annotation	Jaboticabin
Peak:m/z	Relative Intensity
52.03774	1.8
55.05496	3.1
56.44709	1.7
69.07066	2.4
81.07053	5.3
85.06568	2.9
92.46535	2.0
93.07021	5.1
95.04948	4.1
95.08591	5.6
96.87654	2.2
97.06538	4.1
105.06984	4.2
107.08549	8.5
109.10137	12.7
119.08568	16.7
121.10133	9.8
123.11626	2.9
127.16216	2.3
131.08498	2.8
133.10098	12.4
135.08102	3.1
143.08577	2.5
145.10092	4.7
147.08040	13.9
147.11685	9.9
157.10117	2.5
159.11717	3.2
161.13232	4.7
165.09044	2.4
167.07117	2.2
169.10115	3.3
171.11751	3.5
173.13239	9.2
175.11273	2.6
175.14772	3.2
176.53897	2.5
177.12439	3.5
187.03809	17.8
191.14275	2.3
197.13130	4.1
199.14801	2.9
201.12601	3.5
203.14256	3.1
215.03368	45.2
215.14429	4.1
229.15994	2.4
235.53088	2.6
241.15843	4.0
243.02904	3.6
257.18900	3.0
261.03827	4.1
269.18958	3.6
271.02332	66.2
271.20499	9.7
275.05328	26.6
281.18866	5.7
299.19815	16.5
303.04922	59.0
317.17548	4.2
317.21002	35.6
335.07544	100.0
335.18127	11.9
335.21939	67.2
359.84720	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	335.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01140	1.1
57.03437	14.9
57.07074	100.0
61.02936	1.9
69.03407	3.3
71.01342	12.2
71.04988	1.6
71.73427	1.2
73.02905	19.9
75.04456	1.7
82.68459	1.2
85.02899	36.8
85.06534	71.9
95.01303	5.7
97.02879	7.5
99.00824	7.6
101.02374	6.9
103.03944	8.4
103.07572	12.4
113.02360	18.7
131.03391	8.7
141.01826	21.6
159.02789	4.2
159.10150	74.5
177.11244	15.5
201.11273	5.9
215.05418	5.7
243.08621	8.4
254.32179	1.4
299.11362	2.6
317.12289	21.8
335.13446	36.5
335.17889	5.1
335.21805	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	335.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
56.05024	1.4
57.83875	1.4
59.34938	1.5
69.03416	16.7
70.35462	1.2
71.04985	3.3
71.60178	1.4
81.03423	28.1
85.02892	58.5
97.02882	6.2
99.04449	31.0
102.18391	1.5
103.03933	77.3
109.02859	27.3
127.03892	100.0
145.04979	9.7
163.05891	2.2
183.76677	2.0
187.05992	7.1
220.11542	1.4
233.10164	2.2
238.04945	1.6
238.97789	1.4
253.07079	2.1
268.78442	1.4
271.07996	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	335.185
Annotation	Plagiochiline C
Peak:m/z	Relative Intensity
52.17564	1.7
54.67910	1.9
55.05512	4.9
57.07049	2.4
63.23223	2.0
64.59560	2.5
67.05492	21.1
69.03420	3.1
69.07047	11.9
71.04987	3.4
72.48154	2.2
79.05488	8.2
81.07050	37.2
83.04975	4.4
83.08588	3.9
85.06543	2.5
91.05479	11.6
93.07036	26.6
95.04961	5.1
95.08607	26.9
97.06502	3.7
99.04433	3.6
105.07039	30.9
107.08577	28.5
109.06524	15.8
109.10147	14.4
117.07015	10.2
119.08553	29.3
119.71474	2.3
121.06519	10.2
121.10117	24.7
123.08018	3.6
123.11687	5.1
129.07022	9.6
130.70667	2.2
131.08566	24.3
133.06509	11.5
133.10118	34.0
135.08032	14.2
135.11708	10.0
141.07014	2.7
143.08534	16.2
145.06595	2.5
145.10103	40.5
147.08035	17.2
147.11679	13.2
149.05981	3.5
149.09607	12.4
149.13268	3.1
155.08514	17.1
157.10100	25.9
159.08018	25.5
159.11665	18.7
161.05978	5.3
161.09573	19.6
161.13145	3.8
163.07541	11.8
163.11339	2.9
167.08530	3.1
169.10095	26.4
170.10899	2.7
171.08049	4.9
171.11655	21.9
173.09592	29.9
173.13242	31.7
175.07469	3.8
175.11162	13.1
177.08990	3.3
181.10127	3.5
183.08015	4.6
183.11711	15.2
185.09599	5.5
185.13266	10.7
187.11151	34.2
187.14804	26.4
189.09064	3.6
189.12653	2.9
191.10695	3.4
195.11763	4.9
197.09598	10.3
197.13274	30.5
199.11201	13.0
199.14806	2.9
201.09140	18.8
201.12747	9.4
201.16370	9.7
202.09937	2.7
211.11253	5.1
211.14725	16.0
213.12750	10.8
213.16286	3.2
215.10684	15.1
215.14252	42.1
219.10069	3.7
221.13319	3.0
229.15811	33.2
231.13728	4.1
233.15294	3.4
239.14293	22.5
239.17825	3.3
241.15938	3.4
247.16850	2.6
253.19533	3.4
257.15320	100.0
271.17087	3.3
271.20596	5.2
275.16367	96.4
281.19006	4.0
293.17502	18.2
299.19958	24.0
317.17429	22.8
317.21033	28.6
335.18393	29.8
335.22095	43.3
335.25784	7.2
346.19049	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	335.1849
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
55.05513	3.2
55.77447	1.3
57.07077	1.8
67.05497	6.6
69.03412	2.8
69.07051	9.3
71.04988	1.8
79.05477	2.2
81.07052	13.7
81.87734	1.4
83.04964	6.6
83.08598	8.2
85.06550	2.6
91.05427	3.2
92.55989	1.6
93.07030	9.5
95.04946	3.4
95.08593	29.7
97.06512	10.7
105.07024	13.6
107.08576	18.0
108.01078	1.6
109.02863	2.0
109.06506	9.0
109.10166	13.9
111.04401	1.8
111.08105	3.5
113.05959	2.2
117.06985	3.8
119.08584	17.7
121.06474	8.4
121.10132	17.6
123.08045	6.8
123.11742	2.1
123.39591	1.6
125.05967	2.8
125.09656	2.6
126.90749	1.4
129.06981	2.2
131.08562	17.6
133.10121	21.3
135.08037	19.9
135.11679	7.7
137.09628	7.0
137.13210	1.5
139.11156	2.4
143.08510	12.6
145.06451	2.5
145.10089	21.5
147.08020	38.1
147.11668	18.1
149.09619	12.3
151.07510	2.6
151.11140	6.1
155.08519	11.3
157.10098	19.4
159.08035	7.2
159.11630	18.6
161.09567	18.2
161.13245	10.4
163.11136	7.5
165.09091	2.2
167.08559	2.2
169.10072	18.0
170.37238	1.7
171.08009	2.1
171.11621	24.9
173.09566	13.4
173.13254	21.5
175.11179	5.9
175.14941	2.4
177.09140	2.7
177.12657	1.8
183.11726	14.4
185.09593	1.6
185.13281	6.9
187.11160	10.4
187.14847	2.9
189.12674	2.1
195.11679	6.0
196.12546	1.9
197.13226	6.8
199.11191	9.6
199.14795	3.6
201.09103	1.7
201.12704	7.8
201.16437	7.1
203.14345	6.3
207.11612	1.6
209.13283	2.0
211.11188	2.8
211.14810	11.7
213.12700	10.0
213.16364	6.0
215.14316	9.0
215.17961	1.6
217.12254	2.5
222.13943	1.4
223.14806	6.2
225.12756	3.4
225.16344	7.2
227.14258	3.7
227.17859	2.1
229.12160	3.1
229.15894	6.5
237.16281	2.1
239.14215	2.3
241.15842	3.8
243.13733	3.5
243.17488	5.7
253.15796	9.9
253.19505	3.3
255.17387	17.6
257.15268	2.3
257.18936	3.7
259.16891	3.5
261.14819	2.3
261.18436	2.7
263.17816	3.0
269.15289	9.2
271.17117	12.2
271.20468	9.8
273.18436	39.9
275.19974	3.6
281.15695	3.3
281.18918	20.8
287.16336	11.3
287.19614	4.1
289.17902	9.4
295.79578	1.9
299.16391	17.9
299.20026	34.6
305.17450	3.2
317.17426	16.9
317.21072	44.7
335.11606	3.5
335.18405	44.7
335.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1847
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
55.05492	4.3
57.07064	0.8
59.05001	0.9
62.16636	0.6
67.05494	1.6
69.07049	7.0
69.35625	0.7
71.04952	1.1
75.88564	0.6
79.05467	4.4
81.07037	11.4
83.04969	22.7
83.08583	4.7
85.06520	1.2
91.05451	3.7
92.16848	1.9
93.07032	8.4
95.04925	1.4
95.08581	13.4
97.06498	3.7
99.04436	0.9
105.07037	7.6
107.08578	11.7
109.06497	9.1
109.10152	9.3
111.04428	1.3
111.08046	5.1
119.04884	3.0
119.08542	12.3
121.06480	10.0
121.10111	11.7
123.08040	4.3
123.11669	6.5
125.05965	1.0
125.09580	1.4
131.08487	6.0
133.06491	1.7
133.10107	13.4
135.08017	8.1
135.11642	3.3
137.09602	3.4
139.11191	1.3
143.08524	6.9
145.06400	1.6
145.10071	12.5
147.08005	16.4
147.11687	7.4
149.05928	3.9
149.09563	6.2
149.13232	1.0
151.11108	3.1
153.05458	3.4
155.08501	1.7
155.31856	0.8
156.09364	1.1
157.10088	14.8
159.08012	1.8
159.11646	11.9
161.09634	5.5
161.13213	3.4
163.07524	1.8
163.11147	1.7
165.05435	18.5
165.12775	1.2
168.09413	0.9
169.10086	5.3
171.07986	1.2
171.11642	12.1
173.09586	6.2
173.13220	14.7
175.07520	1.3
175.11153	5.0
177.05397	1.6
177.09059	1.6
177.12674	1.1
179.07008	4.5
181.10033	1.2
183.11638	8.8
185.09587	1.2
185.13211	5.9
187.07474	1.2
187.11148	7.0
187.14809	1.7
189.09045	1.9
189.12703	5.3
191.06970	3.6
195.11551	6.1
197.09615	3.1
197.13202	7.2
198.76649	0.9
199.11104	4.4
199.14758	1.9
201.09073	4.4
201.12724	3.9
201.16313	1.4
203.14212	1.0
207.11774	1.2
207.13699	1.0
209.13199	4.7
211.11200	3.4
211.14749	7.0
213.12672	4.3
213.16342	4.1
215.10620	1.7
215.14279	3.8
217.12132	2.0
219.10059	1.3
220.12390	3.4
222.14076	1.3
223.14830	1.3
224.15331	1.1
225.12732	0.9
225.16318	9.0
227.14159	1.0
227.17877	1.1
229.12192	5.2
229.15714	5.5
231.13857	1.1
233.11687	4.9
235.14804	9.5
237.16335	3.0
239.14304	5.4
239.17882	1.5
241.12260	1.0
241.15720	1.6
243.13744	1.5
247.13403	1.3
247.16800	1.3
253.15761	9.2
253.19458	3.1
255.17415	1.4
257.15283	9.1
257.18982	1.5
261.14877	1.0
263.14246	3.4
271.16870	8.4
271.20474	5.3
275.16583	7.6
275.19693	7.1
281.15326	13.3
281.18890	7.3
287.19806	1.1
289.17923	3.5
289.21518	1.5
299.16351	52.7
299.19971	13.7
317.17474	100.0
317.21045	18.5
335.18326	11.3
335.22095	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97224	0.4
55.05502	4.1
57.03423	3.2
67.05490	10.9
69.07044	3.3
76.29607	0.5
79.05481	5.9
81.07041	11.5
83.08622	1.8
91.05451	1.1
93.07022	7.6
95.04953	0.5
95.08583	8.4
105.07008	2.4
107.08560	5.0
109.10127	3.9
119.08594	0.8
121.10136	3.3
123.11685	0.5
131.08551	0.6
133.10098	2.3
135.07961	0.9
135.11674	1.0
144.17952	0.6
145.10130	0.8
147.08037	0.5
147.11673	0.8
149.09567	0.6
149.13170	0.8
161.09602	0.6
173.13242	1.2
247.16798	0.7
252.33821	0.5
317.17432	2.9
317.21112	2.6
335.21863	100.0
335.25763	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	335.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29011	1.6
52.95074	1.6
54.83204	1.7
55.05506	9.0
57.03431	9.8
57.07065	2.1
58.77880	2.2
62.10325	1.9
64.46658	1.7
65.28580	1.9
65.28938	2.0
66.68616	1.8
67.05499	25.9
69.07059	3.1
79.05472	15.1
81.07049	36.4
83.04981	2.6
83.08600	5.2
91.05457	4.5
93.07053	21.2
95.08590	34.9
101.81406	2.0
104.73299	2.2
105.07027	5.3
107.08589	14.5
109.06538	3.7
109.10140	18.4
117.07037	4.0
119.08579	11.1
121.10106	17.8
123.11666	3.7
131.08556	5.2
133.10141	11.6
135.08032	2.2
135.11681	8.7
137.09656	2.3
145.10077	5.0
147.08046	5.3
147.11719	3.7
149.13287	3.6
151.11192	4.7
159.11700	4.2
161.13190	3.1
173.13190	3.9
179.10661	15.1
243.21210	3.4
261.22009	2.9
271.20303	3.9
288.53162	2.6
299.19937	4.0
313.24435	2.3
317.20984	3.9
335.21939	100.0
335.25781	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	335.2209
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
52.28911	1.0
53.12228	1.1
55.05491	8.2
59.04991	11.4
61.02903	1.2
67.05492	2.7
69.07053	5.1
71.04965	2.3
79.05444	2.5
80.29202	1.1
80.39022	1.2
81.07041	11.4
83.04948	2.4
83.08591	7.5
88.75265	1.4
89.61736	1.2
91.05437	4.5
93.07024	13.4
95.04946	2.2
95.08575	18.3
97.06529	2.0
97.10143	1.6
99.08087	2.4
105.07032	11.9
107.08576	15.9
109.06496	2.8
109.10152	15.2
111.08061	3.0
111.24935	1.2
117.06978	2.5
119.08557	20.5
121.06480	9.2
121.10111	15.7
123.07972	2.2
123.11675	6.8
125.05956	1.6
125.09629	1.4
129.06931	1.8
131.08545	10.8
133.06451	2.3
133.09158	2.1
133.10103	44.2
133.11104	1.5
135.08026	12.3
135.11679	9.3
135.12560	1.3
137.09567	1.8
143.08516	7.9
145.06483	1.7
145.10098	11.2
147.08025	12.0
147.11661	14.1
149.09558	9.6
149.13179	2.2
151.07524	3.0
151.11137	2.4
155.08540	3.0
157.10103	9.0
159.08014	5.7
159.11655	14.9
161.09584	9.3
161.13222	6.5
163.07480	5.9
163.11151	2.9
165.09024	7.4
168.09384	1.3
169.10069	7.9
171.11646	11.2
173.09538	5.5
173.13174	13.3
175.11183	7.8
175.14743	8.8
177.09050	2.3
177.12698	2.8
179.10753	2.5
181.09943	1.5
183.11647	11.9
185.13187	11.2
187.11165	5.2
187.14755	2.7
189.12740	5.4
191.14351	1.3
195.11688	1.6
197.13170	7.3
199.11217	3.0
199.14786	5.8
201.12711	2.8
201.16302	7.4
205.12227	2.1
209.13205	1.9
211.11102	1.6
211.14722	5.3
213.12653	1.6
213.16362	4.8
215.17818	2.3
219.13785	1.5
223.14761	2.1
225.16177	1.7
229.15926	1.8
233.15268	2.4
235.13229	1.5
237.16287	1.7
239.17813	9.3
240.18849	1.5
241.19560	1.5
253.19496	6.2
257.18924	8.2
263.17874	5.3
269.18918	6.0
271.20374	2.7
277.17935	6.4
281.18887	11.0
287.20038	3.0
289.21677	2.5
299.19983	29.0
317.17319	1.7
317.21024	51.7
335.22079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2209
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
50.59160	1.2
51.00163	0.8
52.47369	1.0
54.69714	0.9
55.05498	1.2
57.07052	1.1
59.78321	0.9
64.96715	0.9
69.07027	1.3
77.17429	1.0
79.05503	1.5
81.07029	7.5
83.08592	1.4
91.05398	1.4
93.07032	2.3
95.08581	7.7
97.06508	2.4
97.29038	1.2
105.07012	4.3
105.42204	1.1
107.08562	6.5
109.06472	1.5
109.10117	6.5
110.13345	1.1
119.08535	8.7
121.10082	7.2
123.07998	2.4
123.11710	2.1
131.08514	7.5
133.10080	8.9
135.08025	11.4
135.11687	1.7
137.09528	1.4
137.13182	1.6
139.11143	2.3
143.08516	1.2
145.10089	5.2
147.08015	55.1
147.11633	4.9
149.09593	1.5
157.10028	4.3
159.08107	1.8
159.11620	7.2
161.09550	2.7
161.13203	6.6
163.11116	1.9
163.14687	1.4
169.10143	1.7
171.11618	5.0
173.09558	5.3
173.13222	22.6
175.11137	4.1
181.10088	1.4
183.11629	1.5
185.13223	4.3
187.11177	4.7
189.12659	1.5
191.14246	5.2
197.13208	5.1
199.11081	1.9
201.12608	2.3
203.14288	2.1
211.11073	1.5
215.14285	4.6
221.13062	1.7
225.12709	1.3
239.14122	1.6
239.17940	1.6
243.13625	1.7
253.19449	7.0
257.18945	2.7
263.17770	2.1
269.18985	2.6
271.20480	4.8
281.18939	22.4
299.19995	27.5
317.21036	45.7
335.22061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2207
Annotation	PGB2
Peak:m/z	Relative Intensity
55.01872	1.0
55.05497	11.8
57.03421	14.3
57.07072	0.8
57.37748	0.7
60.04513	4.0
64.47767	0.9
67.05492	50.2
69.03404	0.8
69.07048	16.0
70.22095	0.7
71.01333	1.9
71.04950	1.6
74.62135	0.9
74.65983	0.8
79.05475	23.9
81.06566	1.8
81.07037	47.5
83.04967	2.0
83.08592	6.7
85.06530	0.9
86.21459	0.7
91.05444	10.0
93.07014	30.1
95.04934	1.7
95.08584	41.7
97.06496	3.4
97.10126	1.8
105.07012	11.0
107.08571	17.7
109.06505	1.6
109.09431	1.4
109.10133	29.1
111.08047	1.7
117.06963	1.4
119.08530	7.9
121.10094	18.9
123.08054	1.1
123.11687	5.8
125.09593	1.3
131.08543	5.0
133.10117	9.4
135.08054	1.2
135.11665	11.8
136.02205	0.9
137.09558	8.0
145.10074	4.1
147.08018	4.2
147.11650	6.7
149.09576	37.1
149.13200	3.5
157.10048	1.4
159.11685	3.6
161.09598	5.2
161.13202	35.6
163.11118	3.6
167.10573	0.9
171.11752	1.0
173.13214	6.5
175.11168	4.6
175.14784	1.0
183.41518	0.9
185.13165	1.4
187.14799	1.5
189.12729	4.0
191.14214	1.3
201.12686	1.7
203.14293	4.9
204.15125	1.5
205.12273	1.1
215.14276	1.4
217.15903	1.1
229.19414	1.1
231.17448	2.1
235.68347	1.0
243.21118	2.0
245.18932	1.4
247.20477	2.1
252.21783	0.9
253.19443	4.4
271.20502	19.7
275.20001	1.0
281.18997	3.6
289.21524	17.9
299.09857	0.9
299.20038	4.3
317.17273	1.4
317.20993	39.9
335.22021	90.0
335.25769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2214
Annotation	CHEBI:68866
Peak:m/z	Relative Intensity
50.82078	0.8
55.05507	1.3
57.07051	1.3
67.05473	1.0
69.03417	1.2
69.07047	6.1
69.52525	1.0
71.04968	1.0
79.05499	1.1
81.07050	7.8
83.04959	1.6
83.08603	1.9
83.90823	0.9
85.06552	1.3
90.48368	1.1
91.05462	1.9
93.07023	5.0
95.04963	1.1
95.08598	10.4
97.06519	2.0
97.10168	1.2
105.07011	5.6
107.08577	11.5
109.06503	3.9
109.10149	7.5
111.08066	1.6
117.07036	1.0
119.08571	12.9
121.06456	2.0
121.10119	9.9
123.08046	1.3
123.11715	1.7
125.09655	1.7
126.86373	0.9
129.06996	1.8
131.08543	9.8
133.06479	0.9
133.10107	10.7
135.08032	12.5
135.11676	5.7
137.09621	3.5
139.11147	1.9
141.06860	1.0
143.08557	4.5
145.10106	6.2
147.08040	44.6
147.11644	6.8
149.09572	5.2
149.13191	2.0
151.58911	1.1
155.08467	1.2
157.10110	4.1
159.08046	1.1
159.11586	6.8
161.09564	6.0
161.13223	6.5
163.11179	1.8
163.14748	1.7
169.10094	5.7
171.11644	5.0
173.09645	7.4
173.13245	21.2
175.11140	3.7
181.10051	1.3
183.11707	6.7
185.13255	3.8
187.07483	1.1
187.11130	4.6
189.12704	1.6
191.14325	5.4
197.13237	5.8
199.11127	2.3
199.14825	1.3
201.12729	2.2
203.14293	2.1
211.14815	2.2
213.12671	1.5
213.16379	1.5
215.14207	7.1
217.12239	1.2
221.13269	1.1
223.14731	1.4
224.15508	1.3
227.14262	1.5
229.15817	1.5
229.19493	1.8
231.84369	1.2
239.14314	1.5
239.17830	1.9
241.15742	1.4
243.17490	1.2
248.15602	1.1
253.19505	7.5
255.17244	1.3
257.15222	1.2
257.18939	8.0
259.20618	1.1
269.18979	3.8
271.20499	6.6
275.20056	4.8
281.18997	17.3
287.19965	1.8
289.21692	1.3
299.16748	1.9
299.20029	27.4
317.17773	1.7
317.21082	41.2
335.18628	4.8
335.22110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2211
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
51.19247	0.8
59.74900	0.7
65.06685	0.9
67.05482	1.3
69.01868	0.8
69.07048	4.7
71.04652	0.9
72.66953	0.8
79.06367	0.8
80.57869	1.1
81.03346	1.2
81.07027	5.6
83.04973	1.4
83.08620	1.2
84.08121	1.2
91.05450	2.2
93.07018	4.6
95.08601	9.9
96.83332	0.9
97.06489	1.7
105.07026	3.9
107.04951	1.5
107.08594	7.9
109.06469	1.9
109.10115	7.5
111.08048	1.2
118.95342	0.9
119.08551	10.7
121.10124	9.2
123.08048	1.1
131.08537	6.6
133.10104	10.6
135.08020	10.6
135.11664	3.8
137.09543	1.1
137.13187	2.0
139.11154	3.7
143.08476	1.5
145.06438	1.0
145.10097	4.4
147.08026	58.4
147.11604	4.4
149.09586	2.0
149.13284	2.0
151.11159	2.2
155.03339	1.0
157.10074	3.9
159.11607	6.6
161.09622	7.4
161.13202	7.4
163.11084	2.0
163.14819	1.5
166.27928	0.9
169.10092	3.8
171.11682	4.7
173.09607	6.8
173.13205	23.0
175.11104	1.1
181.10100	1.1
183.11716	4.7
185.09735	1.3
185.13321	0.9
187.11136	4.9
189.12686	2.1
191.14316	3.5
195.11668	0.9
197.09630	1.2
197.13232	2.2
198.05530	1.6
199.11160	1.9
199.14790	1.7
201.12708	3.7
203.14307	2.0
211.14729	3.1
215.14294	7.2
225.12679	1.6
225.16389	0.9
227.14221	1.2
229.15800	1.3
233.70601	0.9
239.14262	1.7
239.17896	2.2
243.13762	1.0
248.15582	1.5
250.96912	0.9
251.00189	0.9
253.19432	3.4
257.18915	6.8
261.14868	1.2
263.17828	4.1
264.06818	1.5
269.18814	3.8
271.20526	5.0
275.19922	1.8
281.18936	23.4
287.19940	1.2
299.20007	30.3
317.17395	1.3
317.21039	44.5
335.22079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2209
Annotation	5,20-diHEPE
Peak:m/z	Relative Intensity
58.07760	1.2
67.05491	2.3
69.07045	3.5
71.04986	1.9
79.05479	1.6
81.07043	10.7
83.04968	13.8
83.08620	3.2
85.06509	2.4
91.05438	2.3
93.07042	10.6
95.08590	13.2
97.06497	7.6
105.07017	7.2
107.08578	20.1
109.06507	7.1
109.10140	10.9
111.08066	3.1
111.44529	1.4
117.07018	2.3
119.08561	14.8
121.06487	6.6
121.10122	26.2
123.08052	12.1
123.11687	6.4
125.05970	1.6
125.09614	1.6
131.08548	7.9
133.10120	31.9
135.08035	9.4
135.11658	12.6
137.09612	10.7
143.08519	3.4
145.10088	16.3
147.08029	10.2
147.11661	15.6
149.09605	9.6
149.13258	2.2
151.11153	3.3
153.09094	1.9
157.10118	9.1
159.11633	13.1
161.09622	3.1
161.13211	5.8
163.11160	8.6
165.09103	3.3
169.10121	3.1
171.11661	17.0
173.09677	2.0
173.13219	16.8
175.14722	3.1
177.16278	2.2
179.10637	9.3
183.11708	8.3
185.13258	8.5
187.11116	2.3
187.14850	7.5
189.12753	2.0
191.10661	2.2
193.12234	2.4
195.11719	2.5
197.13269	11.6
199.14804	19.1
201.12753	6.9
201.16380	9.0
203.14334	1.6
205.12279	2.3
211.14812	7.1
213.12682	2.0
213.16380	6.0
215.14293	3.3
215.17938	2.6
217.15866	3.0
219.13756	2.7
219.17467	2.8
220.17813	2.1
223.14815	3.2
225.16261	2.8
229.15878	6.3
229.19530	2.9
231.13692	2.7
237.16409	6.6
238.17169	2.2
239.17905	6.5
255.17343	3.2
257.19022	16.0
271.16595	1.8
271.20520	8.1
275.20044	3.6
281.18979	12.2
299.19992	40.7
317.17615	4.0
317.21030	100.0
335.18192	11.8
335.21933	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	335.2577
Annotation	8alpha,13R-Epoxy-14-labden-19-oic acid
Peak:m/z	Relative Intensity
57.03423	9.8
57.07055	5.4
67.05504	47.4
69.07053	8.4
73.07572	4.1
75.40613	3.9
78.57755	3.3
79.05482	22.5
81.07047	53.9
84.65350	4.3
91.05451	5.3
93.07039	32.0
95.08588	38.3
99.31108	3.9
105.07043	19.9
107.08595	29.2
109.10157	20.4
119.08589	3.9
121.10137	24.9
131.08525	5.9
133.10106	7.1
135.11678	15.3
141.16406	4.5
145.10199	4.5
147.11632	7.7
148.51398	3.8
149.13210	8.5
161.13277	7.9
163.14839	6.8
165.12715	5.3
173.13185	6.4
188.10922	3.8
216.93401	3.9
269.83893	4.3
335.22003	8.3
335.25632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05511	9.0
55.16486	0.7
57.03430	12.1
57.07060	1.1
67.05151	1.9
67.05498	42.4
67.47818	0.9
69.07052	11.7
77.77438	0.8
79.05482	15.8
81.06602	1.7
81.07047	38.9
83.08600	5.2
91.05470	10.5
93.07030	26.6
95.08005	1.7
95.08591	41.0
97.06489	1.0
97.10165	1.4
98.98464	1.6
105.07008	4.5
107.08580	13.1
109.10148	17.8
111.08012	1.1
113.94849	0.9
117.06989	1.8
119.08560	7.9
121.10121	11.9
123.11712	5.5
125.09619	1.0
129.05499	1.2
130.81160	0.9
131.08525	4.4
133.10085	4.9
135.11662	10.6
137.13228	1.5
137.15404	1.2
145.10095	5.2
147.11667	4.0
149.13249	6.8
159.11659	4.2
161.13245	4.8
163.14809	1.7
172.19086	1.0
173.02025	1.2
204.09248	0.9
243.21022	4.1
261.22095	5.1
279.23022	1.0
283.29587	1.2
295.21909	1.1
301.87070	0.9
333.52643	1.1
335.25751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2572
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.09664	1.9
55.05505	4.9
57.03424	20.8
67.05493	59.2
67.13863	2.3
69.07034	19.0
70.80556	2.2
79.05476	22.9
81.07044	50.8
83.08594	4.8
86.91881	2.8
91.05454	5.3
91.53242	2.7
93.07016	24.1
95.08587	53.0
97.06496	3.8
105.06999	4.4
107.08590	24.0
109.10100	19.0
119.08555	5.4
121.10133	17.1
125.53481	2.9
131.08568	4.2
133.10106	4.9
135.11664	10.9
145.10094	4.4
147.11545	3.1
228.64140	2.8
268.95645	3.8
335.22119	4.7
335.25793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2243
Annotation	Myristyltrimethylaminium bromide
Peak:m/z	Relative Intensity
52.93817	3.6
53.68957	3.0
60.40631	3.3
67.05501	6.0
69.07058	3.8
76.30230	3.1
81.07055	26.0
82.07368	4.4
83.08588	6.4
90.65419	3.5
93.07015	5.8
95.08578	16.4
96.08934	8.7
101.28182	4.1
105.07013	4.8
108.08914	5.0
108.14845	3.9
109.10123	4.9
119.08568	5.1
120.08868	4.9
121.10085	5.1
122.10468	4.8
131.08492	6.5
132.08894	4.0
135.08073	4.1
136.08443	4.0
146.10466	4.3
147.08031	23.5
147.35869	3.6
148.08342	27.9
149.09596	3.6
173.13283	5.5
174.09900	4.5
174.13553	16.0
178.03712	3.6
195.72958	4.0
231.00633	4.1
282.19125	25.4
300.20413	33.9
318.21426	40.2
336.09317	3.9
336.22385	100.0
336.25952	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	336.2247
Annotation	Myristyltrimethylaminium bromide
Peak:m/z	Relative Intensity
55.12125	0.9
56.23008	0.8
61.25045	0.8
61.46036	0.8
64.04300	0.8
65.82624	0.8
69.07065	1.7
79.05460	1.8
81.07045	5.0
83.08587	1.4
83.49592	1.0
86.96961	1.0
91.05471	1.9
92.05827	1.3
93.07042	2.3
95.08587	5.5
96.08916	2.4
98.84357	0.9
105.07024	2.2
106.07378	1.0
107.08578	2.2
108.08908	1.4
109.10150	2.4
110.06911	1.3
110.10461	2.3
119.08569	7.2
120.08883	5.1
121.10123	4.0
122.10477	3.7
123.08050	1.0
123.11693	1.4
131.08533	2.3
132.08923	2.5
133.10107	5.5
134.10461	4.7
135.08035	5.4
135.11676	1.0
136.08340	4.6
136.12056	1.3
139.11201	1.3
145.10100	1.2
146.05952	1.8
146.10461	4.4
147.08026	32.1
147.11682	2.5
148.08366	28.6
148.12022	2.4
149.09595	1.3
157.10104	1.4
158.10382	1.5
159.11676	1.9
160.08485	1.0
160.12001	2.2
161.09584	1.5
161.13234	2.0
162.09947	2.2
162.13551	4.7
163.11102	1.4
164.15123	1.2
168.07359	1.3
171.11603	1.1
172.12021	4.4
173.09676	1.9
173.13211	10.2
174.09926	3.8
174.13570	17.2
183.11604	1.4
184.12044	2.5
186.13568	1.2
187.11105	1.1
188.11507	1.8
188.15231	1.0
192.14621	2.3
197.13164	1.2
198.13594	2.1
200.11488	2.1
202.13048	4.1
203.14328	1.1
204.14597	3.9
212.11493	1.2
212.15138	1.9
214.13022	1.7
215.14296	1.5
216.14561	3.9
222.13556	1.6
226.16721	1.7
240.18274	1.5
249.15834	1.7
254.19803	5.6
258.19403	2.0
262.15396	1.4
264.18286	4.1
270.19348	4.1
272.20776	5.4
282.19269	24.3
300.16962	1.4
300.20355	33.1
318.17456	1.3
318.21396	45.9
336.22427	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	336.2529
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
55.05514	5.1
57.07056	2.0
58.01423	1.3
58.06573	9.1
58.43521	1.4
60.04499	8.2
67.05497	14.8
69.07047	6.8
70.06569	1.7
71.04949	1.6
79.05495	14.9
81.07047	16.4
83.08611	2.3
91.05460	2.5
93.07035	25.6
94.06544	3.8
95.08576	14.4
96.08104	2.2
96.36745	1.7
98.09657	5.9
100.11275	2.0
104.45299	1.8
105.06998	3.2
107.08553	12.9
109.10120	6.9
110.09686	2.3
111.07988	1.9
119.08581	3.9
121.10136	13.7
124.11226	2.5
133.10127	4.0
135.11661	9.4
136.26410	1.6
149.13225	2.5
157.29942	1.8
175.14914	1.7
177.12740	3.5
194.15341	2.8
197.78136	1.9
212.16429	2.2
260.19919	2.5
276.23157	3.3
277.21561	4.0
278.21100	17.0
294.24207	14.4
319.22107	1.8
336.25284	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	336.289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76870	1.0
66.60069	1.4
67.05466	1.6
69.07036	2.5
71.08605	16.1
72.04488	11.9
73.41965	1.0
78.81602	1.3
81.07034	5.6
83.08627	1.7
89.24054	1.3
93.07020	5.2
95.08586	6.7
99.08066	8.4
107.08570	1.8
109.06489	2.0
109.10078	2.3
114.09133	1.2
115.75728	1.3
156.13814	2.8
165.12637	2.2
170.15366	1.9
175.14717	2.5
212.16483	1.4
238.21581	9.2
291.23145	9.4
336.28876	100.0
341.19531	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	336.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26817	0.8
55.05491	1.6
57.07063	1.7
58.93996	0.8
67.05482	4.7
69.07057	8.2
71.08619	18.1
72.04489	4.3
79.05508	1.4
81.07051	7.6
83.08602	2.1
93.07003	6.4
95.08586	7.2
97.06487	1.9
97.10155	2.2
99.08085	9.1
107.08555	4.8
109.06484	5.4
109.10129	5.0
114.09132	2.4
119.08522	2.3
121.10120	1.9
128.10689	2.3
133.10139	1.6
135.11655	1.9
138.12749	1.5
142.12267	1.7
147.11615	1.6
151.14771	1.3
156.13789	1.7
165.12709	11.4
167.14296	1.5
168.13808	1.1
170.15379	1.4
173.94664	1.0
175.14787	1.6
193.15753	2.0
207.35710	1.1
212.16425	1.3
235.16928	2.4
238.21559	6.4
276.16901	1.1
291.23065	14.5
318.27921	1.1
336.28879	100.0
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
51.77363	4.0
55.05503	31.3
57.07062	28.5
66.31120	4.9
67.05498	41.7
67.94078	5.5
69.07061	64.0
69.19964	5.2
71.08604	6.8
71.53893	4.7
79.05515	6.2
81.07059	83.7
83.08614	70.1
85.10150	6.5
86.08322	5.4
89.05994	5.2
93.07027	13.0
95.08598	86.1
97.06496	7.8
97.10167	48.2
97.22672	5.1
100.07591	11.4
105.07032	8.0
105.88707	5.9
107.08572	13.3
109.10143	50.0
109.18378	4.9
111.08021	8.5
111.11697	10.7
119.08556	6.1
121.10141	21.2
123.11694	12.6
130.68172	5.8
133.10141	8.9
135.11728	6.3
147.11591	7.8
149.13313	6.3
151.09573	6.4
158.84344	5.4
239.55238	5.5
301.28821	38.5
306.13303	6.3
319.29880	62.5
336.32529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90441	0.8
67.57072	0.9
69.36969	0.9
70.06581	2.0
90.71420	0.9
90.98993	0.9
104.55715	1.1
106.07536	0.9
116.07060	1.9
118.08632	2.2
123.41212	1.0
327.72424	1.1
337.08875	100.0
337.17148	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	337.091
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.98607	1.2
57.03427	6.1
65.22574	1.2
71.01347	1.7
73.02911	15.1
78.07253	1.5
79.05499	1.8
81.07033	1.9
85.02888	32.6
95.04958	2.1
97.06547	1.3
101.02353	5.7
103.03904	8.7
104.28545	1.7
105.03373	100.0
107.08571	2.0
109.06458	1.6
113.02344	2.0
113.05955	1.7
120.08058	1.6
123.04413	13.8
130.04900	1.8
131.03358	2.5
141.60876	1.6
147.04413	3.2
159.02815	2.8
171.11673	1.8
179.06990	3.3
267.70490	1.5
308.09192	2.4
319.12836	1.9
322.09442	2.4
337.08984	46.7
337.15411	3.1
337.20029	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	337.1641
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
55.05489	4.5
57.03437	1.1
57.07065	5.6
59.04996	1.5
67.05486	1.6
69.03443	1.3
69.07066	15.7
71.04980	1.8
73.02498	1.1
79.05467	1.7
81.07055	17.0
83.04966	2.8
83.08601	8.5
85.06510	2.2
85.10176	4.6
91.05464	2.8
93.07021	15.1
95.04955	1.9
95.08584	21.6
97.06534	1.9
97.10142	1.9
99.04482	1.7
101.06006	4.6
105.07005	14.8
107.08566	19.0
109.06505	11.3
109.10140	15.6
111.08070	5.1
117.07003	1.7
119.08543	16.3
121.06482	8.1
121.10127	20.1
123.08038	4.9
123.11671	11.5
125.05962	2.4
125.09612	5.2
131.08533	17.4
133.10115	28.7
135.08034	21.6
135.11668	12.9
137.05995	5.4
137.09625	6.1
139.07426	1.3
143.08589	8.4
145.06459	1.8
145.10098	14.4
147.04393	2.8
147.08014	11.4
147.11650	18.0
149.05986	1.6
149.09583	8.4
149.13263	5.3
151.07460	1.7
151.11172	2.5
153.05463	1.9
153.09119	2.0
157.10112	11.9
159.08041	5.3
159.11647	12.8
161.05984	2.7
161.09583	11.1
161.13226	7.2
163.07513	8.2
163.11134	5.1
163.14848	1.5
165.05428	2.0
165.09077	7.7
169.10089	7.3
171.11638	12.0
173.09555	8.5
173.13249	10.5
175.07504	8.2
175.11157	6.1
175.14816	7.8
177.05536	1.3
177.09093	1.4
177.12683	2.7
179.10622	7.6
183.11664	7.0
185.09589	2.2
185.13214	8.4
187.11186	5.7
187.14732	2.4
189.09122	5.4
189.12668	5.5
189.16313	9.8
193.08603	2.0
193.12250	1.5
195.00211	1.2
195.11629	1.8
197.13188	4.8
199.11157	2.8
199.14795	13.2
201.12624	1.6
201.16301	13.3
203.10648	2.0
203.14337	1.9
203.17926	5.5
205.12175	2.6
207.06410	2.2
207.10022	1.7
209.13242	5.5
211.14789	7.0
213.08974	1.5
213.16321	2.1
215.10612	1.6
217.08481	1.7
217.12114	12.0
217.15773	15.0
219.17581	1.6
225.16367	2.8
227.14273	11.9
227.17815	1.6
229.15800	2.3
231.10112	4.9
231.13728	13.3
239.17949	6.7
240.18661	1.6
241.15901	1.5
241.19591	4.7
243.17241	1.7
245.11690	4.0
245.15366	17.6
249.09039	2.9
249.14833	4.6
255.13681	9.7
255.21043	1.8
262.06238	6.6
263.06931	2.5
265.19519	1.9
271.20581	6.5
273.14859	18.6
273.18106	2.2
277.08514	12.3
283.20483	13.7
289.21698	4.9
290.05582	12.4
291.15900	18.9
294.08652	2.2
301.14316	2.1
301.21539	33.7
304.07162	1.4
305.07941	18.5
307.06070	1.3
309.11008	2.1
309.58780	1.3
319.15341	100.0
319.22610	26.3
322.08255	4.9
337.10703	40.6
337.16815	19.7
337.19937	6.8
337.23541	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	337.2002
Annotation	Dihydrorubrosterone
Peak:m/z	Relative Intensity
54.04433	1.5
55.01875	1.4
55.05509	2.2
56.68835	1.3
60.60898	1.5
61.12129	1.5
67.05493	2.2
69.03406	4.0
69.07069	3.2
79.05469	3.7
81.07036	18.1
83.04935	3.1
85.06523	2.0
91.05479	2.8
93.07015	14.5
95.04942	3.2
95.08582	12.9
97.06495	11.7
105.07012	25.5
107.04887	2.4
107.08553	17.0
109.06468	12.8
109.10137	2.9
113.05989	2.9
117.06992	3.3
119.04922	7.9
119.08559	18.9
121.06461	13.2
121.10114	11.3
123.08032	18.3
125.05947	29.5
127.07510	1.7
129.06969	3.7
131.08545	16.5
133.06461	4.0
133.10083	17.0
135.08029	6.9
135.11650	2.2
137.05966	7.0
137.09621	2.1
141.06989	7.8
143.08525	20.6
145.10117	19.7
147.04378	67.4
147.08055	8.0
147.11662	12.1
149.09610	6.1
155.08495	20.5
157.10089	29.4
159.08054	7.2
159.11586	12.5
161.09575	9.0
162.05469	8.9
163.11166	7.4
165.07051	2.0
167.08542	7.1
168.09190	2.4
169.10051	14.8
171.08099	3.2
171.11632	16.6
173.09494	11.9
173.13232	2.9
174.05460	12.8
175.11157	8.9
179.08517	1.9
179.10669	1.7
181.10068	21.0
183.11620	24.9
185.09575	9.3
185.13235	7.8
187.11116	12.9
191.08163	15.3
191.10466	1.7
193.10121	3.6
193.12201	8.9
195.11636	35.5
196.12474	2.6
197.09610	2.0
197.13176	28.9
199.11165	22.0
199.14793	14.0
201.12692	2.4
203.10661	2.8
208.12491	3.0
209.13210	23.2
211.11340	11.7
211.14783	26.3
213.09073	2.0
213.12660	12.3
213.16309	10.9
215.10681	2.6
215.14275	3.4
217.12218	2.5
222.14113	1.8
223.11179	6.4
223.14728	18.6
225.12706	9.4
225.16289	23.8
227.10455	3.0
227.14319	12.5
227.17815	2.7
229.12215	6.8
229.15730	3.2
231.17410	2.6
232.07001	4.0
237.12775	3.9
237.16307	26.4
239.14302	6.4
241.15804	22.7
243.13661	2.8
243.17264	5.3
253.15779	35.0
255.13724	2.8
255.17403	29.2
257.15280	7.0
259.16867	16.1
264.12067	1.8
265.15762	6.5
271.16864	46.6
273.15131	3.5
273.18430	13.0
283.16846	29.1
289.17926	9.3
291.15796	3.0
291.19217	2.5
301.17935	48.2
301.21271	3.2
319.18967	100.0
337.11435	3.7
337.15323	3.8
337.20044	36.1
337.23605	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	337.2008
Annotation	Dihydrorubrosterone
Peak:m/z	Relative Intensity
50.78163	1.5
55.05517	2.6
56.89048	1.7
57.03443	1.4
69.07059	6.9
77.92843	1.5
79.05489	2.2
81.07065	9.3
83.08624	3.6
85.06544	2.4
91.05459	3.8
93.07037	19.8
95.08617	25.1
99.04421	1.6
105.07043	7.9
106.90072	1.9
107.08600	14.7
109.06522	11.5
109.10156	8.5
117.06985	2.9
119.04899	1.6
119.08564	9.2
121.06490	9.3
121.10148	18.6
123.11698	25.6
131.08553	7.4
133.10123	33.4
135.08014	9.3
135.11707	19.0
143.08589	3.6
145.10143	17.2
147.04405	7.4
147.08002	14.5
147.11658	18.4
149.09650	3.2
149.13261	19.3
153.05516	3.5
157.10126	8.3
159.11668	7.0
161.09627	3.6
161.13217	3.5
163.11122	2.7
165.05470	29.6
169.10117	2.7
171.11697	11.3
173.09602	6.4
173.13213	9.1
175.14806	4.3
177.05423	3.4
179.07088	7.1
183.11694	2.2
185.09537	2.2
185.13277	11.3
187.11243	3.0
187.14821	7.5
188.70648	1.6
189.09108	9.5
195.11694	3.4
197.13289	3.9
199.14790	3.6
201.09224	1.8
201.12762	8.9
203.10626	2.1
207.10196	2.2
209.13310	2.5
211.14748	20.8
217.12192	2.8
223.14674	2.3
227.10722	2.1
227.14288	2.0
227.17984	3.1
229.12254	9.8
237.16402	7.6
241.12120	2.3
245.15379	7.3
247.13174	4.2
255.17310	14.7
259.13071	2.3
263.16629	3.8
265.15814	2.6
271.20465	2.4
273.18448	3.7
277.08701	2.0
277.21558	7.5
283.16928	24.5
301.17950	100.0
301.21408	3.8
304.55164	2.3
305.07880	4.0
319.19028	77.0
319.22690	3.3
321.38281	1.7
337.10922	3.1
337.20056	69.4
337.23706	12.0
345.58969	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	337.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33173	1.4
53.39336	1.3
53.72069	1.4
56.08621	1.2
58.06595	5.2
60.08163	89.7
63.17386	1.3
69.07060	16.0
96.67631	1.6
97.06488	1.5
107.04982	1.6
110.13826	1.5
123.04464	1.7
123.85173	1.4
134.52380	1.5
136.07562	32.8
137.58949	1.5
145.02782	1.8
146.05977	6.2
147.04384	2.4
162.05438	20.8
165.05434	14.6
177.05455	2.5
182.08092	13.3
197.42026	1.8
208.06058	3.3
272.46872	1.6
305.07489	1.6
337.09668	2.0
337.14505	7.6
337.21133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2368
Annotation	12,20-diHETE
Peak:m/z	Relative Intensity
55.05503	1.6
56.19669	0.6
60.41150	0.6
67.05482	3.2
69.07048	3.5
73.18953	0.6
74.26003	0.6
79.05473	0.9
81.07048	6.2
83.04957	3.0
83.08607	2.9
85.06525	1.0
91.05476	0.8
93.07039	3.6
95.08583	8.1
95.44576	0.7
97.06516	3.2
97.10174	1.1
100.18585	0.7
105.06989	1.6
107.08574	6.3
109.06485	1.0
109.10145	6.8
110.81011	0.6
111.08048	3.9
111.11729	0.7
119.08553	4.5
121.06518	1.0
121.10136	11.0
123.11703	1.6
131.08484	2.9
133.10112	11.7
135.11688	5.5
137.09612	10.1
137.13206	1.0
139.11139	3.1
140.76892	0.7
144.88986	0.9
145.10068	2.9
147.11670	7.6
149.09596	50.7
149.13237	3.7
149.64853	0.9
151.11192	1.6
157.10141	1.7
159.11685	5.6
161.09595	1.5
161.13234	6.2
163.11165	5.6
163.14732	1.6
165.12692	0.9
171.11639	4.2
173.13231	22.7
175.11134	7.4
180.61180	0.8
183.11674	1.2
185.13203	4.8
186.88048	0.7
187.14810	1.8
189.12769	5.1
191.14301	4.1
199.11174	1.3
199.14780	3.1
201.12721	1.7
201.16342	1.2
203.14328	3.2
205.15839	1.2
209.13182	1.3
213.12761	1.7
215.14232	1.1
215.17960	0.9
217.15791	5.6
223.14809	1.0
225.16048	0.8
227.14259	1.5
231.17378	1.2
237.16148	0.8
239.17946	1.0
241.15994	1.0
241.19496	2.8
245.15236	1.0
245.18932	1.2
255.17288	1.3
255.18599	0.7
255.20982	7.8
257.19040	0.8
259.20590	4.1
263.16449	0.9
265.19424	5.2
271.20462	4.6
273.22241	8.2
283.20486	22.2
301.21609	29.9
319.22641	47.5
319.26410	1.7
337.14880	3.1
337.23663	100.0
340.95599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2366
Annotation	(-)-Stolondiol
Peak:m/z	Relative Intensity
59.06289	3.6
67.05477	6.2
69.03404	4.9
69.07039	4.9
81.07039	29.7
81.43988	3.6
83.04963	6.1
85.06517	9.1
93.07027	35.8
95.08591	32.2
100.14642	4.4
105.07014	9.2
107.04932	4.7
107.08568	38.2
109.06529	7.2
109.10127	27.6
113.05926	4.3
117.07014	5.9
119.08527	36.6
121.06445	5.3
121.10126	34.6
123.08036	16.6
123.11730	10.5
125.09613	10.5
131.08543	22.0
133.10138	17.6
135.08023	19.5
135.11646	10.4
137.13188	5.3
143.08557	6.7
145.10100	18.9
147.04327	8.3
147.08012	6.5
147.11641	7.3
149.09587	8.0
151.03882	4.9
151.11023	4.1
153.09062	5.8
157.10115	5.9
159.06549	4.7
159.11652	22.7
161.06023	5.7
161.09579	22.1
161.13257	10.9
163.11121	7.6
171.11678	10.0
173.13188	9.0
175.11235	4.6
185.13222	9.2
187.11220	5.8
187.14885	5.6
197.13202	5.2
199.14746	7.4
213.12500	5.1
241.19498	5.8
243.17451	7.9
245.15187	4.9
261.18408	6.6
265.19376	7.3
283.20425	17.6
289.21603	9.5
290.05496	4.7
301.18307	13.2
301.21585	31.7
306.12265	5.1
319.19025	8.5
319.22491	72.1
337.10907	5.5
337.15869	8.9
337.20038	21.2
337.23660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	Topsentolide B3
Peak:m/z	Relative Intensity
55.05503	2.5
55.12961	1.2
57.03426	1.4
57.07064	1.6
67.05485	6.2
69.03439	1.3
69.07050	7.2
79.05492	1.6
81.07051	19.8
83.04942	1.7
83.08608	5.7
85.06545	1.7
91.05462	2.3
93.07059	9.3
95.08593	30.0
105.07019	13.7
107.08591	19.6
109.06489	6.6
109.10128	16.7
111.08054	2.7
117.06983	6.7
119.08548	18.3
121.06453	11.0
121.10108	16.1
123.08065	1.8
123.11668	9.3
125.09653	1.5
126.24033	1.4
126.65678	1.4
127.07507	2.0
131.08572	18.0
133.06454	3.0
133.09241	1.5
133.10118	15.5
135.08052	13.0
135.11668	7.7
137.06007	1.4
137.09590	2.6
137.13251	14.5
139.07532	1.4
143.08557	4.8
145.10159	11.3
147.04303	1.7
147.08037	2.2
147.11665	10.4
149.09586	11.7
149.13190	2.0
151.07492	1.8
153.09100	3.0
157.10088	6.7
159.08014	7.1
159.11646	6.4
161.09625	2.6
161.13222	10.6
163.07530	5.4
163.11131	2.1
163.97079	1.3
165.09064	2.1
169.10072	2.7
171.11662	9.8
173.13210	8.9
175.14717	6.0
177.09064	3.1
179.10616	1.5
179.14217	1.7
183.11629	1.8
185.13246	8.1
187.11148	2.4
187.14845	3.1
189.12746	1.7
189.16469	1.7
195.10141	12.7
199.14781	5.9
201.16367	1.4
203.17929	1.6
211.14742	1.3
213.16330	5.0
215.17920	1.3
227.14247	1.8
227.17845	1.3
229.15695	1.5
230.30098	1.3
241.19449	5.3
255.21046	7.8
259.20413	1.8
273.18265	1.8
277.08539	2.7
283.20566	11.9
290.05612	2.6
291.19528	1.7
301.18149	3.4
301.21521	28.4
305.08075	4.6
319.18933	8.5
319.22592	19.3
337.10498	14.3
337.14624	4.1
337.19925	8.8
337.23645	100.0
343.65540	1.4
357.43719	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	337.2367
Annotation	Albopilosin G
Peak:m/z	Relative Intensity
51.84900	3.7
53.51622	4.0
57.69814	4.6
61.10800	4.3
69.29285	4.6
70.99249	4.4
77.14820	4.3
81.07062	11.9
91.05422	6.3
93.07033	18.5
95.08599	25.6
95.97267	6.2
105.07015	25.7
107.08548	24.5
109.06548	6.4
109.10140	11.9
117.53760	4.8
119.08581	26.6
121.06496	10.7
121.10100	23.2
123.08067	5.1
123.11697	31.1
131.08516	7.8
133.10130	56.6
134.60454	5.5
135.08012	35.4
135.11700	21.0
137.05957	9.3
137.09622	6.3
143.08601	6.3
145.10156	8.6
147.04449	10.2
147.08037	12.5
147.11720	8.0
149.05988	7.1
149.09517	7.0
149.13232	10.0
153.09085	5.3
157.10089	9.0
159.11658	9.9
161.09666	7.7
162.06877	5.6
163.11142	9.9
165.09094	35.3
171.11650	9.1
173.13278	9.2
175.14749	38.9
185.13264	9.1
187.11107	9.1
201.12709	19.2
239.17934	5.9
255.94983	5.4
258.55811	9.3
266.06995	5.8
273.18243	6.5
277.08551	7.5
283.20560	27.0
290.05725	9.1
301.18201	10.8
301.21500	90.3
319.19034	15.4
319.22543	100.0
337.10654	34.2
337.14767	73.8
337.19757	51.1
337.23648	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2368
Annotation	12,20-diHETE
Peak:m/z	Relative Intensity
51.25855	1.4
54.82035	1.5
55.05504	4.0
57.03443	1.5
57.07072	1.7
57.18713	1.2
61.19628	1.6
67.05492	2.0
69.07053	8.3
73.08131	1.5
79.05490	1.5
81.07040	10.3
83.08601	13.8
85.06532	6.5
93.07000	13.9
95.08586	22.8
97.10148	2.8
100.03522	2.0
105.07013	12.9
107.08568	28.7
109.05842	1.7
109.06458	11.5
109.10117	15.2
111.08058	10.9
119.08550	19.5
121.06415	3.0
121.10107	21.9
123.08029	3.0
123.11691	15.8
125.05925	2.2
125.09591	6.1
125.55225	1.6
128.66278	1.4
131.08572	12.1
133.10114	51.5
135.08031	11.9
135.11685	20.9
137.09612	12.8
139.11102	1.8
143.08537	3.7
145.10097	14.3
147.08005	3.5
147.11659	27.7
149.09569	7.2
149.13225	9.5
153.09129	2.3
155.08521	3.5
156.97090	1.6
157.10066	11.9
159.11665	18.5
161.09596	7.2
161.13225	14.9
163.11148	7.9
165.09065	1.9
169.10043	11.5
171.11665	14.8
173.09618	6.6
173.13226	10.5
175.11209	3.5
175.14783	10.8
177.12650	2.4
179.10710	7.9
183.11649	8.2
185.13199	17.3
187.11125	2.4
187.14796	3.8
189.12793	3.8
191.14311	8.8
195.11629	1.8
197.13161	13.1
199.11136	3.1
199.14737	14.6
201.12852	1.8
201.16335	33.6
203.17946	10.1
211.14818	4.1
213.12669	2.6
213.16437	2.6
217.12222	2.2
217.15909	2.9
223.14851	2.9
225.16197	3.5
227.14281	4.2
229.15770	5.8
231.09947	1.9
231.13826	3.0
239.17886	26.1
240.18701	3.2
241.15852	2.5
241.19443	17.6
255.17456	2.1
255.20981	6.3
257.18921	2.4
259.20602	9.0
265.19434	9.0
273.18576	2.3
283.20529	32.9
301.21567	100.0
305.08182	2.0
319.15396	16.3
319.22589	45.1
337.10562	6.1
337.16553	3.5
337.19708	3.1
337.23627	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2366
Annotation	5,11-diHETE
Peak:m/z	Relative Intensity
55.05496	3.4
62.81116	1.3
69.07043	7.0
73.84226	1.3
75.64335	1.3
79.05475	2.2
81.07030	9.5
81.07474	1.2
82.55438	1.3
83.04949	2.2
83.08599	16.1
85.06552	2.3
87.47742	1.3
91.05453	5.3
93.07024	13.5
95.08581	23.9
97.06480	2.4
99.04452	1.4
100.24091	1.4
105.07011	13.5
107.08564	21.9
109.06494	9.7
109.10149	16.4
111.08043	9.6
119.08546	18.4
121.06465	6.3
121.10102	20.8
123.07992	6.5
123.11684	19.1
125.05924	1.8
125.09610	7.6
131.08495	13.6
133.10101	54.4
135.08037	7.5
135.11684	22.9
137.05933	1.7
137.09587	10.8
143.08490	3.0
145.10089	13.9
147.08028	9.7
147.11656	24.5
149.09583	11.1
149.13185	9.8
151.11090	2.5
153.09064	2.6
155.08612	2.6
157.10103	12.1
159.11638	20.7
161.09554	7.9
161.13159	11.3
163.11154	6.5
165.09114	2.6
169.10080	8.2
171.11659	13.1
173.09592	2.4
173.13199	14.8
175.11111	3.1
175.14740	10.6
177.12697	1.9
179.10620	7.8
183.11670	9.1
185.13231	17.2
187.11151	2.5
187.14789	8.5
189.12691	2.9
191.14301	3.3
193.12254	1.8
195.11697	2.8
197.13199	17.8
199.14772	12.2
201.12732	2.0
201.16365	37.0
203.14175	1.7
203.17874	12.4
209.13280	2.3
210.14133	2.1
211.14803	10.3
213.16364	5.8
223.14828	1.7
225.16396	6.1
227.17764	2.3
229.15823	9.7
236.15561	1.9
237.16342	3.5
239.17900	32.6
240.18716	7.0
241.15816	2.7
241.19444	17.2
255.20952	10.4
257.18869	3.3
259.20477	6.6
259.31296	1.4
265.19476	7.8
273.18536	2.0
283.20514	36.6
290.05652	2.9
301.21548	100.0
305.08041	3.2
319.18887	5.3
319.22552	54.2
337.10529	8.6
337.14612	3.0
337.20358	3.4
337.23648	78.0
340.34326	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	337.2372
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
54.97994	1.1
66.96240	1.1
69.07044	1.0
77.63338	1.1
79.05466	4.4
81.07063	8.5
83.04911	1.5
85.06532	1.6
87.52277	1.0
91.05453	1.3
93.07047	7.9
95.08588	10.9
97.06472	1.9
97.83071	0.9
98.21751	1.0
101.04944	1.0
105.07007	6.5
107.08598	15.6
109.06474	1.6
109.10151	10.4
109.10781	1.1
111.08053	2.2
112.70181	1.1
119.04936	2.7
119.08545	6.7
121.10129	17.8
123.08048	5.1
123.11658	4.6
125.09585	5.9
131.08540	5.2
133.06448	1.3
133.10132	10.0
135.08017	5.0
135.11682	2.5
137.09595	2.6
139.11153	1.9
143.08548	2.0
145.10089	6.1
147.04405	20.2
147.08028	4.3
147.11668	4.8
149.09596	11.8
149.13280	1.4
151.11194	2.2
153.09056	4.7
157.10092	5.8
159.07999	1.5
159.11659	2.7
161.09637	14.3
161.13181	5.6
163.03717	1.2
163.11136	5.8
169.10107	2.3
169.18156	1.0
171.11649	5.8
173.13268	1.9
175.11096	4.4
177.12773	4.5
179.10667	9.5
183.11697	1.5
185.13222	5.2
187.11179	1.9
187.14801	1.5
189.12677	2.1
191.08051	6.1
197.13235	5.9
199.11208	1.5
199.14873	2.7
201.12764	5.3
203.14240	2.0
211.14763	2.3
213.12871	3.6
213.16350	2.1
215.14301	2.7
221.15636	1.2
223.14781	1.4
225.16176	1.7
229.15846	1.9
241.19511	4.6
243.17555	1.9
253.19395	2.0
255.17462	1.4
255.20932	2.1
257.19040	1.6
259.16702	2.0
265.19434	5.0
271.20566	14.2
283.20581	11.5
289.21597	20.3
301.18335	2.6
301.21552	19.8
319.19077	5.1
319.22623	22.2
337.11060	2.0
337.14966	4.6
337.19931	12.3
337.23660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.07255	0.8
54.56619	0.8
55.05508	17.9
57.03220	0.8
57.03438	13.7
57.07067	2.0
57.87782	0.7
60.39738	0.9
66.94675	0.8
67.05500	36.4
69.07059	26.9
70.38211	0.7
79.05490	7.2
81.07051	44.7
83.08611	14.3
89.35932	0.8
91.05466	6.1
93.07018	9.1
95.08597	41.6
97.06518	3.6
97.10149	6.5
105.06992	5.0
107.08585	7.7
109.10149	21.7
111.08064	1.3
119.08572	4.0
121.10124	5.7
123.11655	6.3
133.10088	4.5
135.11667	1.1
137.13278	1.6
147.11630	3.6
149.13214	1.0
161.13231	1.7
175.14803	1.8
196.01402	1.0
209.25813	0.9
245.22682	1.5
263.23734	2.3
337.27322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.273
Annotation	Subamolide C
Peak:m/z	Relative Intensity
55.05288	0.8
55.05507	11.2
57.03435	10.5
57.07058	1.4
57.33867	0.8
67.05494	26.6
69.06764	0.8
69.07058	16.3
73.75332	0.9
76.41184	0.8
79.05471	7.0
81.07047	30.1
83.08601	10.1
91.05466	3.5
93.07013	8.8
95.08580	25.8
97.06529	1.4
97.10132	3.8
105.06994	3.9
107.08568	3.6
109.10139	11.5
113.95584	0.8
119.08548	3.4
119.20216	0.7
121.10105	3.8
123.11665	1.7
133.10132	1.4
135.11662	1.0
147.11707	1.1
149.13159	0.9
163.08818	0.8
163.14746	1.0
203.17931	0.8
245.22513	0.9
263.23532	1.8
337.27295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2686
Annotation	Melophlin I
Peak:m/z	Relative Intensity
55.05519	2.9
57.03413	2.7
57.07060	2.7
62.05788	4.9
62.06088	100.0
66.47905	1.9
66.83841	2.3
67.05505	16.5
69.07049	10.3
70.18726	2.2
71.08633	34.9
79.05492	9.7
81.07030	19.3
83.08599	3.4
90.38235	2.1
93.07035	15.1
95.08597	21.7
95.62576	2.2
97.06559	4.4
99.08091	23.7
105.06998	4.1
107.08576	11.1
114.28362	2.2
118.13184	2.6
119.08575	3.9
121.10123	4.5
122.96925	2.6
133.10094	3.6
135.11691	11.7
140.66444	2.3
150.39131	2.2
151.11177	5.2
161.13261	9.6
166.52112	2.7
178.04225	2.5
179.14348	10.9
201.69505	2.3
222.18517	23.7
240.19591	19.2
254.93057	2.8
320.25815	89.8
338.23151	4.4
338.27005	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2688
Annotation	Melophlin I
Peak:m/z	Relative Intensity
51.34084	0.7
54.40548	0.8
55.05510	8.3
56.05025	1.4
57.07049	1.5
58.02941	1.6
58.06594	1.7
60.04522	18.5
67.05130	1.4
67.05498	37.7
69.07060	12.6
70.06582	7.3
71.08621	1.5
72.08133	1.4
73.06997	0.8
79.05492	9.0
81.06583	1.9
81.07051	49.1
82.06561	1.8
83.08624	7.5
85.06525	1.2
85.10159	1.0
87.73760	0.9
91.05445	4.2
93.07043	13.8
94.06517	1.8
95.04942	2.0
95.08596	43.3
96.08110	1.7
97.06514	1.3
97.10152	5.1
99.08074	1.0
100.11239	12.8
105.07008	5.5
107.04995	1.0
107.08588	8.5
109.06487	1.7
109.10143	18.0
111.08093	1.5
111.11684	0.9
112.07586	1.2
112.11217	4.7
114.12773	1.4
114.59181	0.9
117.06996	1.6
119.08541	6.0
121.10115	10.0
123.08018	4.0
123.11684	9.8
124.25428	1.1
126.12778	8.0
131.08553	1.7
133.10100	4.3
135.08078	1.3
135.11693	7.6
137.09604	1.4
137.13226	4.1
140.14305	5.5
145.10063	1.5
147.11603	2.0
149.09578	2.1
149.13234	4.7
151.14845	1.5
152.10641	1.6
154.12247	7.7
159.11641	2.0
161.13188	1.4
163.14751	1.4
164.14351	1.1
166.15907	5.8
168.13837	1.8
172.13289	5.1
173.13173	4.4
177.12669	1.5
180.13838	2.1
184.13290	1.2
187.14786	1.3
191.14317	1.0
194.15268	1.2
194.67711	1.0
198.14874	4.4
212.16400	1.1
220.16986	4.4
238.18007	1.9
243.21042	1.2
261.21994	6.1
278.24765	15.9
279.23138	12.5
296.22696	1.2
296.25824	23.0
302.21106	1.6
303.23096	3.8
320.22150	6.3
320.25797	11.1
338.23267	7.7
338.26834	100.0
338.33514	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	338.2688
Annotation	Melophlin I
Peak:m/z	Relative Intensity
55.05505	4.8
57.07055	2.0
58.06589	7.1
58.48785	1.2
58.49072	1.4
60.04531	17.5
66.02538	1.1
66.58495	1.1
67.05501	19.3
69.07059	8.0
76.07640	24.8
79.05464	2.0
81.07058	34.5
83.08608	3.3
83.21403	1.3
91.05482	2.3
93.07022	5.4
95.08602	40.7
97.06508	1.8
97.10140	2.4
105.68580	1.5
107.08566	5.4
109.10162	15.2
119.08535	1.6
121.10145	7.6
123.11699	9.8
127.07570	1.3
131.08542	1.6
133.10144	3.1
135.11658	5.4
137.09599	1.9
137.13200	2.9
137.64809	1.4
145.10175	1.5
147.11740	2.7
149.13138	1.7
154.12259	6.7
158.15350	2.4
159.11751	1.5
161.13205	2.7
173.13222	2.3
180.68327	1.4
181.12140	1.4
187.14656	1.3
196.18242	1.6
202.25352	1.2
227.22418	1.3
261.22156	1.5
279.23029	2.0
296.25845	36.1
320.29526	2.1
338.26898	100.0
338.30399	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	338.341
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
54.96130	1.0
57.07056	1.8
60.83808	0.9
72.08143	8.1
73.58250	1.1
78.90041	1.0
89.72668	1.3
98.04399	1.3
216.01788	1.2
216.32672	1.1
267.29172	1.2
327.13763	1.3
338.34097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.00746	0.3
53.03949	0.3
56.74968	0.3
69.03420	2.3
69.07053	0.4
71.04966	0.5
79.11353	0.3
81.03410	2.1
85.02873	0.6
89.03896	0.4
96.08098	1.4
97.02865	1.6
99.04449	1.2
109.02881	1.4
111.08045	0.4
114.09136	6.3
117.03371	2.7
127.03883	1.8
137.05911	0.4
145.02824	31.7
149.05928	2.2
177.05440	100.0
185.17630	0.3
203.08664	0.4
209.16478	0.3
221.04359	0.5
222.28163	0.3
279.04837	0.4
321.09598	2.2
321.20612	0.4
339.07031	0.9
339.10687	6.6
339.17761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.40878	0.2
53.17079	0.1
63.02345	0.2
81.03370	0.2
81.79742	0.2
83.72380	0.2
85.02883	0.3
85.25208	0.2
89.03875	0.7
95.01295	0.2
97.02846	1.1
104.61242	0.2
109.02898	0.2
117.03350	1.9
127.03927	0.2
130.06508	0.9
131.06842	1.4
136.06175	1.3
145.02817	30.2
149.05907	1.4
158.81537	0.2
167.40126	0.2
177.05423	100.0
180.83466	0.2
195.06453	0.2
321.09457	0.2
339.10626	5.5
339.14294	0.3
356.40833	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	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.65390	0.3
57.03425	0.6
59.71105	0.2
61.56659	0.4
64.43326	0.3
64.72951	0.4
69.03418	3.5
71.04977	0.4
72.78040	0.3
81.03400	0.7
84.08109	0.3
85.02876	1.8
88.50491	0.3
89.03897	0.5
95.02232	0.3
97.02872	5.5
98.97564	5.6
101.02357	0.4
105.32508	0.3
116.98600	5.0
117.03344	3.9
127.03912	0.5
134.99602	2.8
136.06187	2.4
145.02818	38.1
149.05919	2.1
151.03860	1.6
163.03873	0.4
177.05426	100.0
195.06551	1.2
201.36530	0.3
203.94841	0.3
232.96442	0.3
242.49927	0.4
250.97469	0.4
256.96326	3.2
274.97433	14.8
278.16162	0.3
292.98474	8.2
298.09671	0.4
321.09558	1.6
339.10681	11.6
339.14404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.89793	0.5
52.04882	0.4
56.96546	1.0
59.40134	0.5
62.26880	0.4
65.20024	0.4
69.03400	2.7
71.04974	0.6
74.39017	0.5
81.03385	3.7
81.07027	0.7
85.02861	1.2
92.16769	0.6
95.04983	0.6
97.02856	2.9
98.97562	27.4
99.04417	2.3
102.74796	0.5
105.06984	0.6
109.02837	2.2
116.98600	28.7
117.03331	3.6
121.06493	0.5
121.10104	0.6
127.03861	2.3
131.04887	0.6
134.99638	14.8
137.05942	3.1
145.02824	35.0
147.04436	0.7
147.17101	0.6
149.05939	1.3
153.00624	0.6
158.01102	0.6
173.13318	0.6
175.07462	0.7
177.05434	100.0
194.45612	0.6
214.95277	1.1
218.52180	0.6
232.96529	5.1
250.97386	2.9
256.96335	13.5
257.18561	0.5
274.97446	75.3
283.08942	0.7
292.98495	46.1
297.98999	3.4
316.00137	2.3
321.09698	3.0
338.10916	0.6
339.10788	8.6
339.17819	2.0
339.21411	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1068
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03929	0.3
53.75034	0.4
54.60326	0.3
56.22909	0.4
56.96571	0.4
57.03412	0.5
69.03415	4.5
78.58669	0.4
81.03402	6.2
85.02899	5.2
89.03883	1.3
97.02876	4.3
98.97559	4.1
99.04444	0.8
100.68810	0.3
109.02845	2.2
116.43223	0.4
116.98596	3.4
117.03345	6.1
127.03910	2.7
127.34239	0.4
130.20560	0.3
134.03616	0.4
134.99695	1.3
145.02815	54.2
149.05954	3.4
154.11581	0.4
177.05423	100.0
185.41367	0.4
195.06465	1.9
215.14256	0.4
232.96262	0.4
239.94273	0.4
256.96384	2.1
259.23300	0.3
274.97403	6.4
281.22012	0.4
292.98441	5.5
321.09641	5.2
321.20395	0.6
339.10614	10.4
339.14197	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	339.122
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
50.93981	2.2
55.01855	2.6
56.19651	1.9
60.54066	2.1
69.03396	2.8
69.51076	2.0
70.11757	2.3
81.03395	3.0
81.07035	3.9
91.05461	4.2
93.07025	11.9
93.16050	2.4
102.04677	11.3
103.05450	17.5
104.79433	2.5
105.07045	3.5
107.08581	4.4
117.03316	2.2
121.06506	5.4
130.04108	18.6
131.04871	20.2
132.05699	4.3
133.06433	2.8
137.05978	3.0
138.43544	2.5
145.02820	21.7
146.03654	2.8
147.04391	11.1
149.05972	33.8
161.05969	13.6
162.06738	42.5
177.05424	94.0
215.06989	4.9
219.08002	11.4
219.16745	2.5
247.07567	4.2
264.07919	2.7
279.10004	3.0
307.09564	100.0
339.12262	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	339.1226
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
54.65757	1.0
57.03410	1.1
61.89838	1.1
62.13023	1.2
66.06433	1.0
67.05472	1.2
69.03411	6.0
69.07052	1.2
71.04988	1.7
76.03691	1.0
78.15203	1.1
79.92884	1.3
81.03425	8.7
81.07039	1.2
85.02879	5.3
95.08572	1.1
97.02874	1.5
99.04448	2.4
104.42764	1.4
109.02843	2.5
111.04433	1.2
112.66203	1.1
117.03355	5.4
119.08573	1.5
121.10143	1.7
133.10063	2.0
135.04410	1.1
135.08118	1.4
135.11739	1.3
137.05974	9.6
137.09705	1.2
145.02831	53.4
147.04366	4.7
147.11661	1.1
149.05951	1.7
159.08080	4.9
159.11658	1.3
161.13275	1.8
177.05437	100.0
189.05421	1.9
219.08058	6.2
220.08772	2.3
228.29370	1.2
229.08632	6.4
235.07512	2.1
236.08304	4.7
239.18036	2.0
247.07530	4.4
251.10521	14.1
261.09106	2.3
263.06967	2.0
264.07803	12.0
265.08585	2.0
278.09268	2.1
279.10083	6.8
281.08188	4.1
303.19437	6.4
307.09503	10.1
308.10437	2.7
311.12714	23.8
321.09567	9.6
321.20377	1.3
326.77307	1.4
339.12314	40.8
339.21204	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.122
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
53.03917	2.7
55.01843	4.1
55.05503	2.6
57.19369	2.8
81.07006	4.7
84.64264	2.7
88.21523	2.7
92.17416	3.1
95.08624	3.7
97.22128	2.8
105.06991	4.5
107.08595	2.6
109.06427	2.5
131.04945	5.3
131.98837	2.8
132.40123	3.0
133.06435	12.1
137.05962	19.9
147.04420	3.5
149.05978	6.2
161.05914	37.1
162.06831	4.0
163.07413	3.7
165.05464	11.9
177.05434	15.7
183.04443	2.9
184.12253	3.0
191.08511	6.3
215.06973	11.0
218.07301	6.3
219.07983	27.0
220.08806	3.9
233.09464	6.2
235.07478	6.6
236.08284	6.9
246.06674	5.5
247.07425	30.6
248.08185	11.7
250.09944	3.3
251.10686	5.5
257.05905	5.0
259.07449	5.0
261.09082	21.6
263.07001	5.7
264.07745	19.8
274.06296	16.1
275.07040	21.7
278.09222	3.5
279.10199	28.0
289.08548	20.3
292.07251	6.7
307.09537	93.2
311.73041	2.9
339.08475	5.5
339.12161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1224
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
55.01866	7.8
56.01373	1.0
62.06066	1.2
69.03426	2.5
72.10907	1.0
79.05482	2.5
81.03401	6.2
81.07047	2.5
85.02898	2.6
89.03889	1.2
91.05460	2.1
93.07008	1.6
95.08618	1.3
103.05461	2.5
105.07013	2.4
107.08607	2.3
109.06524	5.1
109.69245	1.1
117.03371	2.5
121.06500	2.6
125.05944	1.5
130.03159	1.2
130.04120	4.8
131.04906	9.0
133.06471	4.9
133.10120	1.4
137.05969	38.4
145.02846	35.3
145.03914	2.1
146.03633	2.1
147.04404	2.9
149.05988	9.9
151.03886	2.1
155.04852	1.3
159.11729	2.0
161.05962	20.5
162.06721	10.8
163.07495	1.4
165.05446	20.2
173.13232	1.7
175.07639	1.6
177.05447	87.9
179.10451	1.3
183.04396	2.7
187.07545	2.7
189.05504	2.0
190.07808	1.2
191.07082	1.3
191.08519	9.2
202.07678	1.4
203.08633	1.9
215.06967	12.4
217.06572	1.9
218.07227	9.6
219.08044	18.3
219.09970	1.9
220.08870	1.7
229.06491	8.1
231.08121	4.2
233.09608	5.7
234.06697	2.0
235.07521	8.4
236.08273	6.4
246.06705	18.5
246.08614	1.2
247.07501	24.2
247.11566	1.2
248.08348	6.7
249.09126	5.9
250.10014	1.4
251.10667	5.4
253.08659	1.4
257.05887	8.2
257.15384	1.6
258.06830	1.7
259.07565	2.0
260.08362	1.9
261.09076	47.8
261.11810	1.6
263.06952	11.8
264.07819	14.8
265.08600	5.3
274.06189	27.4
275.06967	14.7
276.07809	2.6
277.08548	12.3
278.09381	12.3
279.10110	15.2
289.08539	40.3
290.09363	6.9
291.06586	5.8
292.07263	5.4
293.08173	1.8
294.08722	2.4
295.09732	4.6
303.16068	2.0
303.22348	2.5
306.08820	20.8
307.09619	52.3
309.07587	4.4
309.11206	2.0
311.12747	2.3
321.11212	57.2
324.09869	2.1
333.53421	1.4
339.12259	100.0
339.18283	2.6
339.24362	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	339.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01651	0.5
58.27201	0.5
60.57072	0.5
62.53547	0.5
65.36465	0.5
69.03407	0.7
80.05424	0.5
82.40224	0.7
85.02888	2.3
116.98592	0.8
127.03892	0.8
132.08066	0.6
143.10182	0.6
148.07553	0.6
160.07536	100.0
162.54910	0.5
167.85474	0.6
177.10173	7.7
188.05914	0.6
189.00668	0.9
219.01697	1.1
274.97391	0.9
276.45898	0.7
322.12775	9.4
339.15427	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	339.2164
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
51.39927	0.5
55.05247	0.5
55.05500	1.6
57.07066	0.9
63.68638	0.5
67.05489	2.9
69.03419	0.9
69.07064	4.8
79.05458	1.2
80.15739	0.7
81.03397	4.0
81.07057	5.4
83.04971	3.6
83.08595	4.2
85.02907	0.8
87.04449	1.5
91.05448	1.0
93.07024	4.7
95.04949	1.5
95.08580	9.7
97.06514	3.2
97.10157	1.0
102.41946	0.9
104.74158	0.8
105.07021	5.9
107.08582	9.9
109.06489	5.5
109.10149	10.9
111.08062	2.8
117.03392	0.6
119.08569	8.8
121.06503	15.7
121.10127	10.4
123.08050	3.1
123.11675	4.9
125.09635	1.2
131.04936	0.8
131.08585	6.2
133.06444	4.6
133.10110	12.1
135.08047	15.3
135.11665	8.0
137.06003	3.2
137.09610	4.2
137.13217	1.0
139.11188	0.8
143.08528	4.0
145.02826	16.4
145.10135	6.3
147.08046	6.0
147.11664	8.1
149.05911	0.9
149.09607	6.6
149.13225	1.6
151.07532	7.8
151.11171	1.5
155.08606	1.5
157.10120	5.9
159.08025	1.4
159.11661	10.4
161.09644	5.6
161.13239	10.2
163.11137	1.5
165.09064	2.8
169.10126	3.1
171.11685	5.9
173.09584	4.1
173.13223	20.6
175.11165	4.5
175.14790	1.3
177.05447	28.8
177.09166	2.7
177.12675	1.1
179.10588	1.6
182.11073	0.8
183.11676	4.8
185.09563	1.0
185.13284	4.8
187.11174	4.2
187.14752	1.3
189.12721	2.8
189.16429	1.0
191.14258	3.1
191.17992	0.8
193.12206	0.8
195.11650	1.0
197.13266	5.7
199.11095	1.2
199.13150	0.7
199.14777	5.5
201.12715	3.4
201.16368	3.1
205.12187	1.3
209.13234	1.2
211.11049	0.8
211.14658	2.4
213.16356	1.6
215.14294	2.9
215.17958	2.9
217.12186	0.9
217.15892	1.3
219.13780	1.3
223.14787	1.3
224.15649	1.2
225.16338	5.0
227.14249	1.4
227.17853	1.1
229.15681	1.0
229.19464	1.0
234.13921	1.0
237.16345	2.9
238.47716	0.7
239.17960	8.1
241.15990	1.1
241.19617	0.8
243.17369	4.5
245.15370	0.8
247.16974	0.7
249.16359	3.4
255.17418	3.6
257.19003	8.6
261.18628	1.5
261.37552	0.7
265.14371	1.1
267.17426	7.9
267.20645	1.4
273.18488	2.7
275.19974	4.9
285.18457	19.8
285.22037	3.8
303.19519	19.3
303.23123	9.4
321.09738	3.1
321.20581	43.9
321.23969	2.3
339.12079	3.0
339.21622	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	339.2162
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
51.09433	0.4
57.87788	0.5
58.62841	0.6
66.35313	0.6
67.05485	1.3
69.03405	1.5
78.05202	0.6
78.26555	0.5
79.05478	0.5
79.19299	0.5
80.06255	0.6
81.03387	1.2
81.07025	5.3
85.02880	0.7
85.06542	0.8
91.05460	1.0
91.16869	0.6
93.07030	3.7
95.08582	4.0
97.06522	2.5
99.04431	1.2
105.07020	3.8
107.04995	0.6
107.08562	4.6
109.02895	1.0
109.06492	3.6
109.10140	3.2
111.08042	1.1
113.05994	0.7
117.03360	0.8
119.04873	2.4
119.08546	2.8
121.06491	1.0
121.10138	4.0
123.08051	2.9
125.09621	1.0
127.03872	0.8
131.08560	3.9
133.06488	1.3
133.10126	6.3
135.04431	0.7
135.08043	3.8
137.05933	7.7
137.09557	1.3
143.08517	2.5
145.02824	18.3
145.10123	2.3
147.08023	0.8
147.11681	2.4
149.05997	0.7
149.09570	2.9
151.07498	4.4
155.08534	1.2
157.10074	4.2
159.08034	2.8
159.11664	1.4
161.09621	1.4
163.11084	0.7
165.09035	1.0
169.10039	5.1
171.08061	0.9
171.11696	4.6
173.09599	2.6
173.13225	1.1
175.11133	1.3
177.05428	43.3
183.11699	4.5
185.09518	2.1
185.13219	1.3
187.11226	5.8
189.12807	0.7
195.11667	1.1
197.09572	1.1
197.13176	4.2
199.11182	3.3
199.14799	3.2
201.12717	2.6
207.11678	0.8
209.13153	0.7
210.99820	0.6
211.11235	3.3
211.14685	2.0
212.11932	1.1
213.12692	8.3
213.16290	1.2
215.14264	1.0
215.17935	0.9
223.14833	1.4
224.15546	0.7
225.12764	8.1
225.16293	8.0
227.14297	7.5
229.12187	2.3
237.16241	1.1
238.13441	1.1
239.14182	5.1
239.17947	2.9
241.15794	6.7
243.13756	1.4
243.17432	7.6
249.16362	2.2
255.17351	7.1
257.18988	3.7
259.16766	0.9
267.17371	14.7
273.18564	2.7
275.20016	1.4
285.18408	15.7
303.16290	0.9
303.19495	21.1
321.09784	2.7
321.20538	100.0
339.10709	4.5
339.17963	1.0
339.21655	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	339.289
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.00288	0.5
55.05513	20.2
55.75896	0.4
57.03185	0.7
57.03437	14.6
57.06822	0.7
57.07076	12.8
67.05154	0.8
67.05499	18.8
69.07062	44.5
69.42244	0.5
71.04970	0.6
71.08624	6.9
79.05492	7.1
81.06602	0.9
81.07050	20.6
83.04970	0.7
83.08114	1.0
83.08614	28.9
85.10167	2.6
87.57924	0.4
88.08038	0.5
89.45673	0.5
93.07028	10.2
95.08593	22.2
97.06509	3.1
97.10157	16.9
99.08060	0.6
107.08582	7.1
109.10144	11.1
110.46144	0.5
111.08059	3.3
111.11690	2.2
114.21426	0.5
121.10120	11.8
123.11678	2.4
125.09585	0.7
135.11662	8.3
137.13246	0.7
139.11188	0.9
149.13231	4.0
166.38376	0.5
175.19872	0.5
247.24263	1.0
265.25122	2.7
269.03156	0.6
339.28900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51238	1.4
55.05502	10.5
56.05831	1.5
57.03426	2.3
57.07066	5.5
62.06086	100.0
62.06409	3.3
63.14528	1.3
67.05489	18.1
68.05839	2.0
69.07060	27.1
70.07388	2.6
71.05014	1.4
77.57548	1.2
79.05481	8.9
81.07048	20.8
82.07389	3.0
83.04961	1.6
83.08603	10.0
93.02860	1.3
93.07034	8.4
94.45738	1.3
95.08582	14.4
96.08118	37.4
96.08746	2.0
97.06509	2.0
97.10159	5.7
99.05132	1.5
105.07021	1.9
107.08573	13.1
109.10143	11.4
111.67330	1.3
113.10745	19.4
114.09155	43.3
116.05659	1.3
119.08559	2.4
121.10118	6.8
122.10525	1.6
123.11639	1.5
124.11217	5.4
130.02296	1.3
130.04587	1.4
131.33591	1.4
133.10097	2.2
135.11699	3.1
147.11624	2.5
170.11746	2.1
196.13295	17.4
209.16470	67.7
214.14322	12.7
217.00967	1.3
217.46509	1.3
226.19118	8.5
227.17525	24.4
228.15793	2.0
284.17255	8.3
299.65393	1.6
322.24054	24.9
322.28128	24.5
323.25916	2.4
332.50317	2.0
340.25833	63.7
340.28757	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97430	0.8
55.05506	8.4
56.04585	0.9
56.05030	2.3
57.07063	6.0
58.02953	6.5
58.06593	1.7
59.06156	1.0
60.04525	13.3
67.05508	11.6
69.07063	22.2
70.06583	26.1
71.08621	2.6
79.05486	2.5
81.07056	23.2
81.75702	1.1
82.06570	5.0
83.08619	12.3
84.04507	10.6
91.05474	2.3
93.07024	5.6
94.06601	1.4
95.08597	22.9
96.08121	4.2
97.06567	1.6
97.10157	10.1
107.08605	2.1
109.10135	13.4
111.07957	1.1
114.09178	2.4
119.08556	2.5
121.10110	4.7
123.08070	2.2
123.11686	1.5
128.14314	1.1
133.10094	2.2
134.54054	1.1
135.11700	4.9
142.15952	7.5
145.10109	1.2
147.11681	1.3
148.26382	1.4
150.52188	1.4
152.14297	2.7
154.12257	1.8
162.12816	2.8
163.11221	1.8
168.17445	39.2
180.13808	12.6
198.14861	32.0
209.16553	5.5
227.17543	1.5
278.24860	4.6
278.78046	1.2
280.26266	13.8
298.27350	22.6
322.24164	8.6
322.27542	4.9
340.28528	100.0
349.27127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.54272	0.6
55.01868	0.7
55.05513	0.6
60.71032	0.6
65.41917	0.7
69.07046	1.5
76.31816	0.6
79.05479	1.6
81.07027	1.6
87.75791	0.6
91.05463	1.5
91.28743	0.6
95.04887	0.7
95.08569	0.8
96.08104	5.6
99.04459	0.9
103.05429	0.9
105.07027	10.9
107.04931	1.0
107.08564	1.3
109.06486	3.3
111.08085	0.9
113.10764	2.8
114.09148	19.6
114.11079	0.8
115.05444	2.6
115.09520	6.5
119.04963	1.0
119.08548	1.5
121.10112	0.8
122.03645	1.2
129.07001	1.5
131.04918	2.7
133.02838	0.9
133.06491	10.2
137.05957	100.0
145.06398	0.8
147.04378	3.8
147.08031	4.3
149.05951	1.6
151.03976	0.7
151.07510	1.1
155.04916	1.2
159.08046	3.9
160.05174	0.7
161.05956	18.8
162.06706	1.0
163.07513	1.6
172.05136	1.5
175.07509	27.7
177.09062	0.8
179.07057	1.5
187.07521	15.7
189.09084	2.8
191.08522	5.2
199.07439	5.5
203.08543	2.8
209.16443	3.3
210.16748	6.4
217.08534	3.3
219.08029	9.8
220.08882	1.3
228.17859	1.3
231.07997	5.3
232.08861	1.0
236.08313	2.7
247.07452	5.0
248.05867	0.8
248.08363	4.6
249.09227	0.8
251.10623	21.2
259.07605	3.4
260.08310	1.0
261.09006	0.9
263.10587	4.1
264.07629	1.5
265.08627	1.3
276.07849	2.8
277.08664	1.4
279.07214	1.1
279.10068	11.2
280.10727	1.2
281.08145	1.3
291.10022	5.4
292.11072	1.1
293.08197	0.9
296.10278	2.5
309.11209	4.8
311.12662	22.8
315.01846	0.7
323.12723	6.7
323.18350	1.1
323.25186	5.9
341.13828	8.4
341.26196	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	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50383	0.3
55.01870	0.4
65.03925	0.4
69.07049	0.6
72.08144	0.9
74.61206	0.5
77.50509	0.3
79.05476	0.5
81.07069	1.4
84.25895	0.4
91.05453	0.8
94.04184	0.6
96.08101	0.6
103.05449	0.4
105.07030	3.5
107.04935	0.8
107.08517	0.5
109.06493	1.9
109.10126	0.6
112.52627	0.5
113.10715	0.6
114.09144	2.3
115.05408	0.7
115.09512	0.9
119.08560	2.1
122.03627	2.4
129.06937	0.9
131.04919	0.7
132.05664	0.8
133.06464	6.0
137.05962	100.0
143.04927	0.4
143.06021	0.5
145.06389	0.5
147.04378	2.0
147.08032	3.5
149.05954	1.0
151.07506	0.5
155.04929	0.5
159.08040	2.4
160.05199	1.0
161.05942	10.6
163.07494	0.5
171.07979	0.8
172.05217	1.0
175.07516	28.9
177.09076	0.8
184.05014	0.6
187.07518	8.7
189.09026	0.4
191.08527	5.0
199.07504	9.6
202.07779	0.7
203.08525	3.0
208.08861	0.5
210.16870	3.0
217.08537	0.7
218.07281	0.7
219.07997	10.3
220.08701	0.6
228.17572	0.6
231.08022	5.6
233.09647	0.7
236.08345	1.9
247.07536	5.0
248.08359	3.0
251.10626	20.5
259.07446	3.3
260.08276	2.0
261.09088	0.9
263.07065	0.4
263.10590	2.8
264.07800	2.0
265.08481	0.7
276.07767	1.9
277.08588	2.7
279.10123	11.7
280.10837	0.5
281.08136	0.7
291.10016	4.6
292.10910	3.0
293.08041	0.7
295.13092	0.4
296.10245	1.7
309.10977	0.5
311.09128	0.7
311.12711	20.1
323.12717	6.3
323.25061	3.3
341.10242	0.6
341.13748	3.9
341.17261	0.9
341.26279	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	341.1381
Annotation	Moracin T
Peak:m/z	Relative Intensity
55.28439	0.2
56.13281	0.2
56.82146	0.2
72.15344	0.2
76.54634	0.2
79.05470	0.6
79.37630	0.2
81.07030	0.4
91.05452	1.6
94.04152	1.1
103.05421	0.4
105.07006	5.4
107.04976	0.4
109.06517	3.1
114.09164	0.6
115.05417	1.2
117.06995	1.2
119.08566	3.0
121.06504	0.3
122.03604	2.6
123.04456	0.3
128.06198	0.3
129.06989	1.7
131.04909	1.2
132.05698	1.0
133.06479	5.6
137.05962	100.0
137.40538	0.3
143.04938	0.3
145.06462	0.5
147.04346	0.5
147.08003	3.2
149.05957	1.4
151.07458	0.4
155.04869	1.2
157.06418	0.5
159.08012	3.2
160.05130	1.0
161.05942	11.2
161.07268	0.5
163.07440	0.3
163.08698	0.3
171.08017	1.1
172.05139	1.3
175.07512	29.0
179.07007	0.5
184.05159	0.3
185.05927	0.4
187.07515	9.8
189.09088	0.6
190.07785	0.4
191.08546	5.5
199.07509	9.3
201.06917	0.3
202.07823	1.5
203.08513	3.3
208.08658	0.3
209.16409	0.3
216.30228	0.3
217.08597	0.4
218.07280	1.4
219.08022	12.9
220.08812	2.3
231.07990	5.8
232.08801	1.4
233.05785	0.3
233.09537	0.4
235.07526	0.3
235.11201	1.0
236.08231	1.8
246.06624	0.4
247.07466	4.5
248.08273	3.0
249.09030	0.5
251.10629	19.4
253.08537	0.3
259.07477	3.7
260.08212	2.1
261.09113	1.5
263.07245	0.5
263.10632	4.1
264.07776	2.4
265.08618	1.1
276.07758	2.8
277.08582	4.2
279.10104	10.5
280.10956	1.4
281.08218	1.8
291.10098	4.3
292.10876	2.6
293.07925	0.4
295.09927	0.3
295.13306	1.3
296.10242	2.1
308.10535	0.5
311.12720	23.6
323.12704	6.0
323.25153	0.4
341.13672	3.0
341.26172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
54.49153	0.3
54.79000	0.3
56.14457	0.4
63.47139	0.3
67.05487	0.4
70.63599	0.3
71.04971	0.3
71.26537	0.3
73.65833	0.3
79.05471	0.4
79.39493	0.4
80.40997	0.3
81.07063	0.7
88.71782	0.3
91.05478	0.9
92.16857	0.5
94.04166	0.4
94.85851	0.3
95.04962	0.5
96.08121	1.5
97.08487	0.3
103.05432	0.4
105.07036	3.6
107.08530	0.4
109.06489	2.9
109.10159	0.4
113.00002	0.6
113.10771	0.4
114.09183	2.5
115.05428	0.4
115.09501	0.6
117.06991	0.6
119.04910	0.5
119.08574	3.9
121.06530	0.7
122.03629	2.0
128.06213	0.5
129.06979	2.4
131.04922	0.7
131.08543	0.5
132.05692	0.9
133.06453	4.7
133.10231	0.4
137.05971	100.0
143.04932	0.6
145.06480	1.7
147.04347	3.1
147.08040	4.6
149.05946	1.9
151.04057	0.4
151.07509	1.7
155.04884	1.7
157.06454	0.6
159.08020	3.0
160.05209	1.3
161.05954	11.8
162.06651	0.6
163.07433	0.7
171.07988	0.3
172.05150	0.7
175.07524	35.7
177.05391	0.5
177.09100	2.4
179.07140	0.6
185.05983	0.5
187.07529	9.3
189.09148	1.7
191.07028	0.7
191.08569	5.7
199.07574	3.1
202.07712	0.8
203.06973	0.7
203.08630	0.8
208.08838	0.5
209.16516	0.4
210.16786	3.2
217.08522	1.2
218.07227	0.4
219.08028	14.4
220.08786	1.9
228.17921	1.9
231.07997	3.9
232.08760	0.6
235.07440	0.5
236.08253	3.0
247.07510	7.5
248.08258	2.4
250.09882	0.4
251.10622	24.4
259.07492	2.3
260.08289	1.5
261.09134	0.6
263.10645	2.1
264.07761	2.4
265.08661	2.1
276.07874	1.5
277.08600	1.7
278.09366	0.4
279.10129	12.9
280.11157	0.5
281.08179	2.2
291.10260	3.7
292.10892	0.7
295.10034	0.4
295.13260	0.5
296.10471	3.1
309.11237	1.6
311.12738	28.9
323.12674	5.9
323.25217	3.2
341.10098	0.8
341.13751	12.0
341.19620	0.7
341.26196	7.3
364.21671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1373
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.53032	0.8
55.01870	0.8
63.71989	0.9
65.59505	0.8
79.05486	1.1
80.52673	0.9
90.03239	0.9
91.05441	3.4
96.08112	3.7
103.05426	1.2
105.06999	14.9
109.06496	1.4
114.09137	6.1
115.05432	3.6
119.04938	1.4
119.08526	1.7
121.06507	1.2
122.03633	2.2
129.06969	2.2
131.04883	1.5
132.05725	1.1
133.06453	18.4
137.05937	100.0
143.04929	1.3
147.04373	5.1
147.07967	4.1
149.05959	1.1
151.07495	1.8
153.05516	0.9
155.04918	1.1
157.06387	1.7
159.07994	4.6
160.05174	1.2
161.05925	33.4
162.06744	1.7
172.05153	6.3
175.07484	40.7
187.07489	28.2
189.09047	4.7
191.08472	5.3
199.07489	3.9
203.08583	3.2
209.16470	2.0
210.16820	4.1
211.05414	1.0
211.07416	1.5
217.08527	7.6
219.08020	10.6
227.17381	1.2
231.08034	5.0
233.05838	1.1
236.08228	1.3
237.09070	1.7
247.07516	6.0
248.08249	3.5
251.10556	17.9
253.70515	0.9
259.07501	1.2
260.08151	1.3
263.10651	3.7
264.07642	2.0
265.08441	1.7
270.08792	2.0
271.09457	1.1
276.07864	2.0
279.07205	1.4
279.09998	12.6
281.07977	1.0
291.09988	8.4
293.08240	1.0
296.10345	1.9
309.11215	3.8
311.12680	25.7
323.12659	10.5
323.25012	3.4
341.13901	15.9
341.26166	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	341.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76813	0.8
60.52245	0.8
69.07051	4.2
74.85793	0.8
79.05476	1.1
91.05482	1.0
93.07005	1.0
94.04106	1.0
94.70283	1.0
96.08104	10.6
97.08419	1.6
99.04426	1.3
102.75073	0.9
105.06985	5.2
105.07608	0.9
107.04962	0.9
107.08543	0.9
109.06469	1.9
113.10748	3.5
114.09138	51.0
115.09480	12.6
119.08520	2.1
129.06998	1.0
131.04906	1.7
133.06441	5.0
137.05949	100.0
138.96106	0.9
145.06493	1.4
149.05904	1.8
150.27052	0.9
151.03932	1.1
151.07544	1.6
151.69342	0.8
155.04881	0.9
157.06416	1.2
159.08076	1.0
161.05925	8.7
166.50684	0.9
171.08002	1.2
175.07501	22.2
187.07489	12.5
189.09013	1.8
191.08554	3.9
192.67848	0.8
199.07440	7.6
203.08582	2.1
209.16536	8.2
210.16771	6.7
211.07420	1.4
217.08487	1.9
219.07999	9.1
226.19171	1.0
227.17355	1.9
228.15932	1.2
228.17902	1.6
231.07997	6.8
236.08217	1.2
247.07480	2.1
248.08292	5.3
248.80971	0.9
251.10599	17.2
255.06427	1.7
256.07571	1.5
259.07489	5.5
260.08243	1.5
263.10724	6.8
264.07925	1.0
270.08832	6.6
271.09601	3.8
276.07770	4.2
277.08395	1.8
279.10065	11.0
281.07840	1.2
291.10092	9.8
295.09573	0.9
295.13199	1.0
296.10269	1.2
311.12720	19.7
322.24808	1.4
323.12616	10.1
323.25183	6.6
331.75494	3.5
340.75977	5.0
341.13898	6.0
341.26044	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	341.1378
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.14165	0.5
55.25671	0.6
60.87723	0.6
69.07069	1.2
70.04067	8.4
71.05005	0.6
75.29681	0.6
79.05515	0.7
79.08410	0.6
81.07027	0.9
91.05466	2.6
92.29861	0.7
95.04967	0.8
95.08620	1.5
95.81759	0.6
96.08121	1.1
103.05472	1.1
105.07024	5.8
109.06519	2.8
114.09149	2.6
115.05423	1.2
119.04945	2.8
119.08533	3.4
122.03654	1.6
129.06969	1.1
131.04924	0.9
131.08592	0.8
132.05714	0.9
133.06526	5.3
137.05962	100.0
145.10144	1.0
147.04387	2.6
147.08041	4.9
149.06024	2.8
151.07506	1.3
159.08057	2.6
160.05167	0.8
161.05949	13.9
162.06789	1.2
163.03934	0.9
163.07541	0.8
168.14946	0.8
171.08000	0.9
175.07512	25.4
187.07503	10.7
189.08984	2.6
191.08488	5.3
199.07509	7.2
203.08537	3.9
209.16530	1.6
210.16670	1.6
217.08554	1.3
218.07047	0.7
219.07991	11.6
220.08794	1.5
228.17780	1.2
231.07964	5.9
236.08194	1.3
247.07463	5.8
248.08334	3.2
251.10608	20.1
259.07507	4.2
260.08224	1.2
263.07230	0.9
263.10617	3.9
264.07751	1.6
265.08633	0.8
276.07816	3.1
277.08578	3.9
278.91666	0.7
279.10114	11.9
280.10757	1.0
281.08200	1.2
291.10138	6.8
292.10849	1.3
296.10416	2.9
305.12277	0.8
309.11108	7.3
311.12695	18.8
323.12732	6.3
323.25031	3.3
341.10254	2.2
341.14005	8.6
341.26239	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	341.3042
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
51.04718	2.1
55.05508	5.7
56.68885	2.2
57.03423	18.9
57.07059	52.0
67.05479	5.6
69.07044	11.8
71.08607	42.8
81.07037	12.6
83.08606	5.5
85.10156	19.6
85.12048	3.1
95.08603	26.5
96.08103	4.3
97.10111	5.6
99.40234	2.6
107.89243	3.4
109.10109	5.7
114.09104	3.9
121.10099	3.1
126.33928	3.1
149.09666	2.9
209.16519	4.6
210.16867	6.9
219.52393	3.2
260.26434	3.0
323.25247	11.7
341.26163	19.0
341.30447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43980	0.2
52.59267	0.2
57.07072	0.2
59.06109	0.3
65.32409	0.2
67.05524	0.2
67.13293	0.2
70.06583	1.0
72.29237	0.2
81.07039	0.5
84.39307	0.2
85.07658	100.0
87.05586	0.3
87.09224	0.4
95.08559	0.4
103.69737	0.2
114.09166	0.3
210.16824	0.4
265.94046	0.2
270.24033	0.3
323.25189	1.0
341.26505	1.2
341.28754	0.8
341.32056	2.1
362.61108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1554
Annotation	His-Trp
Peak:m/z	Relative Intensity
56.15741	0.5
70.06554	0.6
77.81297	0.5
82.75639	0.4
83.06085	5.2
89.89846	0.5
93.04504	2.6
93.12152	0.5
98.97552	0.8
110.07140	100.0
130.06502	0.6
136.07297	1.1
138.06615	2.9
153.98409	1.1
156.07741	3.8
159.09140	3.0
165.07747	0.7
169.07594	1.2
188.07068	3.0
195.08713	0.7
234.01074	0.7
282.03372	0.6
296.15057	1.1
300.04007	0.7
324.14453	4.7
337.58722	0.6
342.11536	3.6
342.15506	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	342.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93383	1.8
57.07076	3.8
60.08146	5.6
70.06571	3.1
70.90598	1.9
79.76294	2.2
85.02883	5.0
85.06484	2.4
86.09687	30.7
86.67127	2.3
99.08031	2.1
104.10732	89.1
109.06496	3.4
111.89049	2.3
116.06992	2.2
117.09109	12.7
124.99969	11.3
127.07550	3.7
130.81575	2.1
135.85861	2.5
136.60814	2.3
137.88684	2.5
159.10144	21.3
180.03729	2.8
184.07314	100.0
212.63574	2.3
324.15915	2.9
324.25452	4.3
342.16861	44.0
342.26617	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30293	2.8
53.85952	3.1
55.05500	17.5
57.03432	26.7
57.07071	6.6
59.80889	2.8
61.00652	3.2
62.98247	6.4
63.35570	2.9
65.99357	2.6
66.76019	3.3
67.05504	25.3
69.07058	17.2
71.04971	7.4
71.08618	5.8
79.05499	27.4
81.07044	42.6
82.81476	3.1
83.04951	5.1
83.08609	16.4
91.05466	15.5
93.07030	40.7
95.08601	39.8
97.06552	5.9
97.10172	21.8
105.07026	20.9
107.08572	40.7
109.06493	4.3
109.10144	22.2
116.45471	3.5
117.06982	5.6
119.08577	25.4
121.10143	30.3
123.08064	5.2
125.09609	19.6
131.08546	17.8
133.10143	20.4
135.08075	4.2
135.11702	7.0
145.10092	13.9
147.11642	14.5
149.09657	5.3
155.10692	3.6
159.11658	12.9
161.13130	5.3
173.13220	5.2
175.14821	4.3
177.12555	4.1
183.92751	3.3
185.13261	3.3
243.56934	3.3
255.21059	6.5
275.20029	18.8
281.25256	3.4
283.26291	5.6
289.21469	3.8
301.21448	24.0
319.20917	4.0
324.19870	4.1
342.20914	100.0
342.30551	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	342.299
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
52.71280	1.8
54.81667	2.1
55.05515	1.8
62.05775	3.7
62.06077	100.0
67.05492	3.7
68.65379	1.5
69.07047	3.8
70.04045	2.4
72.75592	1.8
76.54077	1.8
76.56140	2.0
78.08662	2.0
81.07053	9.8
83.08611	2.7
93.07027	3.5
95.08573	10.4
97.10170	3.7
105.07011	3.2
107.08591	4.0
109.10133	8.8
117.97614	2.1
133.06461	4.8
145.10324	1.8
169.41167	2.0
213.12682	3.4
241.12051	4.1
255.21021	13.1
301.17703	2.6
301.21536	8.7
306.28040	3.4
324.28958	17.6
342.14053	2.5
342.20667	2.5
342.29953	52.2
344.99057	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	342.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
57.07064	6.5
67.05484	3.2
69.03410	1.1
69.07043	1.3
71.08604	7.3
71.78371	0.6
74.25556	0.6
79.05448	0.7
81.07030	4.2
83.08594	1.5
85.10157	3.3
86.06042	100.0
87.04436	13.1
92.17458	0.7
93.06998	0.8
95.08576	4.1
104.07078	24.6
105.06940	0.6
107.08500	0.7
109.10136	2.6
119.08506	0.7
121.10171	0.7
224.29907	0.7
324.21155	0.8
342.26321	1.2
342.29987	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	343.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05719	0.4
62.41592	0.4
88.58994	0.4
107.79005	0.4
126.64569	0.5
163.73479	0.4
181.57375	0.4
183.00040	0.4
215.96169	0.4
219.01973	4.9
220.02188	0.5
234.99889	0.8
258.99991	3.2
261.02957	4.1
264.96313	0.5
264.98553	3.2
271.72748	0.5
277.00864	2.1
282.99918	86.8
301.00964	100.0
319.01996	4.9
325.00958	11.2
343.02002	47.4
361.03067	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	343.1168
Annotation	UWM6
Peak:m/z	Relative Intensity
54.90098	4.3
56.76570	4.0
78.47297	5.6
81.07057	5.2
83.90848	4.6
85.02877	6.7
99.18773	5.4
125.05930	6.8
127.45889	5.7
133.02829	8.6
135.97026	4.9
137.05923	49.1
140.79280	5.2
145.04922	6.2
149.05957	6.9
173.05959	8.0
181.04897	45.2
201.05434	22.5
205.06479	21.7
233.05884	26.4
237.09053	23.5
247.07417	7.5
250.06128	30.3
251.07014	5.9
264.07758	7.6
265.08551	66.2
278.05688	7.2
282.08752	5.5
292.07184	24.2
293.07913	37.3
297.11151	12.0
307.09616	26.7
310.08276	9.8
325.10547	100.0
343.08075	7.5
343.11694	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1168
Annotation	UWM6
Peak:m/z	Relative Intensity
75.32223	1.8
75.59258	1.7
81.07047	2.7
84.72650	1.9
85.02829	2.2
91.05463	2.4
93.80208	2.1
105.06987	2.3
114.09137	3.5
115.05338	6.1
119.04919	2.5
119.08538	2.2
121.02793	8.1
121.06480	2.9
123.04333	2.1
131.04910	2.6
133.02803	8.5
137.05937	45.3
143.04901	2.4
145.06482	3.1
147.04404	2.8
149.05975	3.8
150.06734	3.6
151.03854	3.5
159.04440	3.6
160.05180	7.6
161.05908	3.6
173.05960	8.0
175.03860	2.7
175.07513	10.5
181.04898	18.8
181.06291	2.6
186.03146	9.7
201.05397	24.0
205.06424	23.5
207.08009	2.0
219.06430	3.0
222.06784	4.3
227.07042	2.7
233.05927	27.4
234.06644	4.3
237.09055	33.7
247.07553	3.1
250.06189	19.3
254.09358	2.5
261.05527	3.4
264.07700	9.2
265.08536	60.2
266.09161	3.3
277.05020	2.0
278.05621	16.4
279.06519	2.6
279.09982	2.3
282.08829	4.1
283.09537	7.6
292.07199	25.1
293.07986	37.7
295.05823	2.6
297.11243	13.9
301.69089	1.9
302.09100	2.4
307.09595	42.5
310.08228	9.9
325.10617	100.0
343.08093	2.1
343.11737	22.5
343.15295	2.9
343.21991	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89154	0.5
55.01868	8.0
57.03431	7.7
61.02924	7.3
66.09444	0.7
69.03415	25.8
69.98724	0.6
71.04949	1.3
73.02892	7.2
81.03408	3.1
84.13386	0.7
85.02885	100.0
85.08791	0.6
87.04464	1.0
90.26491	0.6
91.03935	8.7
92.15231	0.7
92.16914	0.8
94.46079	0.7
97.02871	28.1
99.04441	9.1
101.02364	4.3
109.02861	7.5
115.03907	4.3
127.03884	66.6
145.04930	41.6
150.68300	0.7
163.05981	11.6
176.85886	0.6
182.39108	0.7
192.01103	1.4
208.00420	0.7
208.79085	0.8
217.58221	0.8
223.76764	0.8
325.04916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1532
Annotation	Pukalide aldehyde
Peak:m/z	Relative Intensity
62.29255	0.5
81.07041	1.1
92.17406	0.8
98.38569	0.5
103.17378	0.5
105.06981	0.9
107.08554	1.0
118.94212	0.5
132.13077	0.6
145.10104	0.8
159.08026	3.1
161.28639	0.5
171.11482	0.7
181.10127	0.8
183.11778	1.0
187.07475	4.4
195.08025	1.1
199.11115	7.2
201.12683	1.2
203.10669	3.1
209.09563	20.0
211.11179	1.2
212.08308	0.9
213.09048	10.3
215.14153	0.6
227.10632	12.0
227.14198	4.9
229.12231	1.1
231.10115	18.3
237.09174	1.0
237.12682	0.9
238.13576	1.3
240.23170	1.1
241.12154	7.6
241.15924	2.0
245.11722	2.6
251.14238	8.9
254.09132	0.8
255.10075	11.5
255.13667	7.7
256.14499	100.0
265.08481	0.9
269.11874	1.3
269.15295	4.9
273.11124	40.8
283.13290	2.3
284.13995	79.0
297.14688	6.3
301.10654	2.5
302.21979	1.1
315.15820	11.4
343.15314	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	344.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49372	0.4
65.21328	0.4
69.03409	1.1
85.02885	6.0
89.05989	0.8
97.02847	0.8
110.80521	0.5
112.02140	0.8
121.82446	0.4
123.04353	0.9
127.03849	2.0
128.04201	2.6
134.85121	0.4
136.07571	1.6
145.04927	0.7
146.05263	2.1
147.04358	2.8
153.06523	2.6
155.19252	0.5
165.05370	0.7
165.06535	3.6
174.05121	0.4
181.05948	0.4
182.07993	0.9
197.03748	15.1
215.04915	0.8
225.06862	11.6
233.22150	0.5
241.06346	7.0
261.84467	0.5
269.05804	18.9
269.34720	0.4
274.05814	0.4
280.07391	8.7
298.08386	4.3
326.07941	34.4
327.20041	1.9
338.81284	0.6
344.09006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.2
55.05501	6.8
56.05039	1.6
57.64838	1.5
60.04512	7.3
66.28617	1.6
67.05501	15.0
67.05803	1.5
69.07059	8.8
71.08226	3.5
71.08624	100.0
75.37539	1.4
79.05489	7.9
81.07054	15.5
82.61998	2.0
83.04974	2.6
83.08599	12.8
89.06021	8.9
91.05451	4.2
93.07030	16.0
95.08591	10.6
97.06538	2.4
97.10160	33.4
99.08084	64.1
105.07011	8.0
107.08579	17.0
109.06497	2.5
109.10170	8.7
109.52869	1.9
111.08097	2.8
116.10652	1.9
117.25838	1.8
119.08577	8.1
121.10144	10.9
123.11712	1.8
125.09606	35.7
133.08609	2.3
133.10129	3.1
135.08049	3.9
135.11662	10.9
139.07552	4.1
145.10156	13.4
147.11647	7.4
149.13275	2.1
151.11191	15.7
153.09122	2.4
157.00620	1.7
159.11771	2.3
161.13278	10.5
163.11169	12.0
171.10155	2.1
179.14348	8.2
203.12758	22.5
226.72534	2.1
236.86256	2.3
259.20547	4.0
277.21515	32.6
291.23169	21.7
303.23166	10.5
309.24179	65.2
322.17438	1.9
326.27026	7.4
327.20224	4.3
344.26410	2.5
356.46573	1.9
368.88834	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	344.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97574	6.0
55.05492	10.6
55.26907	6.3
57.03427	10.9
57.07065	8.1
59.02597	6.8
60.04523	14.8
66.83774	5.9
67.05497	65.9
69.07049	53.7
71.08613	28.8
74.77287	5.9
78.05331	7.0
79.05477	42.0
81.03393	8.6
81.07063	58.0
83.08630	11.5
85.10157	33.8
89.06002	13.0
91.05446	11.9
93.07017	52.5
95.08600	100.0
97.06510	16.7
97.10141	13.1
99.08072	9.2
105.06999	13.4
107.08579	37.3
109.10122	12.2
113.09626	40.2
119.08562	16.0
119.62209	7.1
119.72646	7.6
121.10130	76.6
125.09629	10.5
131.08594	10.8
133.10129	27.5
135.11713	16.3
139.11183	33.3
147.11656	29.0
149.09573	14.6
151.11139	7.9
155.10457	6.9
165.12706	7.4
167.10628	7.1
169.12262	7.9
175.62747	8.3
187.66982	8.2
217.14441	10.8
241.19493	10.8
259.20407	12.3
277.21652	49.8
295.22675	47.8
309.24402	12.9
344.31580	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	344.2791
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
50.77176	0.8
55.98933	1.2
57.07067	8.6
60.04522	46.4
62.35651	1.0
67.05485	2.1
71.08621	6.1
81.07039	4.7
83.08651	1.2
85.10162	2.2
88.03992	12.7
88.07628	1.4
89.06030	2.0
95.08590	6.0
97.10213	1.3
104.31885	1.0
106.05017	100.0
107.08557	1.3
132.51108	1.0
284.29718	1.3
326.26761	1.3
327.20020	1.7
344.28189	8.4
344.31613	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	344.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	2.0
60.04519	2.1
69.92995	1.8
70.06587	14.8
71.08653	2.0
72.08067	1.7
78.48518	1.6
88.07631	50.1
89.06010	2.5
95.08603	3.2
106.08663	100.0
109.10139	2.7
114.13546	2.0
155.11436	2.6
225.69037	2.3
257.22641	3.7
283.26410	15.7
290.14581	2.2
303.23477	2.9
326.30579	3.1
327.20462	2.5
336.57007	2.0
344.26917	3.0
344.31552	34.6
346.95883	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	345.1174
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
53.00269	0.6
57.34971	0.8
71.04978	1.0
79.69821	0.6
85.02898	1.4
89.32510	0.6
91.05479	0.8
137.05946	13.1
141.05450	1.4
151.03905	1.1
161.05957	3.0
165.05424	30.0
165.06795	1.2
168.92021	0.9
175.07584	0.8
183.06485	100.0
221.05885	2.6
225.09071	3.3
253.08594	4.2
269.08005	1.0
285.11115	4.0
295.09927	1.0
317.06445	1.1
327.12100	4.8
345.13217	4.7
345.16989	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	345.1324
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
50.48425	3.1
55.52938	2.9
56.61270	3.2
61.25367	3.2
65.76189	3.3
71.22739	3.6
72.97357	3.1
73.16914	3.4
81.07034	5.6
91.37287	3.4
91.73748	3.9
93.07012	7.3
99.47868	4.0
107.04919	6.5
109.10182	4.2
131.04884	41.7
133.57407	3.8
145.10031	6.7
154.52354	4.1
159.04346	7.0
176.04637	5.8
177.84621	4.6
191.06955	26.7
195.08034	4.4
207.08023	5.3
210.06670	6.6
221.06035	4.3
222.06651	4.9
223.07414	5.0
225.05830	4.4
225.09029	16.9
235.07632	5.9
238.06247	6.4
253.08572	16.9
257.28384	4.0
267.10086	9.4
270.08698	6.4
281.88550	4.3
284.10400	6.7
285.11166	25.7
295.09543	25.8
299.09106	22.6
313.10568	95.1
314.11484	20.6
345.13242	100.0
345.20322	6.9
345.24231	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	345.1328
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
50.68879	9.9
55.25113	10.8
58.06337	10.7
62.11523	11.9
63.40166	14.7
67.05494	12.7
74.69000	13.7
83.45813	15.0
93.07008	15.6
104.99287	28.3
115.05511	13.6
122.55029	13.6
136.26462	13.8
137.05962	65.7
139.11110	13.7
142.57892	13.2
147.04384	67.0
147.08072	16.8
161.05919	23.5
163.01797	22.4
175.07483	21.3
179.07109	14.0
203.07027	21.7
213.09039	16.6
253.08484	22.9
269.08105	24.3
270.08728	17.8
284.10358	31.1
327.12155	74.9
345.03674	57.1
345.09650	15.0
345.13138	56.7
345.16779	100.0
345.20059	93.4
355.68616	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	345.1329
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
55.01877	7.1
62.25191	1.8
65.79171	1.9
70.65491	1.8
73.02520	3.9
73.02908	79.3
83.47587	2.4
87.06743	1.7
88.25154	2.0
92.16851	2.3
97.06536	2.2
107.04958	30.8
119.04948	8.3
121.10159	2.0
126.87148	2.4
131.04910	48.6
133.06500	2.7
137.05971	27.5
149.05971	9.6
161.05943	13.3
167.08534	3.4
177.09218	2.5
181.06441	2.3
183.08081	11.0
195.08084	16.5
210.06770	9.8
211.07481	17.7
221.06044	2.7
223.07448	23.9
225.09052	2.8
238.06038	3.3
243.10147	26.4
253.08545	12.3
255.10126	24.0
267.10126	2.5
269.08011	23.3
281.08032	48.2
281.11020	3.9
285.07523	2.9
297.11130	4.8
299.09552	2.4
309.10913	2.6
315.12289	12.8
327.12015	22.7
345.09128	3.8
345.13293	100.0
345.17358	4.4
358.03619	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	345.1326
Annotation	5,7-Dihydroxy-6,8-dimethyl-3-(4'-hydroxy-3'-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
52.94191	0.5
54.22887	0.5
60.83878	0.6
69.64174	0.6
74.50055	0.5
95.04900	0.7
98.26288	0.7
101.24980	0.6
109.06519	0.8
114.09125	1.1
117.33701	0.6
117.43505	0.6
120.01814	0.6
131.04883	0.8
137.05952	26.8
142.89734	0.7
145.06425	1.2
151.03870	100.0
151.04857	3.9
175.07475	1.2
179.10500	0.7
183.05371	0.8
191.06967	3.0
203.06964	1.3
248.21906	0.6
327.12213	9.0
345.13306	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	345.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15612	0.6
57.15263	0.7
63.53244	0.6
72.03845	0.7
73.02910	1.3
76.14910	0.7
91.05457	0.9
97.87286	0.6
103.82484	0.7
107.04916	0.7
107.08591	0.8
114.09153	3.8
115.05443	1.0
119.04951	1.2
119.62128	0.6
121.06470	1.3
122.03625	3.0
131.62050	0.7
133.02800	0.7
137.05956	100.0
143.04893	1.1
147.04376	19.5
149.05934	2.8
149.64084	0.8
151.03900	1.6
161.05940	1.7
175.07462	1.5
179.08484	0.9
181.06126	3.5
185.11050	0.6
191.07010	4.0
199.07266	1.2
203.06973	1.4
207.08131	0.8
221.05873	1.5
222.06708	0.7
224.12703	0.8
225.09160	1.1
234.06792	1.0
235.07413	0.9
239.10526	0.9
249.08876	1.3
253.08498	5.3
265.08594	3.1
267.10068	4.2
270.08618	0.8
273.11124	1.1
277.08533	3.6
285.11334	2.8
294.08896	1.2
297.11282	3.1
299.08948	0.9
309.11191	4.7
342.13135	0.7
345.09732	1.2
345.13831	5.0
345.24020	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	345.1689
Annotation	Eriostoic acid
Peak:m/z	Relative Intensity
50.10042	4.0
50.42767	5.3
55.05495	6.2
57.07062	5.3
77.22752	4.4
79.05466	6.0
81.07040	26.0
83.04955	39.4
90.07751	4.6
91.05474	8.2
93.06968	7.4
95.08585	22.5
97.10146	7.1
107.08546	7.2
109.10148	8.2
119.08542	8.6
125.09711	4.7
131.04887	29.4
136.70897	6.6
145.10110	6.1
169.07808	5.1
169.10071	11.3
171.07985	6.0
183.11653	8.9
185.13142	5.6
191.06993	7.7
193.09930	7.0
194.07379	5.5
195.11710	8.2
197.09590	43.4
201.05125	5.1
211.11143	5.5
211.14790	32.2
213.12668	7.0
215.10632	31.6
221.13153	62.7
222.13858	6.4
225.09039	29.6
229.12166	7.2
229.15819	22.6
235.07445	6.5
238.06215	7.2
239.10585	12.9
239.14268	76.5
243.10205	54.9
253.08578	11.8
253.15776	5.9
257.15338	12.2
258.12506	21.8
267.10263	8.1
270.08887	9.7
270.98166	5.3
281.15317	42.3
284.10208	7.7
285.11093	20.8
285.14764	8.3
295.09662	26.0
299.08969	21.2
299.16327	69.4
313.10641	86.0
314.11514	7.8
325.34137	5.5
327.15799	21.7
345.13174	74.7
345.16910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2053
Annotation	Bisphenol A bis(2-hydroxypropyl) ether
Peak:m/z	Relative Intensity
57.07069	1.7
59.04990	1.7
59.93193	1.4
60.04520	1.7
67.05482	3.2
69.07072	2.8
71.08605	3.2
81.07050	3.0
85.14904	1.4
85.45251	2.0
86.27872	1.7
93.07021	2.6
95.08558	3.6
97.06522	9.7
99.04442	3.3
99.08133	1.6
105.07059	1.6
105.36623	1.7
107.08578	2.6
109.06490	8.7
109.10129	2.4
119.08517	1.8
121.10120	1.9
133.10114	2.4
145.10097	9.2
147.08026	15.7
147.11639	4.0
148.12056	2.5
155.08521	9.0
161.13179	1.8
169.10162	2.2
171.08002	2.7
171.11734	2.7
173.09583	4.2
175.11200	2.1
183.11671	11.6
187.11230	6.8
197.13225	27.5
199.11169	2.3
201.12825	2.0
207.11650	12.0
211.11111	9.5
215.14233	2.5
225.12752	9.5
225.16367	9.1
239.17921	2.1
246.53094	1.8
249.16315	7.3
250.21449	2.2
253.12183	2.1
253.15768	3.0
267.17456	2.2
278.13605	1.7
301.21521	6.7
303.15903	7.5
304.23474	8.1
306.56946	2.3
310.24478	3.7
345.20547	100.0
345.27841	11.5
359.06924	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	346.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04061	0.3
69.03423	1.6
72.08158	0.4
73.02890	0.4
80.95956	0.4
85.02888	2.7
86.09667	0.5
87.04435	0.4
87.36916	0.5
97.02859	1.3
109.02900	0.4
112.32538	0.3
115.60954	0.4
116.07140	0.4
127.03932	0.7
133.06476	0.4
133.67932	0.4
148.02811	0.4
148.03899	11.5
148.04980	0.5
151.02130	0.4
151.07553	0.4
154.06215	0.7
159.00587	0.4
166.04959	100.0
167.06996	4.0
167.47980	0.4
172.95247	0.4
182.09387	3.6
184.06015	95.8
186.78410	0.4
192.07765	0.9
193.08554	0.5
205.03540	0.4
210.08833	5.5
216.65645	0.4
229.15314	1.7
250.97508	0.8
279.62784	0.4
283.04553	0.4
283.11395	0.4
286.03207	0.6
302.04126	0.7
346.11209	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20552	2.7
58.98376	2.8
59.06669	2.5
61.02925	6.1
66.20459	2.9
69.03407	14.3
70.06569	3.9
72.08133	13.6
81.03407	4.3
85.02895	100.0
86.09710	7.3
97.02865	20.7
99.04432	5.2
101.55647	3.3
107.04938	73.3
109.02866	8.0
116.07056	3.7
127.03894	31.4
132.03185	3.6
137.40138	3.5
145.04933	29.7
147.19153	3.2
149.05937	25.7
167.07011	7.9
180.08687	27.2
184.09593	3.3
184.87738	3.2
185.07050	3.4
275.09082	3.8
298.64175	3.6
346.14825	18.3
346.18402	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	346.1971
Annotation	Asp Val Leu
Peak:m/z	Relative Intensity
60.04524	2.3
72.08151	63.1
82.06602	1.6
86.09711	28.7
88.03976	11.3
89.14853	1.3
98.02410	2.1
101.46861	1.4
127.08656	23.0
128.07071	2.3
132.10217	6.8
142.08630	27.1
169.09729	9.0
170.08134	3.2
187.10764	100.0
197.82010	1.4
201.12399	6.7
215.10263	36.7
223.47630	1.7
228.92009	1.8
229.11990	2.2
255.30037	1.4
346.13113	1.9
346.26501	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	346.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
57.07072	0.3
58.06592	5.0
58.85128	0.2
60.08155	70.8
61.39621	0.2
63.00350	0.2
73.13483	0.2
74.12260	0.3
78.89499	0.3
80.82676	0.2
83.04958	3.2
90.09685	0.2
100.11260	0.4
110.06018	0.5
112.81540	0.3
113.25237	0.3
130.06499	12.4
132.08075	3.4
144.08092	1.5
146.05946	3.8
157.07587	0.4
159.09135	21.4
170.06013	1.2
176.51503	0.3
182.09583	0.4
185.07056	19.2
187.08621	1.5
188.07016	23.2
196.11206	0.5
199.08611	0.5
203.08151	0.6
205.09656	2.0
213.06583	1.6
215.03607	0.3
231.07585	8.6
241.13318	2.2
242.11731	1.5
259.14383	2.7
346.21170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2372
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
51.39913	4.2
66.17865	5.2
81.07050	8.9
93.07029	6.0
109.10099	6.5
113.93159	6.1
121.06548	6.9
136.42091	5.4
149.09590	6.2
169.09985	6.1
175.97894	5.2
228.43327	6.1
269.18939	11.3
271.20493	100.0
315.19485	79.7
340.00336	5.4
346.23724	97.2
346.33279	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.05510	13.2
57.03433	5.2
59.04998	2.4
60.04530	1.7
64.10654	1.1
67.05502	42.9
69.03411	1.2
69.07058	19.7
71.04990	6.4
72.36246	1.3
76.58041	1.2
79.05492	18.0
81.07052	40.1
83.04971	2.0
83.08612	17.6
85.06516	1.8
91.05479	12.9
93.07028	22.3
95.04969	2.9
95.08600	24.1
97.06521	9.1
97.10167	26.1
99.08106	1.7
105.07026	13.5
107.08587	47.1
109.06511	2.9
109.10146	71.9
111.08092	7.9
117.06997	5.4
118.61510	1.3
119.08568	22.1
121.06509	1.4
121.09418	1.4
121.10106	12.2
123.08086	2.0
123.11683	5.4
125.09623	23.7
129.07030	1.7
131.08568	9.9
133.10124	17.8
135.08052	2.1
135.11694	9.0
137.09602	6.7
145.10136	6.9
147.11705	10.4
149.09630	7.3
149.13254	8.9
151.11195	2.2
153.09074	1.7
155.10649	33.9
156.02518	1.5
157.10098	1.4
159.11685	7.6
161.13280	2.6
163.11168	2.8
169.10234	1.5
171.11711	1.6
173.11714	100.0
173.13138	4.1
177.12744	2.3
187.11003	1.4
189.11198	14.3
195.13727	11.0
197.09599	7.0
200.95326	1.3
213.14851	11.9
215.10805	4.8
219.13704	1.4
225.12680	1.5
225.17191	1.3
232.52203	1.3
235.16908	6.0
239.14189	2.8
239.18053	2.2
246.29054	1.3
257.18976	6.2
259.09674	6.6
265.15851	7.1
267.17377	22.2
275.20041	49.8
283.13306	2.5
283.16940	14.1
293.21082	21.0
305.21072	1.9
311.16461	18.6
329.17416	28.8
346.20102	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	346.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
56.05032	2.3
57.06810	0.4
57.07066	4.3
58.06580	1.5
60.04496	0.4
67.05489	0.4
69.07055	1.3
71.08616	2.9
74.06065	2.6
78.76391	0.2
81.07031	1.3
83.08598	1.1
85.10152	1.7
86.06025	0.4
88.07614	5.1
90.03759	5.5
91.02125	0.3
95.08597	2.3
97.10115	0.6
108.04797	31.0
109.10110	1.1
118.08618	1.5
121.10147	0.4
122.08092	2.0
123.11617	0.4
134.74916	0.3
135.11639	0.3
185.79587	0.3
239.23589	0.5
264.26785	1.3
282.27850	100.0
298.30972	11.2
322.87909	0.3
328.26627	2.8
328.31723	0.4
346.23315	0.6
346.27835	13.3
346.33075	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	346.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	19.7
58.74326	7.1
60.04512	73.9
67.05483	12.1
67.91644	9.1
71.08607	19.2
79.05467	12.6
81.07034	16.1
82.93036	8.0
86.06033	9.9
88.07610	19.1
93.07040	14.1
95.08568	17.6
104.99269	11.0
105.99604	10.3
109.10130	14.2
121.10137	19.9
132.10159	45.6
150.11269	33.6
207.74274	9.2
225.10977	7.6
255.06960	9.7
263.98450	10.7
264.27020	11.5
265.25229	15.1
282.27847	36.6
292.26373	12.3
300.28952	9.7
310.27197	19.4
328.28537	72.6
339.06717	9.4
346.29504	16.3
346.33182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0753
Annotation	Quercetagetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
60.09304	1.9
61.49268	2.2
62.19535	1.7
69.15702	2.0
78.45793	2.1
79.11520	2.1
81.07047	5.1
93.06998	2.7
95.03250	2.0
95.08571	4.4
109.06498	2.8
109.10075	3.1
137.05943	4.1
144.83922	2.2
145.10104	2.6
147.08054	2.8
151.03847	2.6
153.01791	4.9
161.09612	3.5
181.04961	3.2
216.04178	4.0
231.06456	17.2
244.03662	3.3
245.04517	2.8
255.02838	10.0
259.05945	27.7
272.03198	3.4
273.03738	2.6
278.67322	2.4
283.16888	2.8
287.05344	24.0
301.06833	4.0
301.17834	8.3
302.04025	2.8
304.05447	3.2
314.04044	12.6
315.04980	35.0
317.02872	14.3
319.08105	11.5
329.17279	10.5
331.04242	16.3
332.05273	4.6
347.07474	100.0
347.18356	18.9
347.22220	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	347.0754
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
52.92853	0.6
59.70047	0.7
64.36512	0.7
65.89886	0.7
67.05505	1.1
75.04454	1.0
79.05481	1.1
81.07037	2.0
83.39834	0.7
91.05460	1.4
93.07041	1.8
95.08569	2.0
96.19711	0.8
97.06510	9.8
103.92935	0.7
107.04956	1.0
107.08542	1.5
109.06469	1.9
109.10165	0.9
111.04391	1.6
111.08077	1.0
113.27843	0.8
117.06960	1.0
119.08571	1.9
121.02779	1.2
121.06454	3.1
121.92250	0.8
123.04430	0.9
123.07994	0.9
125.05944	2.0
129.06981	1.2
131.08502	4.3
132.22028	1.1
133.10143	1.5
135.07973	1.6
137.02299	1.7
137.05937	3.7
137.09558	1.1
139.03831	6.9
143.08502	4.2
145.10075	3.7
147.08052	1.9
151.03885	1.2
153.01781	10.1
153.05397	10.2
154.06285	1.1
155.08516	4.5
157.10054	9.0
159.07973	1.5
159.11620	3.5
161.09561	1.0
165.01736	5.7
165.05443	1.6
167.08514	1.5
169.10069	4.8
171.08055	1.7
171.11623	5.5
173.09549	3.4
181.04910	4.7
181.10072	5.5
183.02803	1.5
183.11664	1.2
185.09637	1.3
187.07335	0.9
187.11156	1.5
193.04893	1.4
195.11636	6.9
197.09543	0.8
197.13211	3.2
199.11089	4.9
207.06406	1.2
209.13144	1.8
209.70567	0.9
213.12749	1.0
217.12099	1.4
217.83073	0.8
223.14656	1.6
225.12692	1.2
227.10539	1.2
227.14226	1.3
231.06445	1.5
237.12610	1.1
237.16266	1.2
239.14224	5.0
241.15865	4.1
253.15781	0.9
255.13747	1.7
255.17366	3.8
258.05173	7.2
259.03189	1.1
259.05832	6.1
265.15891	3.5
267.14001	1.6
267.17368	10.3
269.04440	1.8
269.15350	4.8
273.18634	1.2
283.16592	5.7
284.02988	1.1
285.03754	1.3
285.15155	1.5
285.18390	10.2
286.04675	13.1
287.05396	23.1
287.16312	4.8
291.08572	3.5
299.08911	1.2
299.16437	1.4
301.14444	0.9
301.17886	3.7
303.04910	3.5
303.19440	4.0
311.16254	6.3
314.04074	4.5
315.04800	7.4
329.17459	12.9
331.04501	11.2
332.05139	5.3
347.07520	100.0
347.10907	3.8
347.18231	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	347.1122
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
50.63663	0.4
54.60586	0.3
61.19754	0.4
65.03926	0.8
67.05483	0.6
71.01353	3.5
74.20074	0.4
79.05495	4.3
81.07059	0.5
93.03375	0.7
93.07018	0.8
95.04958	6.0
105.07043	0.6
107.04945	9.3
108.05724	0.7
109.02861	0.7
109.06480	0.9
109.10158	0.7
111.04428	1.8
118.04137	2.4
119.04921	1.1
119.08554	0.7
121.06497	6.1
123.04401	8.2
124.05232	0.8
125.05943	4.6
131.04944	0.6
133.02821	4.5
134.03601	0.9
135.04404	10.9
136.05281	0.5
137.05966	10.3
141.05449	1.0
145.10210	0.5
146.03590	4.2
147.04396	5.2
149.05966	25.7
150.03076	0.5
150.06750	6.1
151.03893	100.0
151.04900	4.4
152.04649	2.0
153.05449	12.2
156.83157	0.5
161.05994	2.5
162.03046	0.8
163.03870	4.3
165.05444	5.2
166.06238	6.3
167.07027	12.9
177.05421	7.9
178.06229	41.8
195.06503	10.1
196.07289	19.2
198.94196	0.5
211.07483	0.8
223.05939	0.7
233.05104	0.5
239.07030	2.7
243.10164	3.5
297.07648	2.9
299.09091	1.8
301.10385	0.6
301.17929	0.5
317.10220	0.8
329.10175	3.7
329.13873	1.8
331.92764	0.5
347.11246	13.0
347.18384	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1121
Annotation	Amorphaquinone
Peak:m/z	Relative Intensity
53.08284	0.5
60.40969	0.5
65.03935	0.9
68.26557	0.6
68.36020	0.7
81.07027	0.6
91.05460	0.7
93.03419	0.9
107.04935	2.8
109.06490	0.9
111.04430	3.3
114.09126	0.6
116.40988	0.6
121.06488	10.0
125.05968	6.6
131.04933	0.9
135.04390	2.9
137.05946	6.4
141.05449	0.8
149.05952	21.2
151.03885	100.0
151.04915	4.3
151.07401	1.8
153.05432	6.4
153.06944	1.1
165.05444	8.7
175.07495	0.6
177.05449	19.8
181.06451	7.6
195.06551	2.2
198.06787	0.9
205.04913	1.2
209.05908	3.6
213.09108	5.9
241.08536	6.6
243.10201	1.2
267.06555	1.3
273.10999	0.8
297.07513	3.2
299.09198	0.7
301.07489	1.0
301.10635	8.5
301.17877	0.7
311.09177	1.0
329.10098	19.5
329.17221	0.9
347.11105	7.4
347.18259	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	347.112
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
60.97987	3.0
65.49206	3.0
89.84720	3.1
91.05472	5.8
91.51025	3.1
92.16848	7.6
95.04956	4.5
119.04922	17.0
121.06506	28.6
133.02934	3.7
134.03587	4.5
137.05960	100.0
147.04425	20.2
149.05942	30.2
150.06726	35.2
151.03859	7.2
152.94296	4.1
161.05859	5.7
162.06744	5.0
178.02621	5.4
181.04886	16.4
181.06406	12.5
193.04951	29.2
201.00679	3.8
211.07576	5.7
239.40079	4.0
267.06351	3.9
297.07498	5.9
299.09045	37.6
317.10110	15.5
329.10367	25.2
347.11191	41.9
347.18411	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	347.1849
Annotation	Gibberellin A24
Peak:m/z	Relative Intensity
50.16899	2.0
50.33265	2.4
60.24893	2.0
64.51784	2.1
67.05485	4.6
69.07080	2.4
75.04464	10.8
75.91970	2.3
79.05476	3.6
80.66573	2.9
81.07050	13.8
91.05471	4.9
93.03403	2.3
93.07029	38.1
95.04950	3.8
95.08610	18.3
97.06520	16.0
105.07020	11.2
107.04937	3.1
107.08591	13.8
109.06489	4.5
109.10157	14.4
111.04456	3.8
111.08074	10.5
113.99579	2.4
119.08562	11.9
121.02835	4.8
121.06474	22.6
121.10140	6.2
123.08057	5.0
131.08575	5.9
132.15718	2.6
133.10144	6.2
135.08064	10.6
137.05937	5.7
137.09624	11.1
143.08540	13.1
145.06496	3.0
145.10106	10.6
147.08043	21.7
147.11719	3.0
149.05992	3.2
149.09616	3.8
150.16336	2.4
151.03860	10.3
155.08530	3.8
157.10080	19.1
159.08051	5.6
159.11697	5.4
161.09552	40.0
163.11131	9.8
169.10112	3.2
171.07930	2.6
171.11639	12.6
173.09639	12.5
175.11183	10.1
177.05238	2.8
183.11693	3.2
185.09605	12.9
185.13235	3.2
187.11205	15.4
193.04749	3.7
195.11700	5.1
197.13174	4.3
199.11194	12.3
201.12714	5.8
208.76280	2.7
209.13235	4.3
211.11148	5.8
213.12766	16.4
215.03618	2.4
223.11249	3.9
223.14774	3.5
225.12753	9.9
227.14270	25.9
231.17395	10.5
237.16443	2.8
239.14288	9.6
241.11942	3.1
241.15840	19.6
243.17525	3.1
253.15721	3.5
255.17407	10.6
257.15332	2.7
265.15891	5.3
267.17413	12.8
269.15292	5.1
283.16940	19.6
285.18405	21.9
287.16318	3.0
301.17935	50.9
303.19464	100.0
311.16525	2.8
329.17334	34.6
347.11319	4.9
347.18375	65.6
347.22372	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	347.185
Annotation	Gibberellin A24
Peak:m/z	Relative Intensity
52.90139	0.9
55.05506	2.1
67.05512	2.1
69.07051	1.7
81.07053	6.9
82.09136	1.1
83.04924	1.3
83.08549	1.4
86.26759	1.1
87.04459	2.2
91.05455	6.6
91.87543	1.2
93.07034	2.0
95.08585	6.4
105.07020	2.9
107.04969	2.3
107.08585	6.1
109.06506	1.7
109.10129	4.6
117.06944	1.7
119.08548	14.1
121.10142	9.7
123.08125	1.9
123.11688	5.0
125.09619	2.9
126.24115	1.2
131.08531	1.4
132.05753	2.1
133.10115	7.6
135.08034	7.4
137.09615	2.6
143.08540	1.8
145.06480	4.5
145.10147	2.3
147.08031	78.6
147.11615	2.5
149.09665	2.2
151.11227	1.2
157.10091	8.7
159.08044	7.4
159.11635	10.4
161.09647	6.2
169.10121	1.6
171.11674	4.8
173.09578	19.5
175.11168	14.6
177.12704	2.8
183.11665	1.6
185.09596	4.9
187.11066	8.3
188.11951	2.1
197.09537	1.6
197.13248	1.2
199.11191	5.4
201.12732	6.0
201.16359	1.2
211.11143	5.5
213.12788	2.0
213.16362	6.8
215.10681	4.8
215.14316	2.5
229.15831	10.3
231.13786	6.1
231.17404	49.5
233.11801	2.0
239.80594	1.2
241.15752	1.5
252.14835	1.5
255.17416	6.9
259.17194	1.4
267.17383	15.2
273.18491	2.3
283.16882	2.5
285.18530	9.5
301.14572	2.0
301.17960	57.9
303.19516	100.0
329.17337	1.5
347.18390	54.3
348.38470	1.2
358.70490	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	347.1849
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
52.12925	3.4
67.05493	4.3
68.18918	2.9
69.07051	5.5
70.02444	2.6
71.60906	3.0
79.05449	3.8
81.07052	7.1
93.07046	3.5
95.08595	6.5
96.73125	3.5
105.07037	6.2
107.08567	15.6
108.20908	3.0
119.08577	16.0
121.10132	5.5
123.11701	3.8
131.08525	4.2
133.10107	6.7
135.08008	4.6
135.11700	4.9
145.10074	7.4
147.08029	4.8
147.11661	16.7
157.10124	13.3
159.08072	6.9
161.09489	3.4
163.11058	3.3
171.08020	82.3
171.11697	6.9
173.09637	6.2
173.13182	3.7
175.11078	4.5
177.05440	3.8
181.10121	5.7
185.09595	4.8
185.13307	12.5
187.11176	24.3
195.11682	8.2
197.13295	6.0
199.11165	18.6
199.14825	19.0
200.11981	25.7
201.12682	3.9
211.14792	4.5
213.12697	80.8
217.08601	7.7
223.14825	8.0
227.10672	5.1
227.14313	5.4
227.18027	5.9
231.17444	21.9
241.12256	4.5
241.15802	26.8
243.13782	4.7
251.14282	5.3
255.17445	19.9
259.13211	23.3
269.15323	62.6
270.16141	6.9
273.18488	35.1
283.16846	13.8
287.16287	5.2
301.17993	95.4
311.16434	32.0
329.17474	49.2
347.18274	100.0
365.08932	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	347.1848
Annotation	Laxiflorin A
Peak:m/z	Relative Intensity
50.90744	4.4
55.05498	5.8
61.68530	4.5
67.05491	38.7
69.07065	6.1
70.16768	5.2
70.62140	5.3
79.05505	11.5
81.07043	31.6
83.01333	8.3
83.08652	7.5
91.05434	11.0
93.07018	14.7
95.04960	9.1
95.08591	40.2
97.06519	26.1
105.07007	28.7
106.80564	7.0
107.08584	32.2
109.10145	38.8
117.07022	7.3
118.92118	5.2
119.08566	12.9
121.06495	13.5
121.10138	27.3
123.11636	6.1
127.79414	5.9
129.06984	10.8
129.46759	5.6
131.08543	13.3
133.10165	10.3
135.08046	6.8
137.05923	9.7
141.06969	9.0
143.08553	32.7
145.06473	7.9
145.10080	12.5
147.08044	24.8
149.09535	9.7
155.08530	23.6
157.10127	24.0
159.08020	25.3
159.11670	12.9
167.08563	12.0
169.10086	32.7
171.08014	25.6
171.11661	12.1
173.09573	29.7
181.10101	13.2
183.08005	8.9
183.11673	35.2
185.09636	28.6
185.13232	34.8
193.10181	7.8
195.11678	14.8
197.09529	22.5
197.13251	11.5
199.11153	12.6
199.14726	7.7
201.12631	7.7
209.09618	9.4
211.11185	39.5
213.12709	11.0
213.16364	9.7
223.11163	11.1
223.14969	6.4
225.12737	11.3
225.16357	20.8
239.17889	27.6
241.15872	9.0
248.52393	6.4
265.15704	42.2
267.17401	100.0
273.11166	28.4
283.16821	11.3
285.18411	82.7
293.15369	29.3
301.17896	6.6
311.16406	46.7
329.17383	91.3
329.20941	9.9
347.18256	89.1
347.21494	12.8
347.25885	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	347.1849
Annotation	Gibberellin A24
Peak:m/z	Relative Intensity
50.92804	0.6
64.73302	0.6
67.05467	0.9
69.07027	0.5
72.39964	0.7
77.82658	0.6
79.99910	0.6
81.07057	1.1
83.08519	0.8
92.16787	0.8
93.07030	1.4
95.08617	0.8
105.07007	0.9
107.04947	2.4
107.08570	2.9
109.06519	0.9
109.10136	0.9
117.06933	0.7
119.08586	4.1
129.06970	0.9
131.08546	2.4
133.10104	1.4
135.07991	1.2
135.11627	0.7
136.41499	0.6
137.05969	0.9
137.09575	0.6
143.08493	0.9
145.10080	1.4
147.08038	0.8
147.11584	1.3
149.09595	0.9
157.10115	9.8
159.11658	2.5
161.09550	1.0
169.10074	1.4
171.11647	3.3
173.13144	0.6
175.11200	5.9
187.11154	3.9
188.11946	2.9
199.14851	0.8
203.17935	0.7
213.16298	11.7
215.10600	4.7
215.14334	0.7
217.15875	1.0
231.13991	6.5
231.17377	66.9
233.11708	3.8
237.16270	0.8
241.15849	3.2
255.17381	11.2
259.16949	0.8
273.18460	5.1
283.16885	6.9
301.17923	100.0
339.59796	0.8
347.18329	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	347.1849
Annotation	Isodocarpin
Peak:m/z	Relative Intensity
50.24102	1.4
50.53450	1.4
55.05502	1.4
59.40344	1.6
64.89094	1.5
69.07073	1.7
72.87982	1.6
79.05444	1.7
81.07027	7.1
91.05460	1.9
93.07035	3.3
95.08593	3.0
105.07007	2.1
107.08570	3.2
109.06484	3.4
109.10094	2.5
119.08541	2.5
121.10131	2.0
133.10110	1.9
135.08029	24.7
135.11606	3.4
137.09590	2.4
145.10132	2.0
147.07964	1.7
147.11612	7.5
157.10088	3.6
159.07881	2.4
161.05980	2.3
161.09633	2.7
161.42427	1.9
163.07504	12.4
171.11629	2.3
175.11140	3.1
177.12708	23.9
181.10104	2.1
183.11690	1.8
185.09621	2.1
187.11111	2.9
189.09030	2.1
199.11089	2.9
203.10606	1.9
219.10092	2.5
227.17950	1.9
237.16251	2.5
241.15883	2.5
245.15155	2.4
258.12457	2.3
259.16693	2.7
283.16821	16.1
301.14658	2.8
301.17941	57.9
312.29541	1.6
329.17288	2.5
347.18402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1852
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
52.03988	1.0
55.01881	1.0
59.45819	0.9
60.36012	0.9
81.07029	4.1
93.07021	2.1
95.04934	1.4
95.08610	1.4
97.06532	10.1
105.07034	2.4
107.08565	2.6
109.10115	1.2
111.04395	1.2
119.08563	2.4
121.06522	1.6
123.08046	2.0
125.05965	1.3
131.08609	2.3
133.10136	2.4
135.08031	1.5
137.05952	5.6
139.03880	6.8
141.07050	1.3
143.08519	4.6
145.10088	1.3
147.08022	1.9
151.03906	1.3
153.01822	10.4
153.05457	8.8
155.08577	2.7
157.10153	8.0
158.05960	1.7
159.07988	1.6
159.11595	1.7
161.09605	1.3
165.01779	2.2
169.10065	4.5
171.08081	1.3
171.11664	4.7
173.09625	2.5
175.11125	1.2
181.04878	2.4
181.10127	5.1
183.02815	1.3
183.11662	2.5
185.09584	1.4
187.11145	1.3
195.11694	4.6
197.09599	1.8
197.13261	2.5
199.11127	4.2
201.12828	1.2
207.06564	1.6
207.11650	1.2
209.13159	1.2
211.11205	1.8
213.12749	4.5
217.12195	1.3
223.11267	1.7
223.14787	2.5
225.12802	2.2
227.10495	1.1
237.16278	1.9
239.14319	2.7
241.15887	3.8
243.17387	1.3
244.03641	1.1
255.17401	4.8
258.05228	5.6
259.06012	5.5
265.16061	1.5
267.13773	1.8
267.17441	9.6
269.04404	2.3
269.15433	4.4
271.16916	1.6
281.15482	1.3
283.16925	6.8
285.03979	2.0
285.18427	10.2
286.04706	13.7
287.05438	21.0
287.16483	2.3
289.03555	1.3
291.08469	1.6
300.02460	1.3
301.18027	2.0
303.04968	3.8
303.19479	6.4
311.16385	7.6
314.04144	1.8
315.05057	7.5
318.07251	1.6
329.17392	17.2
331.04434	9.3
332.05212	5.7
347.07565	100.0
347.19156	18.4
347.19873	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	348.0702
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
51.56503	0.3
56.05026	0.4
64.53829	0.3
70.88960	0.3
72.08145	1.7
84.04513	0.3
84.08136	0.6
85.86977	0.3
86.09677	1.2
94.06505	0.3
97.02885	9.1
97.57224	0.3
114.09171	2.2
126.38619	0.3
130.05026	0.5
130.08614	0.3
131.11804	2.5
136.06178	100.0
158.08153	3.1
173.12767	2.3
176.09187	4.3
186.07733	0.4
216.09782	0.6
218.11420	0.7
244.93369	0.3
294.18045	0.3
348.07037	15.1
348.13647	0.5
348.17407	0.4
348.21243	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	348.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07688	0.4
56.30210	0.4
56.74905	0.4
58.06362	0.5
58.06591	10.1
59.07364	1.1
60.08154	37.0
69.03403	0.9
72.11428	0.4
85.05250	1.1
100.07593	71.9
102.09174	0.8
118.06493	0.5
129.94565	0.5
130.06487	10.8
132.04431	7.5
132.07997	0.6
136.06149	1.0
144.08031	3.2
146.05978	4.2
158.05956	1.8
159.09123	15.2
160.03882	2.1
161.04674	0.6
162.05452	3.7
164.03380	0.6
170.05962	1.9
185.07036	8.4
187.00883	0.5
188.03383	45.9
188.06990	13.6
197.10730	0.6
199.08583	0.9
225.10170	2.8
243.11285	1.1
304.16452	1.0
348.19067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
58.06590	0.8
60.04515	0.8
64.34093	0.6
65.12094	0.4
66.37876	0.4
70.06573	2.5
72.04510	4.6
72.08138	9.6
74.06063	1.0
74.36407	0.5
82.06547	0.7
83.04944	2.3
84.04479	2.4
84.08123	1.0
86.09684	2.4
94.06516	3.2
97.02889	1.4
100.03999	1.3
102.05495	0.7
110.06027	0.6
111.04418	3.5
112.07560	5.1
113.10749	3.7
114.09148	48.1
122.05989	5.2
124.07535	0.7
126.09126	1.1
130.04913	0.6
131.11780	34.8
136.06163	32.8
136.07541	2.4
138.05530	0.7
140.07027	3.2
146.08125	0.7
148.45435	0.6
148.87061	0.6
150.05511	1.0
155.11775	0.7
158.08090	33.9
164.07047	1.3
167.07013	1.0
168.06488	1.0
173.12810	20.0
176.09151	49.5
179.46442	0.6
201.12454	0.9
202.15552	0.9
207.14792	0.9
224.17601	0.8
227.09076	0.8
244.16588	0.9
266.18564	1.3
294.18076	2.6
348.07086	5.5
348.21222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
73.91436	4.3
95.71652	4.5
105.07040	5.5
112.01003	4.8
118.02774	3.9
129.56728	4.9
139.02293	4.0
143.08556	17.8
145.10103	4.5
150.00989	4.4
157.10106	19.0
159.11623	6.0
168.74667	4.8
169.10077	9.1
171.11661	7.5
183.11693	11.0
185.13188	4.8
195.11702	4.9
197.13188	65.4
198.13934	4.8
199.14832	10.5
201.09087	4.9
209.13297	5.3
215.10603	6.2
225.12581	17.6
225.16376	9.3
229.12274	6.1
239.17906	38.3
241.19434	4.6
243.13756	25.4
249.16351	7.3
257.18893	16.6
267.17352	56.2
269.19107	5.6
271.16815	5.5
285.18423	50.5
295.16891	6.4
305.92126	4.7
313.17920	23.7
331.18942	100.0
348.21616	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	348.216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06520	1.6
67.50169	1.5
69.07037	2.8
77.85855	1.5
79.05456	1.8
83.04971	1.7
93.07040	3.4
95.08572	2.0
97.06491	3.0
107.08548	7.1
111.08057	17.6
119.36515	1.4
121.06501	2.3
121.10118	7.0
135.08017	1.8
143.08553	2.6
145.10156	2.4
149.09610	1.9
154.33205	1.6
155.08482	2.5
159.11674	3.7
161.09560	2.2
163.11122	2.4
169.10075	3.1
171.11607	2.2
183.11658	5.8
185.13263	2.3
187.11108	22.8
197.13234	16.7
207.11691	2.6
214.13513	3.3
221.13148	2.0
241.15799	9.8
267.17313	18.8
269.18924	100.0
287.20020	7.7
295.16730	1.7
313.17853	10.9
331.18921	65.6
348.21875	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	348.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31221	0.5
52.09652	0.5
55.05510	0.9
66.04096	0.6
67.05498	3.7
69.07049	1.4
69.50327	0.6
79.00694	0.6
79.05491	1.6
81.07050	6.3
83.08599	0.7
85.06545	0.9
93.07040	3.8
95.08607	4.7
97.06523	5.2
105.06998	1.6
107.08579	6.2
109.10146	3.9
111.08079	7.0
119.08559	2.9
121.06473	3.3
121.10119	4.2
125.09612	2.8
131.08540	3.0
133.10094	1.5
135.08034	1.0
137.09599	1.5
139.11177	2.8
143.08522	1.2
144.33524	0.7
145.10136	4.0
147.08006	4.2
149.09584	1.4
155.08534	2.8
157.10149	3.6
159.11639	3.0
161.09569	8.1
163.11189	4.3
169.10098	3.6
171.11639	4.7
173.09615	2.7
173.11801	0.9
175.11134	3.4
177.12776	0.8
183.11658	3.8
185.09659	1.4
185.13234	3.5
187.11131	7.1
189.12836	1.1
195.11687	0.8
197.13159	4.8
199.11177	1.2
199.14731	0.9
201.12706	1.3
202.89754	0.7
209.13228	3.4
211.11198	1.2
211.14783	1.5
213.12772	7.7
215.14282	2.9
225.12830	0.6
227.14291	4.2
227.17957	1.2
228.15054	7.5
229.15778	1.6
233.88020	0.7
239.14229	1.0
239.17960	3.6
241.15854	2.7
249.16176	0.9
257.18872	3.5
267.17328	4.5
269.18921	11.3
284.17368	1.5
285.18378	5.0
287.20004	100.0
295.16925	1.2
302.18158	5.5
313.17920	4.1
331.18970	50.9
348.18378	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	348.2738
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
55.05499	2.3
57.07059	2.4
60.04506	5.3
67.05469	2.9
68.05021	2.8
69.07054	10.9
72.04501	65.3
73.40536	2.2
74.06058	11.8
76.03990	11.8
81.07046	8.2
83.08617	8.9
86.06039	3.7
88.03969	11.5
90.05540	2.2
93.57238	2.8
95.08594	11.9
97.10167	2.7
97.35383	2.2
102.05567	3.4
106.25822	2.2
109.10159	3.3
111.59077	2.3
114.05519	4.5
118.04980	86.9
118.05753	4.4
173.39632	2.6
188.66595	2.3
232.17807	9.4
234.99672	2.9
236.23741	3.3
254.24852	5.4
267.03143	2.6
282.24115	3.7
284.25732	3.7
287.20035	15.3
301.97504	2.5
302.18231	11.6
312.25308	3.9
325.02148	2.6
330.26398	9.2
331.19162	5.5
348.27402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.128
Annotation	Syringopicrogenin B
Peak:m/z	Relative Intensity
53.39260	0.9
58.60100	0.9
65.03931	5.0
67.05492	4.7
69.69559	1.0
71.01340	2.6
79.05479	4.2
81.07059	2.1
85.02862	1.1
91.05437	1.9
92.56647	1.0
93.03388	11.6
93.07013	2.1
95.04940	5.7
95.08598	2.4
96.08108	1.4
97.06541	11.3
99.04451	1.4
99.08057	1.2
100.04949	1.1
107.04932	7.3
107.08548	1.8
107.86599	1.1
109.06499	2.0
109.10146	1.2
111.04403	8.7
114.09151	10.7
118.22381	1.1
119.04953	1.6
119.08569	5.5
121.02814	6.9
121.06472	8.7
121.10098	1.5
123.04427	7.6
125.05965	19.2
126.08996	1.2
133.02844	4.5
133.10101	1.7
135.04385	7.5
135.08041	1.8
137.05946	14.4
141.05403	1.3
146.03596	1.8
147.04332	4.2
147.07999	1.4
149.05962	18.5
149.09555	1.9
150.06720	2.7
151.03880	100.0
151.95781	1.2
153.05434	30.6
154.06212	1.6
157.10104	1.9
161.05934	1.5
161.09622	2.1
163.03926	2.1
163.07582	2.3
165.05475	4.8
166.06245	1.6
167.06989	10.4
171.11696	2.2
175.11220	1.8
177.05475	8.1
178.06197	25.2
179.07004	21.1
183.11752	1.3
195.06528	8.5
195.11655	1.3
196.07343	5.8
197.09764	1.2
197.13155	1.3
199.15009	1.1
207.06482	32.5
211.07460	1.9
225.16423	1.7
243.10126	1.5
247.08275	1.4
271.09665	1.5
283.09570	1.5
285.18454	2.4
295.16949	1.8
299.09082	1.7
303.12247	2.3
303.19507	2.3
305.21017	1.7
307.99570	1.7
313.10632	4.0
313.17859	2.7
331.11871	7.0
331.18988	6.3
349.12735	11.8
349.16577	1.9
349.19998	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	349.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95139	1.7
66.80442	1.4
72.04493	3.6
84.04495	30.2
84.08128	1.5
85.02893	2.8
89.20132	1.6
90.05529	4.0
98.18112	1.6
102.05521	38.8
113.06024	1.8
116.03394	1.7
118.52077	1.8
124.07624	2.0
130.04979	71.3
130.06506	7.9
136.06154	1.9
142.08636	8.3
144.06520	8.7
148.06021	79.5
150.09079	1.9
157.07576	9.0
172.06056	14.9
173.09206	8.0
183.07674	2.3
184.06041	8.3
184.09656	7.6
190.07249	2.3
201.08691	3.1
202.10712	3.8
202.12573	2.1
212.50011	1.8
217.56454	1.8
219.09720	100.0
260.10385	1.9
288.87494	2.0
324.11102	1.8
331.14963	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	349.2
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
61.94744	2.9
67.05505	6.0
68.54731	2.8
81.07034	5.3
93.07025	6.4
95.08582	5.6
95.11366	3.7
95.12057	3.8
97.06575	3.3
103.28862	3.4
105.07045	7.4
107.08580	6.5
109.06493	5.1
109.10163	11.8
119.08533	8.1
121.10093	5.8
127.14400	3.0
133.10074	8.0
134.29028	3.5
142.23293	3.5
145.10069	13.9
147.04457	3.7
157.10152	5.0
159.11606	14.4
163.07462	5.9
173.13155	5.1
183.11656	3.8
187.11174	4.7
187.14774	4.2
241.15735	3.7
257.18942	8.4
267.17401	3.8
284.96066	12.8
285.13574	3.8
285.18466	8.4
287.20038	5.0
302.97250	5.9
303.19458	24.8
313.17795	4.5
331.19031	26.9
349.19684	100.0
349.23828	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	349.2006
Annotation	Tricalysiolide B
Peak:m/z	Relative Intensity
50.86106	1.3
51.35028	1.1
51.36376	1.1
55.05501	8.8
57.03427	3.3
61.02924	2.1
61.32755	1.5
63.32276	1.3
67.05492	6.5
68.63955	1.3
69.03425	3.1
69.07063	7.9
71.04971	2.7
75.16267	1.4
79.05479	5.7
81.07034	13.9
83.04964	9.6
83.08614	5.9
85.06545	2.1
91.05475	6.6
93.07027	10.5
95.04955	6.4
95.08581	13.7
97.03014	1.7
97.06523	3.0
99.04453	2.9
101.05999	2.5
105.07021	17.2
107.08582	18.9
109.02903	1.8
109.06519	8.3
109.10136	10.8
111.08045	7.5
117.06998	3.3
119.08561	17.5
120.57279	1.4
121.06501	10.6
121.10126	13.3
123.08076	7.5
123.11703	1.9
125.09663	1.9
129.06990	2.0
131.08531	11.3
133.10120	14.9
135.08043	24.4
135.11682	6.6
137.09622	9.2
141.06943	1.6
143.08572	9.1
145.06474	5.6
145.10103	15.3
147.08060	7.0
147.11655	25.5
147.33636	1.6
149.09607	17.8
151.07495	3.0
155.08510	2.4
157.10124	11.5
159.08069	2.5
159.11635	11.7
161.09596	11.3
161.13213	3.4
163.07558	10.8
163.11185	7.1
165.09084	9.3
167.08536	2.6
169.10120	12.4
171.11679	12.5
171.35005	1.5
173.09621	2.8
173.13255	9.1
175.11186	6.9
177.09074	2.7
181.10104	2.1
183.11694	7.7
185.09651	2.6
185.13278	6.3
187.11200	3.7
187.14740	2.2
189.09158	2.8
189.12776	8.7
197.13231	8.6
199.11096	3.0
199.14806	6.4
201.09129	1.8
201.16325	1.6
203.10693	3.0
209.13272	8.3
211.11264	2.6
211.14813	20.6
212.15616	8.5
213.12968	2.4
213.16460	2.2
215.14299	6.9
220.12497	1.9
223.14813	2.9
225.12813	1.9
225.16391	10.0
227.14209	6.2
229.12198	3.2
229.15862	6.6
235.14879	2.7
239.14265	2.2
239.17743	2.2
241.15891	3.7
243.17430	2.9
251.14232	1.7
253.15810	11.6
254.16536	2.0
257.15390	3.2
257.18716	2.0
259.17041	1.7
267.17383	3.2
271.16864	16.8
275.20145	3.0
285.18497	8.8
289.17847	18.4
294.02881	2.0
295.16989	2.2
301.18146	2.7
303.19611	9.5
307.19034	9.8
313.17984	17.5
331.18994	91.3
331.22116	3.7
349.20050	100.0
349.23837	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	349.2007
Annotation	Gibberellin A14
Peak:m/z	Relative Intensity
51.87495	2.7
53.78537	2.8
57.48881	3.2
57.99846	3.4
62.30606	3.8
67.05489	7.0
69.03414	4.8
69.07059	5.2
71.04961	4.0
71.08595	3.3
76.75865	3.8
79.05479	7.4
81.07043	31.7
93.07034	22.8
95.04969	6.3
95.08595	26.4
97.06510	17.7
105.07002	17.1
107.08581	30.7
109.06504	6.8
109.10150	15.7
111.04437	4.5
111.08085	14.7
114.09134	24.2
117.06998	5.9
119.08588	19.3
121.06494	25.1
121.10113	24.2
123.08042	16.8
125.09572	4.6
131.08557	23.3
133.10088	22.3
135.08047	8.8
137.05980	6.4
137.09584	6.8
139.11197	8.2
143.08548	8.5
145.10124	25.1
147.08029	26.8
147.11662	7.2
149.05966	6.9
149.09599	20.6
155.08504	9.3
157.10092	22.1
159.08046	13.2
159.11670	26.0
161.09550	33.1
163.11194	24.5
169.10112	19.8
171.11639	22.9
173.09540	18.6
173.13228	8.3
175.11160	8.7
177.05417	5.8
177.09059	4.7
181.10114	6.2
183.11656	32.2
185.09583	16.7
185.13261	17.8
187.11134	18.5
187.14868	5.0
195.11787	6.0
197.13213	33.0
199.11221	5.0
201.12671	7.5
205.02780	4.8
209.13264	7.3
211.11166	17.2
211.14644	7.2
213.12730	18.7
215.10732	5.1
215.14249	8.6
223.14816	5.6
225.16335	14.1
227.14258	7.9
229.15855	5.5
239.11490	3.5
239.14235	15.0
239.17871	7.8
241.15813	15.7
243.17349	51.0
253.15800	5.3
257.15530	4.9
257.18924	6.9
267.17337	35.5
269.18970	16.0
271.16919	18.0
285.18457	52.3
287.20047	63.6
289.17932	21.1
295.16861	16.3
303.19543	73.0
304.77917	4.2
305.21045	76.7
313.17917	28.0
331.11499	5.3
331.18982	61.0
349.16275	7.6
349.20099	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	349.2006
Annotation	Gibberellin A53
Peak:m/z	Relative Intensity
53.38654	0.4
55.27394	0.4
62.86647	0.4
69.03408	2.5
69.07061	2.2
73.54914	0.5
79.05485	0.8
81.03397	2.3
81.07041	3.0
93.07028	3.0
94.77075	0.4
95.08594	2.7
97.06511	0.9
99.02106	0.4
105.07004	0.8
107.08588	3.7
109.06498	2.5
109.10157	1.1
114.11214	0.5
119.08579	5.3
119.20555	0.5
121.10118	1.9
121.64729	0.4
123.08028	1.1
123.11649	0.7
131.08502	0.5
133.10100	2.2
135.08044	14.8
135.11687	2.4
137.09599	3.5
145.10167	3.5
147.08038	16.2
147.11714	0.6
149.09592	3.0
157.10097	0.8
159.08096	0.5
159.11671	3.1
161.09572	6.6
161.13240	1.9
163.11140	1.1
169.10150	1.1
171.11592	1.8
173.09576	3.8
173.13261	0.9
175.11118	2.2
177.12724	26.6
183.11667	4.7
185.09613	0.8
187.11186	5.2
189.11275	0.6
189.12653	3.9
197.13190	1.8
199.11139	1.0
201.09074	2.1
201.12825	3.4
203.10619	2.7
211.11067	0.6
213.12843	0.5
215.10698	0.8
215.14287	4.4
215.17938	3.4
223.14746	0.7
225.12686	1.0
225.16324	6.7
227.14282	3.1
229.12044	0.6
229.15875	2.5
239.14201	0.6
239.17911	3.7
242.13007	1.1
243.13754	2.6
243.17400	5.7
252.14949	0.6
257.19043	1.1
267.17441	9.4
269.19095	0.6
271.16910	1.1
285.18451	54.8
303.19479	0.9
313.17880	1.1
331.19003	100.0
349.20114	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	349.2004
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
54.05447	1.4
58.49290	1.6
67.05489	2.9
69.07047	4.0
79.05472	4.6
81.07039	26.3
83.04962	2.0
90.23567	1.7
91.68683	1.7
93.07029	14.2
95.04908	2.3
95.08585	22.0
97.06512	15.0
102.10088	1.8
105.07025	10.7
107.08564	17.5
109.10146	12.9
111.08062	11.8
111.14612	2.0
112.03674	1.7
119.08540	8.4
121.06496	11.0
121.10120	23.7
123.08040	3.1
125.09652	3.2
129.05447	3.6
131.08524	8.2
133.10121	4.8
133.86479	1.9
135.08009	2.9
139.11147	11.3
143.08501	7.8
145.10097	10.9
147.08025	15.7
147.11638	3.6
149.09622	17.1
155.08553	8.1
157.10115	11.4
159.08017	2.3
159.11691	4.4
159.85110	2.2
161.09584	27.7
163.11145	25.5
169.10065	13.7
171.11617	14.2
173.09567	9.3
175.11136	8.8
178.68492	1.9
183.11639	11.5
185.09636	4.3
185.13203	18.0
187.11166	13.9
189.12741	4.0
195.11594	7.6
197.09607	2.0
197.13181	23.5
199.11111	3.9
201.12665	4.8
207.11548	3.1
209.13364	2.7
211.11116	3.6
211.14725	3.2
213.12666	10.0
215.14333	10.9
221.13286	2.4
223.14792	2.9
225.12744	4.8
226.13559	3.0
227.14304	11.0
229.15837	4.5
229.19591	2.1
239.14252	2.6
239.17924	8.1
241.15916	6.0
243.17293	3.2
249.16364	2.6
257.18909	10.1
267.17407	13.0
269.18918	24.9
283.16882	4.1
285.18542	21.1
287.19986	76.1
295.16827	3.2
301.17969	2.0
303.16418	2.5
303.19427	19.2
305.21042	100.0
305.24420	4.2
313.17880	10.4
331.18948	13.3
349.20026	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	349.2004
Annotation	Japodagrin
Peak:m/z	Relative Intensity
56.36323	1.0
60.90771	1.2
62.07487	1.0
63.76554	1.1
77.56181	1.1
78.40041	1.3
81.07056	2.5
83.04960	3.1
91.05444	1.5
95.04971	1.4
95.08570	1.3
106.03669	1.2
107.08555	2.6
109.06507	6.2
113.05981	5.3
117.06999	1.5
119.08570	4.4
121.06495	2.3
131.08571	2.4
133.10115	1.4
135.08032	14.5
135.11604	1.9
137.05943	1.7
143.08521	1.7
145.10123	2.7
147.08018	6.3
149.09706	1.4
155.08540	1.5
159.08026	2.0
159.11638	2.2
161.09483	1.9
163.11176	4.8
169.10022	2.1
171.11671	1.9
173.13246	1.7
175.11095	1.4
177.12680	1.6
183.11652	2.2
187.11093	5.4
188.03383	1.6
189.03775	2.8
189.12671	2.5
195.11716	1.3
199.11148	2.1
201.12717	3.0
205.12189	3.1
211.11105	1.5
213.12787	1.7
215.14395	1.5
219.13814	5.3
225.12729	2.1
225.16150	1.8
229.12157	2.3
231.13803	1.6
243.13803	2.1
243.17482	2.2
245.11797	1.6
245.18895	1.5
267.17249	5.8
271.16980	1.4
285.18472	10.7
292.94101	1.4
295.16864	49.3
303.19550	2.2
313.17938	8.5
331.18912	17.6
349.20041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
55.05495	9.3
57.03422	14.4
59.91045	1.5
62.74954	1.6
67.05474	10.8
69.07043	13.4
71.04972	2.9
79.05479	18.7
81.07037	20.1
83.04985	2.1
83.08575	3.8
85.06519	3.3
85.32935	1.8
86.82705	1.8
91.05450	16.9
93.07021	29.5
95.04944	3.1
95.08592	17.8
97.06499	3.8
101.09052	1.9
105.07000	34.7
107.08566	26.4
109.06492	3.7
109.10114	8.5
111.08036	7.8
117.06982	11.2
119.08576	26.5
121.06495	4.0
121.10114	15.7
123.08022	2.6
125.09615	1.7
129.06984	3.2
131.08540	27.1
133.10089	28.9
135.08023	7.5
135.11688	7.8
143.08528	10.0
145.06447	3.2
145.10083	37.1
147.07980	7.5
147.11652	20.3
148.36694	1.9
149.09547	8.0
151.07494	6.7
151.11089	2.3
155.08537	3.1
157.10057	12.5
159.08006	10.2
159.11627	26.2
160.60760	1.7
161.09619	6.2
161.13226	8.7
163.11111	3.5
169.10046	14.1
171.11668	8.1
173.09546	21.7
173.13211	10.7
175.14767	3.0
177.12758	1.9
179.06992	13.7
183.11613	14.2
185.13202	14.1
187.11131	7.0
187.14815	3.2
189.12735	3.5
191.10657	20.0
197.13156	14.0
201.12692	8.9
203.14240	3.6
205.08585	7.7
205.12259	2.9
215.10616	3.5
215.14247	27.0
215.17851	2.7
219.10034	2.8
219.17337	4.1
225.16354	4.3
229.15732	2.4
229.19504	2.5
239.14157	2.0
239.17889	11.6
243.13753	7.6
243.17365	32.4
244.14525	2.4
253.15756	2.7
257.18948	29.5
261.14813	12.7
271.16943	4.0
275.16812	2.1
275.19925	14.2
285.18466	19.9
301.52380	2.1
303.19464	100.0
313.17801	4.3
331.18918	23.3
331.22580	5.9
332.19241	7.8
349.19772	35.3
349.23706	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	349.2368
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.35562	0.6
54.18576	0.7
55.01866	1.0
55.05494	6.0
57.03430	13.7
57.07078	0.9
64.25199	0.9
67.05222	0.9
67.05496	14.3
69.07058	11.1
71.04968	1.4
75.04446	1.1
79.05475	16.3
81.07040	18.2
83.04955	1.8
83.08595	5.1
85.06532	1.7
91.05457	19.9
93.07024	21.3
95.04911	1.7
95.08588	18.1
97.06501	2.3
97.10153	1.6
99.08057	2.0
101.81156	1.3
105.07018	21.1
107.04934	4.7
107.08579	15.6
109.06499	2.0
109.10123	8.1
111.08038	1.5
113.05989	1.3
117.06979	17.3
119.08555	19.4
121.10139	7.6
123.07988	1.6
129.06964	5.2
131.08542	21.3
133.10100	21.2
135.08038	1.9
135.11630	5.4
137.09647	1.3
141.06993	2.0
143.08545	8.0
145.10101	35.5
147.11641	16.9
149.09544	4.1
149.13217	1.3
151.11095	1.3
155.08456	1.6
157.10097	10.9
159.11632	40.7
161.09607	4.8
161.13214	9.2
163.11148	2.3
169.10066	5.3
171.11655	6.6
173.13217	12.0
175.10950	1.3
175.14720	2.0
177.12663	1.3
183.11613	4.7
185.13263	8.7
187.11150	1.5
187.14844	1.5
197.13188	4.1
203.14305	1.6
207.81580	1.0
210.14093	1.3
211.14803	1.3
215.17854	1.1
219.13760	1.2
219.17387	2.4
229.15858	4.0
229.19444	3.9
239.17897	11.9
257.18939	24.5
275.20038	12.0
331.19025	3.2
331.22519	2.3
349.19830	8.7
349.23642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2366
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03917	1.1
53.91160	1.0
55.05490	8.1
57.03431	23.3
67.05502	18.5
69.03429	1.1
69.07061	9.4
71.04983	1.6
72.08128	6.7
79.05479	23.9
81.07049	24.7
83.04956	1.7
83.08594	6.3
85.05118	1.0
85.06529	5.0
91.05462	17.8
93.07027	28.1
95.04957	2.8
95.08591	19.7
97.06516	2.8
97.10145	4.8
103.49150	1.2
105.07020	33.8
107.08577	21.2
109.06495	4.3
109.10098	6.0
111.08070	1.7
117.07004	13.1
119.08557	36.0
121.06490	1.7
121.10126	9.8
123.08018	2.3
129.06987	7.0
131.08545	19.8
133.10103	24.2
135.08049	2.7
135.11646	7.3
137.09605	2.3
141.06940	1.3
143.08572	5.7
145.10101	33.2
147.08102	1.8
147.11662	19.1
149.09593	2.8
151.11162	1.7
155.08527	2.0
157.10069	10.6
159.11668	34.4
161.09596	1.4
161.13217	11.8
163.11153	1.9
169.10089	2.4
171.11684	2.7
173.13200	12.1
175.11096	1.3
175.14803	2.8
177.12621	1.2
183.11635	5.1
185.13216	12.1
187.11191	1.4
187.14751	2.4
197.13217	5.5
201.16302	1.5
203.14337	5.2
213.16422	1.5
215.17899	1.1
219.17427	5.6
229.19479	2.1
239.17990	9.6
257.18958	22.5
275.20026	16.9
331.18976	1.4
331.22635	5.8
349.19641	8.5
349.23654	100.0
349.31824	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	349.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.0
57.03426	18.4
67.05484	16.7
67.98993	1.8
69.07044	11.1
71.04973	2.9
79.05489	25.8
81.07044	27.7
83.08618	4.1
85.06516	3.2
91.05453	23.0
92.16806	2.2
93.07028	30.7
95.04930	2.4
95.08596	18.3
95.33353	1.7
97.06538	3.0
97.10152	3.7
99.04420	3.5
105.07009	41.2
107.08575	30.3
108.43465	2.0
109.06480	7.7
109.10149	10.6
111.08035	2.1
117.06987	17.1
119.08545	31.1
121.06432	4.6
121.10107	9.7
123.08030	3.0
129.06987	8.1
131.08548	25.0
133.10085	21.4
135.08009	2.7
135.11661	10.3
135.27602	2.1
143.08511	10.2
145.10083	40.4
147.07965	4.2
147.11662	27.3
149.09630	7.5
157.10092	12.4
159.07976	7.1
159.11642	37.8
159.36748	1.8
161.09554	3.7
161.13208	11.7
163.11131	4.8
165.09050	2.4
169.10112	7.3
171.11642	11.3
173.09575	10.6
173.13158	13.7
175.11159	3.6
179.07002	8.7
183.11633	10.7
185.13235	12.8
187.11081	4.9
187.14732	2.4
191.10663	11.6
197.13245	12.1
199.14760	3.0
201.12735	10.8
203.14310	4.4
205.08568	2.2
215.14230	17.8
215.17857	2.0
219.10080	2.7
219.17337	4.9
239.17828	11.1
243.13651	2.6
243.17444	20.0
257.18893	34.0
261.14838	4.3
267.17627	2.6
275.19989	17.6
285.18484	12.2
287.87134	2.3
289.17801	2.4
295.16782	2.6
303.16110	2.5
303.19464	60.5
313.17850	9.1
331.18802	12.3
331.22592	9.4
332.19601	3.8
349.19781	36.7
349.23691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.74977	0.3
52.07748	0.3
52.50824	0.4
54.71605	0.4
55.01855	0.4
55.05496	2.8
57.07058	1.7
62.59460	0.4
67.05493	4.0
69.07054	7.0
70.52038	0.4
71.04976	0.8
71.08611	1.0
79.05476	1.9
81.07047	8.4
83.04950	0.7
83.08601	4.3
83.28912	0.5
85.10166	0.5
91.05447	0.8
92.16810	0.6
93.07027	5.5
95.08588	7.7
97.06498	2.8
97.10146	1.0
105.07019	2.4
107.08584	7.1
109.06511	5.7
109.10159	4.8
111.08056	2.6
117.06971	0.6
119.08549	3.6
121.10111	5.3
123.08046	59.1
123.11664	2.8
129.72160	0.5
131.08521	2.0
133.10094	3.8
135.08009	2.0
135.11678	4.1
135.61278	0.4
137.09579	4.4
137.13220	0.8
145.10114	0.5
147.11641	2.9
149.09590	0.9
149.13217	3.1
151.11107	0.8
159.11652	1.8
161.13210	2.4
163.11128	0.7
165.12711	0.9
173.13170	0.7
175.14719	0.6
177.12645	0.9
179.14281	25.6
191.14146	0.5
201.16528	0.6
233.19002	0.8
275.19968	3.1
293.17786	0.9
293.21060	23.7
307.22534	1.1
331.26221	2.4
349.27316	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	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05503	1.8
58.34372	0.8
67.05502	1.0
69.07070	6.3
70.06592	1.2
71.08630	3.2
71.23201	0.8
79.05502	1.4
81.07058	5.0
83.08616	1.1
85.06546	1.0
90.25746	0.8
93.07018	1.4
94.06541	1.2
95.06079	1.6
95.08608	5.7
96.06881	0.9
97.10202	1.0
99.08121	0.9
100.72649	0.8
105.07047	1.2
107.08602	3.9
109.06506	5.5
109.07652	4.8
109.10163	3.4
121.10163	1.7
123.08038	6.7
123.11667	1.1
131.92183	0.8
140.14363	4.7
165.13882	4.2
166.14661	3.6
167.15396	7.4
179.14287	71.8
212.16493	1.6
221.16466	0.8
237.16019	1.2
239.17609	4.1
270.17557	0.9
331.27438	9.6
332.25793	1.5
349.28253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01864	0.5
56.61481	0.3
57.03422	1.6
58.67540	0.3
61.22168	0.3
67.59225	0.4
69.03075	0.5
69.03420	10.5
71.04974	2.3
73.02902	1.9
81.03409	6.9
84.08134	0.6
85.02897	3.6
85.06432	0.4
86.09673	1.9
87.04423	0.5
97.02889	3.3
99.04414	1.7
106.98615	0.4
109.02860	15.9
113.02319	0.6
116.07103	0.5
120.08072	1.0
123.66512	0.4
127.03893	2.5
132.04420	9.9
134.05917	0.7
144.04410	1.0
146.05963	0.8
146.23996	0.4
160.03908	2.7
161.04643	0.7
162.05470	57.0
164.03404	11.6
169.04903	0.5
173.12195	0.4
174.05450	2.0
178.05017	0.9
187.05980	0.8
188.03398	100.0
190.05011	0.9
206.04544	3.1
248.89503	0.5
314.06393	0.6
332.07385	2.1
350.08951	1.3
350.12839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81874	0.5
55.01865	1.1
55.05499	2.4
57.03432	4.3
57.07068	0.8
67.05494	5.9
69.07053	4.2
71.04982	0.6
71.08619	2.4
79.05476	5.0
81.07040	12.9
81.89581	0.6
83.04958	1.4
83.08603	3.4
85.06532	1.1
91.05449	1.5
93.07041	7.3
95.04953	0.8
95.08596	7.0
105.07038	2.8
107.08588	5.5
109.06499	5.4
109.10123	5.0
111.04430	11.9
111.08080	0.8
117.07024	0.9
119.08542	5.6
121.10139	5.3
123.11677	1.2
125.05974	3.5
131.08549	1.0
133.10072	4.9
135.08101	0.9
135.11679	5.2
137.05960	100.0
142.10147	0.7
143.08589	0.7
145.10112	2.5
147.07967	0.9
147.11673	7.8
149.09583	1.4
149.13225	2.8
151.07526	2.8
151.11201	0.8
157.10135	1.3
159.11671	1.1
160.21109	0.7
161.09613	4.7
161.13210	4.1
163.11142	3.6
163.14815	0.8
165.09056	1.4
165.12659	0.8
167.10689	0.7
171.11702	2.5
173.13214	1.1
175.11139	3.9
175.14755	1.1
179.10658	1.4
185.13303	1.1
189.12729	2.2
202.07755	0.7
203.14165	0.7
203.17917	4.9
213.16315	1.4
220.08809	1.4
221.19104	1.1
231.08047	8.8
231.17377	3.6
232.08888	1.2
233.09584	1.1
241.19470	1.0
245.09508	0.9
247.07533	3.1
248.08293	7.7
248.46509	0.7
249.18509	4.6
258.06647	3.1
259.07529	9.5
259.20535	2.8
259.24579	0.9
260.08340	4.4
261.05542	0.8
261.09109	1.0
263.10593	3.0
273.05969	1.1
273.09042	24.3
274.06274	1.0
274.09781	1.3
275.07059	2.8
276.07779	15.5
276.42401	0.6
277.17941	29.4
277.21063	1.2
287.07080	1.4
288.07690	0.8
289.05237	1.3
289.08530	13.0
290.09323	17.2
291.10117	15.3
293.08026	1.4
295.18958	4.8
301.08505	11.7
304.07266	15.2
305.07983	6.4
307.09427	0.7
318.08850	2.8
319.09592	53.9
320.10373	13.2
333.20749	0.8
333.24280	0.8
336.09882	3.0
351.12231	65.1
351.21558	36.5
351.25342	10.2
351.29178	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	351.1796
Annotation	Gibberellin A82
Peak:m/z	Relative Intensity
55.05507	1.7
55.78311	1.0
59.89430	0.8
63.22416	0.9
63.42291	0.9
67.05499	1.6
67.55761	0.8
69.03403	2.0
69.07043	6.2
71.01337	10.3
71.04978	1.0
71.08691	0.8
74.38868	0.8
77.66177	0.9
79.05439	1.7
81.07046	2.3
83.04964	5.8
83.08598	5.8
85.06516	3.8
91.05445	2.0
93.07040	10.0
95.04928	2.1
95.08585	7.8
97.06506	4.6
99.04457	1.9
105.07005	5.9
107.04945	1.1
107.08595	7.7
109.06512	8.6
109.10138	36.3
111.08102	2.5
113.06023	1.1
117.06966	1.7
119.04852	1.5
119.08540	10.3
121.06470	13.2
121.10110	16.4
123.08034	6.4
123.11678	1.4
125.09608	1.2
129.06973	1.0
131.08525	5.3
133.06491	1.7
133.10094	6.6
135.08084	8.1
135.11676	12.9
137.09586	3.9
139.07539	1.4
143.08525	6.2
145.06490	1.2
145.10068	8.6
147.04381	1.9
147.08015	10.9
147.11642	5.1
149.05956	3.9
149.09573	4.9
151.07504	1.6
153.05482	4.2
155.08537	1.7
157.10152	8.2
159.07991	5.0
159.11656	8.0
161.09616	7.3
161.13208	13.4
163.07552	1.9
163.11180	1.8
165.05428	31.4
165.09103	1.3
165.63651	1.0
169.10161	2.5
171.08070	1.3
171.11658	5.8
173.09560	6.6
173.13263	4.2
175.07478	1.7
175.11182	4.5
177.05426	6.1
177.08958	1.0
177.12723	1.1
179.06960	3.9
179.10582	1.2
181.10143	2.2
183.11673	5.0
185.09590	2.3
185.13248	6.4
187.07552	1.1
187.11104	4.9
187.14772	1.4
189.09074	5.5
189.12616	4.3
191.07030	2.3
193.08548	8.1
193.10126	1.4
193.12144	1.3
195.11671	2.0
197.13235	4.9
199.11113	1.9
199.14774	6.3
201.09152	3.7
201.12669	1.8
203.07027	1.2
203.10620	2.3
205.12254	2.4
207.09949	1.7
209.13286	1.7
211.11176	1.5
211.14763	1.5
213.12648	1.9
213.16411	2.1
215.10580	4.1
215.14284	1.3
217.08470	1.6
217.12292	1.4
219.10065	2.3
221.11647	1.3
223.14822	7.4
227.14189	3.0
229.12231	3.8
229.15973	1.4
231.10120	1.7
233.11630	2.4
239.17894	2.1
241.15930	7.6
243.13803	4.1
243.17465	2.4
245.11745	4.4
245.15367	4.6
247.13293	7.3
251.14421	2.3
251.17686	1.5
255.13678	2.1
255.17328	1.3
257.19019	2.3
259.16815	2.2
261.14828	2.2
263.12790	1.9
263.16522	1.7
269.15295	11.4
269.18896	4.2
273.14767	5.4
273.18378	1.9
287.16385	59.9
287.19901	5.5
291.16141	1.3
297.14755	4.2
297.18387	3.9
303.19449	6.6
305.14026	1.9
305.17429	41.8
305.20779	2.1
315.15823	19.1
315.19501	9.1
321.20569	4.4
333.16855	59.1
333.20572	14.2
347.31943	1.0
351.17914	100.0
351.21613	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	351.2154
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
51.39571	2.7
66.26675	3.1
68.82589	3.8
69.03407	5.2
69.07051	26.1
71.04963	4.4
75.85448	3.0
77.81251	3.3
79.05474	6.6
81.03388	5.3
81.07048	18.8
83.04956	5.8
83.08585	4.8
91.05441	6.4
93.07019	15.4
95.08588	21.9
96.08096	36.4
97.06525	4.7
105.06999	22.5
105.23302	3.3
107.08579	20.5
109.06554	6.8
109.10122	24.1
111.04397	5.6
111.08059	3.4
114.09132	62.2
115.99328	3.5
119.04961	4.3
119.08551	26.2
121.06461	16.0
121.10117	24.3
123.11689	5.7
125.05914	3.7
129.06976	4.5
131.08548	17.3
133.06441	5.1
133.10118	32.9
135.08026	22.7
137.05936	4.7
137.09608	8.0
143.08519	14.1
145.10074	18.3
147.07988	5.1
147.11649	7.9
149.09589	30.9
151.07651	4.1
151.11067	5.8
155.08528	5.6
157.10098	21.2
159.08046	6.6
159.11646	23.5
161.09584	17.5
161.13174	3.9
163.07503	21.5
163.11208	4.5
169.10095	5.9
171.11594	29.2
173.09622	5.2
173.13216	19.5
175.03856	13.8
175.11154	14.6
177.09143	5.2
179.34396	3.6
183.11667	8.1
185.09767	3.9
185.13196	17.9
187.11154	4.9
189.12708	7.4
195.11523	10.1
197.13248	6.5
199.14777	23.3
201.16400	4.6
203.10666	4.3
207.06517	14.2
209.13329	6.2
209.16408	4.9
213.12685	7.7
216.16399	4.1
217.12306	4.7
217.32230	3.8
220.14844	5.6
222.13823	8.0
225.16405	5.9
227.17827	6.0
228.66229	4.0
229.15457	19.1
237.16269	22.4
238.15991	5.0
239.17964	4.4
241.15739	7.1
251.17871	4.3
255.17329	6.4
269.18881	6.4
270.69156	4.5
273.18533	6.4
279.17307	5.5
279.24158	4.2
285.69684	16.7
287.19870	5.9
291.19360	5.6
297.18481	27.9
305.21027	6.5
315.19427	53.7
333.16675	5.7
333.20474	100.0
342.24039	20.0
351.21500	56.9
351.24585	53.0
362.22495	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	351.216
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
55.05496	4.0
57.20900	1.9
59.04991	2.2
67.05498	10.8
67.77335	2.5
69.07053	11.2
79.05495	5.3
81.07046	13.7
83.04956	3.0
83.08606	8.0
87.04455	2.3
93.07017	14.5
95.04916	2.0
95.08602	18.1
97.06518	12.3
105.07031	4.6
107.08576	8.7
109.06512	2.6
109.10134	18.1
111.08041	3.7
116.88355	2.4
119.08555	10.6
121.06516	10.2
121.10110	17.8
123.08004	2.3
125.05956	13.7
131.08580	3.6
133.10143	14.0
135.08037	4.7
135.11676	10.4
137.09595	3.1
143.08574	3.1
145.10062	3.5
147.08032	12.8
147.11676	9.5
149.09590	4.0
151.11125	4.0
157.10130	4.5
159.07953	3.4
159.11728	10.5
161.09598	4.2
161.13257	5.7
163.07590	17.9
165.12842	3.0
169.10068	3.2
171.11684	10.3
173.09569	9.4
173.13240	12.4
175.11195	4.2
177.09108	2.7
185.09668	4.4
185.13245	3.2
189.09070	4.0
189.12727	4.4
191.14250	2.7
192.33882	2.5
195.11839	3.2
197.13283	3.3
199.11122	3.7
199.14909	3.7
213.12700	5.1
215.14182	4.0
217.12210	3.4
217.71254	2.5
219.13715	2.7
223.14584	2.2
227.17892	3.9
231.13705	4.7
237.16403	9.3
239.14272	4.3
241.15842	4.3
254.16685	2.8
255.17386	11.5
259.20712	3.1
269.19070	4.3
273.09192	3.6
273.18542	9.0
276.07745	2.7
279.17389	4.5
285.18433	4.7
297.18469	32.1
315.19489	47.0
319.09680	4.5
320.10483	3.2
333.16602	4.1
333.20551	100.0
333.24411	4.0
351.12552	18.3
351.21536	98.4
351.25320	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	351.216
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
53.79046	3.2
56.96547	2.7
58.14398	2.8
74.05507	2.9
81.07019	3.4
91.05448	4.0
91.54782	3.0
93.07050	3.8
95.08563	5.3
105.07057	3.8
107.08563	7.3
109.06495	3.2
114.09187	3.9
119.08581	6.1
121.10106	6.6
123.08086	4.5
131.08617	4.0
133.10149	5.7
143.08565	3.6
149.09653	7.1
157.10089	6.3
159.11630	4.0
272.38370	4.0
287.20010	7.2
288.46042	3.4
298.64618	3.5
315.19489	5.7
333.17023	4.7
333.20450	25.6
351.17599	35.1
351.21451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.216
Annotation	Flexibolide
Peak:m/z	Relative Intensity
55.01850	1.1
55.05497	3.0
57.03423	3.0
58.29500	0.6
59.49319	0.6
67.05490	5.9
69.07044	3.1
79.05472	3.8
81.07040	14.3
83.08602	1.3
85.06516	0.7
91.05447	1.0
93.07011	5.5
95.08573	6.8
97.06486	1.0
105.07011	4.0
107.08580	5.6
109.06498	5.5
109.10121	3.5
111.04431	14.1
111.07979	0.9
119.08552	6.3
121.10115	4.2
123.08064	1.1
123.11726	1.7
125.05955	3.4
131.04945	1.1
131.08582	1.2
132.74768	0.8
133.10080	5.2
135.08038	1.6
135.11662	4.4
137.05957	100.0
145.10074	1.7
147.11664	7.0
149.09581	1.8
149.13216	3.3
149.24747	0.8
151.07549	3.1
157.10132	1.3
159.11598	1.2
161.09558	6.4
161.13219	4.7
163.11102	3.1
163.14790	1.0
165.09094	1.2
165.12689	0.9
168.94429	0.7
175.11102	5.2
175.14803	1.0
179.10681	1.2
203.08694	1.0
203.17932	3.7
213.16287	3.3
215.08485	0.8
220.08781	0.9
221.18968	1.2
230.07053	1.1
231.07994	7.8
231.17416	3.7
232.08844	1.8
247.07463	1.4
248.08270	5.9
249.18425	3.8
258.06775	2.9
259.07486	6.6
259.20514	2.8
260.08243	4.0
261.09076	1.8
263.10583	4.2
273.09058	22.7
275.06989	1.6
276.07751	15.9
277.17944	26.0
277.21082	1.3
289.05331	1.4
289.08557	7.7
290.09308	15.4
291.10046	13.6
293.08142	1.6
295.18869	6.1
301.08551	11.1
304.07239	15.4
305.08017	7.4
318.08859	1.2
319.09589	46.7
320.10352	14.5
336.09854	1.6
351.12210	51.2
351.21512	36.2
351.25339	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	351.2157
Annotation	CHEBI:68872
Peak:m/z	Relative Intensity
53.03949	6.4
56.75477	5.0
57.03444	6.7
69.03404	13.8
69.07049	9.5
79.05474	14.5
81.03394	36.6
81.07034	70.5
84.37569	5.8
85.02875	7.1
85.06536	5.9
90.48721	5.6
91.05453	25.6
93.07022	50.1
95.08579	67.0
97.06502	8.2
104.05305	28.3
105.06985	72.3
107.08595	45.8
109.02844	25.6
109.06493	6.6
109.10110	49.0
113.05943	8.2
119.04906	25.8
119.08544	39.1
119.37382	5.8
121.10098	82.8
123.08044	8.1
125.09605	8.1
127.08639	12.0
131.08522	70.4
133.03157	27.4
133.10103	71.0
135.07976	7.0
135.11659	7.9
139.11118	30.7
143.08574	13.1
145.10094	100.0
147.04402	46.5
147.08029	8.4
147.11659	82.0
149.09549	25.0
150.05806	40.7
155.08492	12.8
157.10062	36.4
159.11658	37.5
162.05469	38.3
163.05806	38.9
163.11177	9.8
164.03365	12.0
165.03748	6.9
169.10103	28.4
171.11610	15.5
173.13110	8.7
175.03860	80.0
183.11662	30.2
185.13187	25.0
188.03404	63.7
189.03709	74.7
191.10663	10.1
195.11694	32.9
197.13275	25.7
199.14783	11.0
207.06465	97.4
209.13210	15.4
211.14757	49.2
213.16315	8.5
221.09442	66.2
223.14833	11.6
225.16351	25.1
227.17827	12.9
239.17842	10.2
241.19600	10.1
244.91373	8.0
249.95723	8.4
251.17795	48.2
255.17459	7.8
257.15186	7.8
257.18848	7.8
269.18851	66.8
271.20346	25.0
273.18243	8.7
275.16196	6.6
285.18546	31.9
287.19983	92.7
289.21600	27.5
291.19376	11.5
297.18396	58.4
303.19165	11.7
305.21118	44.0
308.06650	12.3
315.19476	86.2
333.14499	7.0
333.20572	80.7
342.71887	6.4
351.08682	43.1
351.17584	8.8
351.21457	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	351.2162
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
55.05509	3.6
57.07049	1.9
60.69695	1.6
61.02913	2.3
67.05466	3.1
69.07052	17.0
71.04988	2.2
79.05474	3.6
81.07066	13.8
83.04964	16.0
83.08611	10.2
85.33849	2.0
87.04453	2.2
91.05434	3.5
93.07018	14.3
95.04951	2.5
95.08595	16.4
97.06514	2.8
105.06992	20.6
107.08570	22.8
109.06484	3.8
109.10136	21.9
111.08095	2.5
117.06983	3.0
119.08571	17.6
120.76248	1.7
121.06489	14.9
121.10123	20.9
123.08038	4.1
123.11674	4.8
129.06947	2.4
131.08533	20.1
133.10103	21.4
135.08026	25.0
135.11705	9.1
136.47900	2.0
137.09592	4.1
143.08545	13.2
145.06480	3.5
145.10103	18.1
147.04402	7.8
147.08032	14.5
147.11655	11.6
149.09587	36.6
151.11172	7.7
155.08540	3.0
157.10100	20.7
159.08037	3.4
159.11655	31.6
161.09596	9.2
161.13235	3.8
163.07503	10.6
163.11198	8.5
169.08804	2.1
169.10065	14.6
171.11652	29.7
173.09570	4.1
173.13223	25.5
175.11205	3.7
175.14861	2.7
177.09058	4.2
180.09271	1.9
181.10141	4.0
183.11671	12.4
185.13248	12.6
187.11147	3.2
187.14771	4.4
189.09169	2.6
189.12717	4.3
191.14339	2.7
194.47636	2.0
195.10109	2.7
195.11623	15.1
197.13264	8.7
199.10986	4.7
199.14774	29.4
201.16393	11.8
205.12231	2.8
207.11734	3.3
209.13240	9.2
211.14862	9.3
213.12675	3.2
213.16380	8.7
217.12199	1.9
220.12463	3.4
222.13884	2.2
223.14801	3.1
223.36166	1.8
225.16286	2.4
227.14322	3.4
227.17874	14.6
231.13792	8.0
233.89610	2.3
235.14874	2.9
237.16374	16.0
238.17270	2.0
239.18018	7.8
245.15228	2.4
251.17987	11.2
255.17400	10.1
269.18964	11.2
271.16812	2.9
273.18427	13.2
279.17365	3.9
287.17105	2.8
287.19968	16.1
291.19360	2.9
297.18448	33.5
303.19513	3.2
305.21039	9.9
315.16360	2.6
315.19513	62.9
317.21402	1.9
333.17395	4.0
333.20557	100.0
351.18060	3.9
351.21603	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	351.2161
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
51.74246	1.9
55.05498	3.0
61.02925	2.7
63.72829	1.9
67.05488	3.1
69.03409	2.5
69.07059	11.8
70.58220	2.6
81.07028	4.6
81.48398	2.2
83.04976	13.6
83.08601	3.5
83.10678	2.2
93.07022	11.0
95.04948	3.6
95.08569	14.6
105.07022	11.4
107.08596	17.2
109.06505	2.7
109.10150	20.0
119.08557	19.8
121.06470	11.8
121.10168	18.5
123.11643	3.6
131.08536	22.4
133.06363	2.8
133.10117	23.1
135.08060	16.4
135.11731	5.5
137.09628	4.0
139.11191	4.8
143.08565	13.2
144.09448	2.8
145.10129	13.3
147.08023	12.6
147.11644	9.1
149.09601	23.4
155.08565	3.4
157.10114	20.0
159.08029	3.6
159.11630	26.9
161.09607	10.7
161.13162	3.1
163.07487	13.4
163.11156	4.8
169.10098	13.7
171.11638	26.7
173.09589	5.3
173.13281	20.7
175.11198	3.4
175.14803	2.8
177.08998	3.1
181.10045	3.3
183.11642	10.7
185.13226	4.6
187.11124	4.0
187.14946	3.8
189.08896	2.9
189.12650	3.2
194.10889	2.7
195.11661	13.9
196.12447	2.9
197.13274	5.4
199.14809	22.2
201.16309	5.6
203.10631	2.9
207.11710	2.7
209.13196	5.7
211.14821	5.0
213.12846	4.1
213.16396	12.7
215.14276	2.6
217.12204	4.0
223.14799	2.8
227.17903	11.9
231.13908	3.9
235.14738	3.3
237.16380	17.8
238.17125	3.0
239.17863	9.6
251.17883	3.2
253.16077	2.5
255.17426	11.7
269.18893	2.8
273.18488	12.8
279.17508	4.4
285.18515	3.1
287.20013	12.5
291.19507	9.4
297.18484	22.3
297.21399	2.8
303.19580	3.9
305.21133	5.2
315.19531	67.1
315.22995	2.6
333.16583	4.5
333.20526	100.0
333.24307	5.0
351.17749	4.2
351.21579	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	351.2157
Annotation	Pedunculatic acid
Peak:m/z	Relative Intensity
52.98805	0.9
55.05495	1.5
57.03413	1.1
67.05470	5.5
69.07051	1.7
71.04964	1.3
81.07031	10.2
83.08552	1.3
85.06490	1.5
91.05438	1.9
93.07003	7.3
95.08570	13.8
97.06502	1.5
99.04432	2.3
105.06997	7.7
107.08559	11.4
109.06485	1.9
109.10130	74.5
110.83162	1.2
110.83994	1.1
111.08056	2.6
112.01742	1.2
119.08560	10.4
121.06465	4.5
121.10114	10.2
123.08032	5.0
125.05927	1.2
127.07534	1.4
131.08525	6.7
133.10062	8.2
135.08028	6.8
135.11646	2.2
137.09576	7.3
139.07567	1.4
143.08507	2.3
145.10057	8.8
147.08058	5.5
147.11671	7.8
149.09587	5.7
149.13213	1.3
151.11182	1.4
153.09024	1.3
157.10077	5.6
159.07973	1.7
159.11606	8.0
161.09572	5.4
163.11101	2.5
165.09099	1.7
169.10065	2.5
171.11632	9.5
173.09579	1.7
173.13184	4.8
175.11081	4.9
177.05524	1.4
177.12717	1.9
181.10159	1.3
183.11653	2.2
185.09605	1.7
185.13229	7.2
186.14093	1.5
187.11090	2.9
187.14771	2.8
189.12698	4.9
195.11714	2.9
197.13232	5.3
199.11179	2.4
199.14761	2.1
201.12675	6.7
201.16426	1.5
205.12187	6.5
207.06628	1.3
209.13173	2.4
211.14772	4.3
213.12724	7.1
213.16345	2.4
215.14299	6.0
223.13133	2.9
223.15083	1.9
225.16295	6.5
227.14227	7.0
227.17845	24.6
229.15762	4.2
231.13756	2.8
239.17894	2.8
241.15839	1.7
241.19475	6.9
243.17360	4.9
245.18929	6.6
245.22948	1.6
251.17903	7.9
257.19098	9.1
259.20544	5.5
269.18921	28.4
287.19989	34.4
297.18533	5.0
303.19406	5.0
305.21042	74.0
315.19446	13.3
333.20496	100.0
351.21555	72.8
351.29095	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	351.2158
Annotation	Angustanoic acid D
Peak:m/z	Relative Intensity
53.54988	0.7
55.05490	0.8
57.27919	0.7
61.02905	1.0
67.05474	3.7
69.03373	1.1
69.07040	1.2
81.07036	6.9
81.39907	0.8
83.04969	1.2
83.46925	0.8
89.13131	0.8
91.05421	1.5
93.07009	3.5
95.08568	9.9
105.06991	5.0
107.08524	4.6
109.02811	1.1
109.06483	1.8
109.10126	100.0
119.08523	1.9
121.06467	1.3
121.10094	3.3
123.07998	1.2
123.11689	1.0
131.08513	1.9
133.10065	4.4
135.07988	1.9
135.11665	1.4
137.09575	1.9
143.08502	1.4
145.06499	0.9
145.10033	3.8
147.04366	4.4
147.07996	4.2
147.11639	1.6
149.09567	4.0
149.13213	1.2
157.10081	4.6
159.08003	3.2
159.11617	4.7
161.09561	3.7
161.12973	1.0
163.11078	3.1
167.10596	0.8
169.10014	2.1
171.11586	7.2
173.09566	1.1
173.13208	3.7
175.11101	1.5
177.12766	1.7
183.11670	1.8
185.09595	1.5
185.13129	3.1
187.11137	4.9
187.14786	3.2
189.12665	1.8
195.11650	1.5
197.13004	0.9
199.11154	3.7
199.14726	1.5
201.12646	6.7
201.16278	1.9
203.14281	1.1
205.12111	5.5
209.13196	3.6
211.14832	1.2
213.12709	4.6
213.16188	1.1
215.14330	1.7
217.12138	1.5
219.13736	1.4
223.13120	5.8
225.16406	3.3
227.14154	3.9
227.17857	17.6
229.15814	2.0
231.13789	1.8
237.14742	1.2
239.17867	1.6
241.15747	1.1
241.19370	5.9
243.17331	5.7
245.15253	1.0
245.18991	6.7
251.17885	4.7
257.18924	6.7
259.20395	4.1
269.18915	24.1
287.19962	31.1
291.92413	1.0
305.21011	68.6
315.19440	3.7
333.20496	95.4
351.21521	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85391	1.1
53.00308	2.4
54.15402	1.2
55.01873	10.9
55.05512	18.5
57.03442	14.1
57.07061	6.0
65.03944	1.3
67.05503	35.4
69.03436	2.4
69.07070	15.3
71.04985	3.0
71.08627	35.6
79.05485	24.6
80.49995	1.2
81.03432	3.2
81.07059	32.5
83.04993	8.8
83.08608	9.5
85.06520	3.3
85.10172	3.2
91.05471	13.3
93.07037	33.2
95.04958	11.5
95.08605	29.2
97.06512	7.9
97.10162	8.4
99.04448	3.3
99.08086	19.2
105.07050	13.8
107.04948	3.1
107.08603	27.4
109.06524	7.9
109.10147	22.5
111.08070	18.7
113.09597	1.8
113.14340	1.5
117.07001	2.4
119.08562	12.6
121.06505	2.0
121.10143	15.8
123.08012	1.8
123.11709	6.4
125.09596	1.8
129.07050	1.7
131.08595	5.6
133.10135	16.0
135.08058	3.1
135.11650	15.3
137.09608	9.1
139.11211	1.9
143.08572	3.0
145.10132	9.0
147.04338	4.3
147.11647	12.3
149.09604	5.9
149.13261	6.6
151.11192	13.8
153.12694	1.6
157.10147	2.5
159.11742	3.4
161.09601	2.4
161.13260	11.4
163.11182	2.9
163.14758	1.8
165.12744	7.9
171.11728	2.9
173.13214	3.2
175.11131	3.3
175.14853	3.2
179.14296	3.3
185.13246	2.6
199.14812	2.7
221.59441	1.6
222.93565	1.6
225.74854	1.6
231.21068	1.7
241.19481	3.3
249.22124	1.5
259.20566	8.2
269.19025	1.7
277.21628	35.5
291.10095	1.4
297.18442	2.5
305.17419	3.0
315.19516	3.3
317.03931	1.6
333.17133	1.5
333.20575	11.1
351.21378	23.6
351.25305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	14.9
55.05516	14.2
57.03427	8.5
57.07067	7.3
67.05498	31.3
68.96066	1.4
69.07057	17.9
69.88857	1.2
71.04982	5.4
71.08620	22.5
75.34928	1.5
79.05481	21.8
81.03394	1.7
81.07050	33.4
83.04970	5.4
83.08610	10.6
85.06544	3.0
85.10147	5.7
91.05466	15.7
93.07034	26.8
95.04955	7.8
95.08057	1.5
95.08601	31.2
97.06527	8.6
97.10152	8.3
99.08067	9.7
101.06048	1.4
105.07032	18.6
107.04968	2.8
107.08588	21.2
109.06497	3.2
109.10153	12.5
111.08057	19.4
113.09632	2.5
117.07010	3.0
119.04959	1.7
119.08567	17.5
121.06467	2.1
121.10112	14.6
123.08061	2.9
123.11687	5.8
125.09575	4.9
127.07583	1.3
127.08671	1.3
131.08540	3.0
133.10118	16.4
135.08028	1.4
135.11681	10.3
136.67558	1.4
137.09592	5.7
137.13167	1.9
143.08546	5.1
145.10129	8.0
147.04379	19.5
147.11612	13.3
149.09605	2.7
149.13229	5.4
151.11176	9.1
157.10126	2.0
159.11740	3.3
161.13219	8.1
163.11134	3.1
165.12730	7.6
171.11678	7.1
172.43385	1.4
175.14732	2.9
175.78876	1.2
179.14319	2.0
185.13191	1.7
187.14796	1.9
199.14812	1.5
227.17987	2.1
233.66176	1.5
241.19505	1.9
259.20578	8.4
277.21576	33.0
287.20016	1.4
315.19263	1.8
333.20416	8.7
351.12524	4.8
351.21356	76.8
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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05506	12.1
57.03422	7.7
57.07060	2.9
67.05189	1.7
67.05500	37.2
69.07054	15.4
71.04960	2.4
71.08622	34.6
71.59190	1.4
74.53724	1.2
79.05479	27.8
81.03383	1.6
81.07046	33.8
83.04966	3.7
83.08602	12.6
85.73394	1.5
91.05477	16.6
91.83028	1.8
93.07022	41.1
95.04933	6.3
95.08596	25.3
97.06506	3.6
97.10121	7.0
99.08087	15.6
105.07014	19.7
107.04944	2.3
107.08581	25.8
109.06489	3.1
109.10144	16.3
109.95838	1.6
111.08055	2.4
117.06989	7.6
119.08566	23.6
121.10132	16.4
123.11693	2.4
125.09606	2.6
130.49829	1.6
131.08507	6.3
133.10101	24.5
134.64059	1.5
135.08023	3.1
135.11671	20.5
137.09572	2.4
143.08531	6.7
145.10109	13.7
147.04395	1.8
147.08037	2.0
147.11656	20.5
148.08371	2.0
149.09583	3.0
149.13237	7.0
151.11162	12.0
157.10173	5.5
159.11699	12.4
161.13176	18.8
163.11099	6.1
163.14758	3.6
165.12703	3.4
171.11656	8.8
173.13232	3.3
175.14784	7.4
177.12732	1.7
179.14360	7.0
185.13200	6.2
189.12627	2.5
199.14825	2.4
203.14363	1.7
213.16322	1.7
223.14532	1.8
231.58502	1.7
241.19385	10.6
259.20514	20.8
269.18704	2.0
277.21634	13.6
287.19101	20.1
315.19403	3.1
324.24139	1.7
333.19656	33.1
351.12262	7.9
351.21213	9.9
351.25211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05513	13.4
57.03433	10.9
57.07069	2.3
62.81516	0.9
67.05505	50.6
68.57832	1.1
69.03413	1.0
69.07063	13.2
71.05003	2.3
71.08637	8.2
73.24927	1.0
74.54026	1.0
79.05490	23.4
81.03421	8.5
81.07056	29.3
83.04966	6.1
83.08610	7.8
85.06550	1.2
85.53159	1.0
88.56773	1.1
91.05467	15.4
93.07036	34.0
94.50841	1.2
95.04974	11.4
95.08598	19.8
97.06532	1.9
97.10156	15.3
99.08074	5.7
105.07029	16.9
107.08591	31.9
109.06528	2.8
109.10140	19.4
111.08069	1.1
117.06985	4.4
119.08574	15.6
121.10118	15.3
123.08045	1.9
123.11626	1.6
125.09608	7.9
129.06992	2.5
131.08553	6.2
131.44312	1.0
133.10118	16.6
134.43419	1.1
135.08046	2.1
135.11684	14.5
137.13242	1.2
143.08568	2.0
145.10092	6.4
147.11664	13.1
149.13225	9.2
151.11192	9.6
157.10104	1.7
159.11658	2.7
161.13306	10.0
163.11168	1.8
163.14757	2.5
165.12624	1.3
171.11649	5.1
173.13197	2.6
175.14813	4.6
179.14282	2.2
185.13289	2.4
189.11276	1.8
231.21086	2.0
241.19463	6.1
259.07626	1.4
259.20514	17.2
276.07794	6.2
277.21597	26.5
289.08600	2.7
290.09338	10.7
291.10199	2.2
293.08118	2.1
318.08820	4.4
319.09662	6.1
321.07678	4.6
329.44220	1.5
336.09775	2.5
351.12253	32.2
351.21667	5.7
351.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70355	2.2
55.05489	5.5
57.07066	3.5
65.70944	1.8
67.05492	26.3
67.59886	2.1
69.07043	13.8
77.32391	2.0
79.05480	39.2
79.05894	4.0
81.07043	40.0
83.08608	4.7
91.05470	24.3
92.98775	2.1
93.07018	56.9
95.08598	24.4
96.10896	2.3
97.06526	4.7
97.10125	5.0
99.08070	3.3
105.07002	38.5
107.08572	36.9
109.06485	2.5
109.10126	11.1
117.06959	3.3
119.08548	37.5
121.10120	43.1
123.07990	2.2
123.11594	3.0
129.06976	3.1
131.08528	14.9
133.10089	43.5
134.68233	2.5
135.11665	28.5
143.08542	4.8
145.10117	12.9
147.11638	36.8
149.13275	12.3
157.10095	5.1
159.11655	18.9
161.13196	27.6
163.14774	3.7
171.11592	9.6
173.13179	10.6
175.14812	9.0
185.13219	10.3
199.14813	4.0
201.16348	2.9
241.19382	17.7
252.91998	3.2
259.20447	55.4
277.21655	2.9
278.59091	2.5
351.20865	4.7
351.25168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57732	1.1
53.46412	1.1
54.25835	1.1
55.05507	8.5
57.03431	6.5
57.07054	4.7
67.05497	27.5
68.56268	1.1
69.07056	11.5
70.04069	85.6
70.04455	3.0
71.04985	1.6
79.05480	34.0
79.60741	1.2
81.06599	1.9
81.07050	37.2
83.08598	7.1
91.05467	28.1
93.07034	61.4
94.34281	1.2
95.04932	2.5
95.08595	25.4
97.10173	1.8
98.63006	1.1
99.08089	1.7
105.07019	36.5
107.08587	46.7
109.10140	13.6
117.07001	5.8
119.08559	38.0
121.06519	1.1
121.10126	37.4
123.11695	2.1
127.01213	1.6
129.07011	4.8
131.08575	13.1
133.00021	1.2
133.10104	41.0
135.11678	31.9
139.11140	1.1
143.08531	6.2
145.10124	18.5
147.05624	1.1
147.11659	34.8
149.09601	1.8
149.13260	19.1
153.02751	1.8
157.10117	8.4
159.11659	12.5
161.13226	27.5
163.11165	2.4
163.14769	2.4
167.04337	1.2
171.11603	11.8
173.13168	7.9
175.14818	8.9
185.13216	9.6
187.14813	1.7
199.14790	5.7
213.16447	2.7
213.36760	1.1
231.17526	1.2
231.21068	4.9
241.19424	15.3
259.20526	54.5
262.11758	1.3
273.09039	1.2
277.21579	5.2
310.14938	43.2
319.09555	1.5
333.24301	5.1
351.12534	2.2
351.25272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.4
56.31498	1.1
57.03438	18.0
57.07070	1.1
62.33459	1.0
66.23814	0.9
67.05183	1.4
67.05498	24.8
69.07057	13.2
71.08241	1.3
71.08619	26.1
75.23799	1.0
79.05486	24.6
79.60100	1.1
81.07044	32.8
83.04960	1.8
83.08600	10.2
85.06508	1.2
91.05467	15.8
93.07022	36.9
95.04942	4.8
95.08583	23.2
97.06510	4.9
97.10139	1.7
99.08071	12.8
105.07027	15.7
107.04930	2.4
107.08583	23.0
109.06486	1.7
109.10124	10.5
111.08060	1.3
117.06977	2.7
119.08555	17.4
121.10133	16.3
123.08008	1.2
129.06929	1.9
131.08530	5.1
133.10089	17.6
135.11665	18.6
137.09589	1.9
139.07637	1.3
139.54517	1.1
140.22382	1.2
143.08556	1.8
145.10057	5.9
147.11639	10.1
149.13234	7.1
151.11104	9.9
157.10057	1.5
159.11642	6.5
161.13226	12.1
163.11157	1.7
163.14737	2.2
171.11697	2.4
173.13237	2.0
175.14775	1.5
179.14265	26.0
185.13226	4.7
195.17366	1.3
199.14740	1.2
241.19498	6.3
259.20526	13.7
277.21579	19.3
351.25226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64143	1.3
55.01848	1.3
55.05504	11.4
57.03210	1.2
57.03428	18.0
57.07069	1.9
57.89202	1.2
66.92716	1.3
67.05488	24.2
69.07049	14.4
71.08292	1.7
71.08614	29.6
72.50623	1.4
79.05469	25.4
81.07031	37.1
81.83315	1.3
83.04951	3.2
83.08576	8.0
87.94009	1.3
91.05451	15.1
93.07012	45.9
95.04923	2.1
95.08580	25.6
97.06499	3.2
97.10128	3.1
99.08051	11.3
105.07010	17.3
107.04922	2.4
107.08565	26.6
109.06461	2.7
109.10116	10.3
117.07010	3.0
119.08549	20.0
121.10117	21.5
129.06976	3.2
131.08537	3.0
133.10095	14.8
135.11632	19.2
137.09555	2.1
143.08475	3.3
145.10071	6.9
147.11665	10.8
149.13208	5.8
151.11105	10.0
157.10098	2.6
157.16512	1.7
159.11676	6.2
161.13225	11.0
163.11137	3.2
173.13136	1.5
179.14273	30.5
185.13121	2.3
241.19424	3.0
259.20532	12.8
277.21548	22.8
310.24127	1.7
351.25201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
57.03431	0.6
61.02934	0.3
64.96169	0.3
67.45998	0.3
69.03419	3.6
71.04955	0.6
73.02901	0.5
79.10737	0.4
80.95341	0.3
81.03407	6.8
85.02887	4.2
97.02851	2.6
99.04441	4.1
109.02182	0.6
109.02853	7.5
116.04826	0.3
127.03902	8.3
142.41951	0.3
146.05975	4.1
148.03900	0.8
158.60294	0.4
162.05463	100.0
167.20561	0.4
172.03899	2.6
190.04950	23.0
208.06006	11.5
209.13768	0.4
334.09161	3.9
352.10150	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	352.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39729	2.0
69.07056	3.1
81.07053	11.0
93.07035	22.8
95.04937	2.3
95.08599	24.7
97.06539	2.9
99.08062	2.6
100.15102	2.4
105.07019	4.9
107.08583	20.7
109.10158	12.7
119.04954	2.4
119.08555	15.1
121.06493	10.4
121.10115	19.0
122.23445	2.0
123.08040	3.6
123.11694	3.0
127.10221	2.0
131.08589	4.4
133.10146	17.7
135.11661	4.3
137.09605	11.9
143.08566	3.7
145.10104	10.2
147.08041	10.5
147.11728	3.3
149.09567	8.4
151.11165	4.1
155.08591	2.1
157.10110	8.7
159.08028	2.6
159.11673	8.6
161.09578	16.6
162.05513	12.4
162.59927	2.2
169.10080	4.8
171.11696	9.1
173.09630	3.6
173.13292	4.9
179.10585	4.9
183.11639	3.6
185.13240	4.8
187.14835	3.9
189.12590	2.6
197.09683	2.5
197.13252	5.1
199.11160	4.9
199.14694	3.0
201.12749	4.1
207.11589	3.7
209.13266	3.5
211.14754	8.5
215.14294	10.5
221.13239	4.6
223.14877	2.5
225.12808	3.0
225.16121	2.2
227.14249	3.4
229.15781	3.0
239.14452	3.0
239.17921	3.4
241.15843	3.8
253.19461	9.5
259.16876	2.8
263.17947	8.3
269.18884	4.2
271.20670	5.2
277.17932	18.5
281.18985	28.0
299.20035	59.4
317.21063	68.5
334.20764	4.4
335.18317	3.4
335.22092	100.0
352.21646	11.6
352.25430	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	352.2839
Annotation	Melophlin F
Peak:m/z	Relative Intensity
50.58192	0.9
55.05504	5.1
56.05009	3.6
57.07063	0.8
58.02966	6.4
58.06593	1.5
60.04504	1.3
61.59801	0.6
62.09149	0.6
67.05496	21.0
67.45283	0.8
69.07054	10.8
70.06580	31.5
71.08621	1.3
74.49145	0.6
79.05489	11.4
81.07045	17.3
82.06573	10.1
83.08591	5.1
84.04473	4.9
84.08112	1.0
85.68489	0.7
86.09661	0.8
91.05447	4.2
93.07018	12.7
94.06557	5.7
95.04903	0.8
95.08590	12.5
96.08110	12.2
97.10145	1.6
97.81734	0.7
98.06059	1.4
99.08072	0.7
100.11246	0.9
105.06996	4.1
107.08585	9.9
108.08084	1.4
109.10138	11.9
110.09649	1.2
114.12778	3.5
119.08591	3.1
121.06504	1.1
121.10136	6.7
123.08015	1.4
123.11660	1.3
124.59850	0.7
126.12766	25.5
131.08546	1.1
133.10080	3.0
135.11649	3.3
137.09561	1.0
145.10069	1.6
147.11615	1.2
149.13254	1.8
152.14268	2.7
154.12230	6.7
156.13757	0.8
161.13188	1.3
162.12750	0.9
163.11073	1.7
164.14323	0.8
166.15863	15.3
180.13806	9.4
189.12694	0.7
200.11365	0.7
208.13321	1.7
210.14957	1.4
212.16411	16.6
220.16858	9.0
240.15913	4.8
252.19525	24.1
296.02032	0.8
303.22922	0.9
310.27264	0.9
334.27325	1.3
352.28387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49077	2.0
51.64875	2.3
51.75981	2.6
55.05502	21.0
56.05016	4.1
57.07056	4.7
58.06583	2.6
60.04511	10.9
67.05490	61.7
69.07050	27.9
70.06576	15.8
71.04974	5.4
71.08601	3.5
72.04519	19.4
72.08122	5.1
74.06087	3.1
79.05473	15.8
80.05000	4.3
81.07034	87.2
82.06562	3.6
83.04974	2.8
83.08601	20.6
87.60627	2.6
91.05448	4.9
93.07028	41.9
94.06557	5.1
95.08583	71.2
96.08117	4.1
97.07633	10.3
97.10136	13.0
98.09684	4.3
98.59904	2.6
99.08070	11.0
105.07010	11.7
106.06523	2.8
107.04916	2.9
107.08586	24.7
108.08012	3.5
109.06483	3.1
109.10133	35.8
111.08062	5.5
119.08566	12.2
121.10097	17.4
123.08013	5.1
123.11640	6.7
125.09637	3.2
131.08533	13.6
133.10092	12.5
135.08054	3.1
135.11649	14.6
137.09554	3.5
137.13263	10.4
140.14352	13.1
145.10063	4.2
147.11693	6.6
149.13252	9.8
150.09227	2.9
151.14752	4.2
152.14246	3.4
153.09050	2.8
161.13205	3.9
162.12689	3.4
163.14769	3.0
167.15462	3.4
168.15791	3.3
173.13216	3.8
182.15361	3.3
194.15416	4.2
234.14899	3.1
250.25354	4.7
275.23581	13.3
290.21182	3.3
292.26224	30.0
293.24628	4.3
308.22070	10.6
334.20169	11.1
334.27176	40.1
335.27563	6.5
352.21146	7.4
352.24579	23.0
352.29184	100.0
352.29971	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2842
Annotation	Melophlin E
Peak:m/z	Relative Intensity
50.16912	2.3
50.53848	2.1
55.05513	3.7
58.35386	2.3
58.58717	2.4
67.05485	20.3
69.07053	6.1
76.30310	2.7
79.05459	3.4
81.07059	21.5
90.05545	100.0
93.07019	4.7
93.95029	2.5
95.08612	17.9
109.10171	13.6
149.13217	3.7
149.16142	2.8
165.61176	3.0
167.26807	2.9
170.49191	2.7
245.22574	4.3
252.61330	3.1
352.28473	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	352.3204
Annotation	N-cis-11,14-eicosadienoyl ethanolamine
Peak:m/z	Relative Intensity
57.07069	0.9
57.46338	0.8
61.11320	0.6
69.07044	1.6
70.06580	100.0
71.04974	6.0
71.08614	0.8
71.84778	0.7
83.08598	1.2
88.07614	6.4
95.08567	1.7
95.36476	0.7
97.10108	0.8
97.26673	0.7
121.10128	1.5
122.14146	0.8
124.08723	1.0
150.35461	0.8
199.72832	0.8
223.18953	0.8
236.68361	0.9
352.20074	1.1
352.31985	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	353.1011
Annotation	Negundin A
Peak:m/z	Relative Intensity
50.75202	0.5
55.05499	1.4
57.03426	0.9
57.07044	0.8
67.05499	5.5
69.07047	1.6
71.08605	2.9
79.05485	1.3
81.07025	5.5
83.08601	1.7
83.82455	0.7
84.27562	0.7
85.54806	0.7
91.05444	1.1
91.66083	0.9
93.07021	4.4
95.08576	6.7
97.06528	0.7
97.10170	0.7
99.08059	1.5
105.07021	0.8
107.08568	1.6
109.10110	3.2
119.08533	1.6
121.10122	1.4
123.11678	0.9
131.08557	0.8
133.10120	0.8
135.11621	1.1
147.11607	0.9
149.05968	4.2
149.09583	0.8
162.75114	0.7
163.14861	0.8
177.05530	5.0
177.06850	1.0
178.07767	1.1
184.15698	0.7
189.06879	1.6
193.10063	0.9
205.06477	1.7
206.07188	4.9
217.06468	1.6
218.07211	1.1
219.08078	2.8
221.09518	3.1
223.07526	1.1
231.07947	0.9
233.05894	4.6
234.06671	13.3
235.07486	4.2
237.08934	5.7
238.09946	1.5
246.06696	1.2
247.07520	4.1
248.08330	1.2
249.08992	13.6
250.06255	2.6
251.06967	4.2
261.05368	2.6
261.22049	1.3
262.06207	5.0
263.07010	7.4
264.07742	3.0
265.08496	15.9
266.09299	7.8
277.05234	1.3
277.08426	11.7
278.05661	1.0
279.06332	0.9
279.10101	1.3
279.22995	2.7
280.10892	1.5
282.08817	1.5
285.17532	0.7
291.10016	1.3
292.07294	7.4
293.08026	11.0
294.08752	3.1
295.05994	2.5
297.11115	1.5
303.06592	2.6
307.09442	10.1
310.08325	7.8
321.07370	7.2
325.10651	12.9
335.25757	1.1
338.07690	3.1
353.10107	100.0
353.22589	1.4
353.26733	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.6
54.87551	0.5
57.03439	6.1
57.07075	100.0
59.89339	0.5
63.59526	0.6
73.02905	4.1
75.04485	1.5
80.76678	0.5
85.02908	8.1
85.06536	93.0
95.01317	6.3
97.02885	1.0
103.03953	1.1
103.07581	12.9
113.02339	4.8
131.03401	2.8
141.01820	26.7
143.00722	0.7
159.02911	1.4
159.10144	95.9
162.05556	1.0
163.05807	0.9
177.11200	49.3
200.39793	0.6
309.25867	0.6
335.13098	2.5
339.52832	0.7
353.11014	0.8
376.28665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1955
Annotation	Desacetyltetraneurin D 4-O-isobutyrate
Peak:m/z	Relative Intensity
52.52726	0.9
55.01851	1.2
55.05502	1.2
56.07101	0.9
57.07056	1.2
61.02908	1.4
67.05482	2.2
69.03406	2.0
69.07056	10.1
71.04990	1.3
73.94022	1.1
74.20358	1.0
79.05457	1.1
79.77950	1.1
81.07039	7.2
83.04955	2.5
83.08620	2.2
85.06543	2.1
85.93737	1.0
91.05473	2.3
93.07024	5.9
95.04943	2.4
95.08619	10.7
97.06505	1.3
105.07008	12.7
107.08562	9.4
109.06498	2.7
109.10133	5.3
111.04427	2.5
117.06985	2.3
119.08587	13.0
121.06456	6.4
121.10123	7.1
123.08055	4.4
123.11707	5.0
125.36218	1.1
129.06935	1.6
131.08553	18.5
133.06503	1.5
133.10123	12.7
135.08008	5.5
135.11661	2.6
137.09616	4.4
143.08546	10.6
145.02831	2.4
145.06422	2.0
145.10107	33.7
147.08057	11.7
147.11668	10.9
149.09587	5.5
149.13292	1.5
151.07544	2.3
155.08502	1.6
156.09311	1.0
157.10098	12.8
159.08023	4.6
159.11673	16.6
161.05931	1.2
161.09610	7.6
161.13280	1.5
163.07484	4.8
163.11174	2.2
165.09067	2.1
167.07076	1.4
169.10088	12.2
171.11655	12.9
173.09587	9.7
173.13252	10.6
175.03897	1.9
175.11212	5.8
175.14760	9.1
177.05423	6.5
177.09084	2.2
179.10617	1.7
183.11691	10.1
185.09598	2.3
185.13229	6.0
187.11171	11.5
187.14772	12.5
189.09259	1.1
189.12759	1.9
191.10678	2.5
193.10277	1.6
197.09703	1.6
197.13271	6.3
199.11201	1.9
199.14777	2.3
201.12738	5.8
201.14613	1.1
201.16272	7.8
203.10629	2.7
203.14217	2.5
205.12236	2.5
207.06583	2.4
207.10004	1.4
211.11247	2.6
211.14786	14.7
212.15529	1.4
213.12703	1.2
213.16393	6.5
215.10623	1.7
215.14368	2.5
215.17931	2.5
217.12294	4.6
219.13695	4.4
223.14903	1.1
224.23083	1.2
225.16386	5.4
227.14365	1.6
229.12231	6.7
229.15919	10.1
231.13751	2.4
231.17383	2.1
233.11603	2.0
233.15311	2.3
235.14786	1.5
241.15892	2.3
243.13799	2.3
243.17424	5.2
247.13171	11.5
247.16902	7.0
248.14011	2.0
253.15819	2.5
257.15247	4.3
259.16870	7.4
261.14728	2.1
261.18481	5.1
271.16919	15.1
281.15091	1.3
284.63431	1.2
287.16428	1.5
289.17990	15.4
293.17035	1.4
299.16504	2.1
299.20084	1.2
305.17398	12.9
307.18979	6.2
317.17416	26.1
335.18457	58.7
353.19537	100.0
353.22986	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	353.2313
Annotation	Capillolide
Peak:m/z	Relative Intensity
50.82147	3.5
55.05500	6.9
57.03407	5.2
57.07053	5.8
65.91893	4.5
67.05493	25.9
67.32086	4.4
69.07059	34.2
71.08617	6.1
72.74659	4.2
79.05488	6.4
81.07044	33.0
83.04942	6.3
83.08601	18.0
92.87000	4.4
93.07007	27.0
95.08576	48.7
105.07007	9.2
107.08572	30.5
109.10123	22.2
111.04420	34.2
111.08047	7.2
119.08560	17.7
121.10093	32.2
123.08012	6.7
123.11681	19.0
125.05969	29.5
131.08559	5.9
133.10077	8.9
135.08038	6.1
135.11638	27.5
137.13214	7.0
145.10126	10.5
147.11658	7.2
149.09624	5.7
149.13239	18.9
158.01886	4.4
159.11690	21.4
163.11148	7.7
163.14844	5.4
173.13135	10.5
177.12730	21.6
178.38185	4.9
194.69351	4.1
195.13785	9.8
205.19458	8.2
215.17885	5.9
216.30341	5.7
233.18916	26.9
243.21053	5.2
251.19986	25.7
261.22107	6.9
279.19537	60.4
297.20575	31.2
353.10193	31.7
353.13748	6.5
353.23047	100.0
353.26804	17.9
355.40393	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	353.2315
Annotation	Narbonolide
Peak:m/z	Relative Intensity
51.88063	0.8
53.03951	1.0
55.05497	2.5
55.49045	0.9
57.03422	1.2
57.07058	2.0
58.26875	0.8
58.67496	1.1
59.04982	4.0
61.02900	1.3
67.05494	2.0
69.03394	1.4
69.07063	9.6
79.05476	2.0
79.22549	0.9
81.07037	12.3
83.04954	4.5
83.08601	6.5
85.06525	1.8
87.04452	4.5
89.40445	1.0
91.05473	2.4
93.06481	1.1
93.07023	16.1
95.04942	5.9
95.08586	20.9
97.06490	4.7
97.10146	5.0
99.08094	1.2
99.36031	0.9
101.05981	1.0
101.21082	0.9
105.07000	17.3
107.04936	1.1
107.08574	29.7
109.06486	9.6
109.10133	17.3
111.04371	1.4
111.08038	8.4
117.07001	4.3
119.08543	22.0
121.06455	9.7
121.10107	18.9
123.08045	8.7
123.11689	20.6
125.05947	1.4
125.09595	1.9
131.08543	15.1
133.06473	6.2
133.10110	40.0
135.08020	16.8
135.11662	26.0
137.05942	2.0
137.09569	4.8
137.13251	1.4
139.11166	1.3
140.40402	1.0
141.06924	1.2
143.08537	6.0
145.06450	2.0
145.10109	12.1
147.04390	6.5
147.07993	10.0
147.11656	12.3
149.06079	1.1
149.09627	9.8
149.13248	5.0
151.07500	6.9
151.11157	3.9
151.53577	1.0
155.08545	4.1
157.10107	10.4
159.08011	7.5
159.11662	14.8
161.09564	7.0
161.13206	4.7
163.07472	8.8
163.11166	5.6
165.09047	5.8
165.12721	1.5
167.06958	1.1
169.10091	4.1
171.11652	10.3
173.09552	4.4
173.13179	11.0
175.11153	4.0
175.14801	4.7
177.09059	5.6
177.12633	1.8
179.10602	1.9
181.09996	1.8
181.12166	1.3
183.11667	11.2
185.13190	8.1
187.11113	4.0
187.14810	6.0
189.09070	2.0
189.12729	1.9
189.16391	1.1
191.14397	1.5
193.08536	1.4
193.10106	1.2
195.10127	7.3
195.11732	2.1
197.13234	10.0
199.11043	1.9
199.14844	7.3
201.12709	5.8
201.16327	6.3
203.10663	4.3
203.17961	1.2
205.12202	1.0
209.13219	1.9
211.14813	6.6
213.12601	1.6
213.16287	1.9
215.10748	1.4
215.14153	2.0
215.17804	1.4
217.12250	1.2
217.15813	1.2
223.14838	2.4
225.16292	6.3
227.17896	2.4
229.15791	1.7
231.13545	1.2
233.15434	1.1
237.16318	1.4
239.17854	10.4
240.18710	1.8
240.40901	1.1
241.15887	1.6
243.13760	1.6
243.17369	3.8
245.15424	1.6
251.17812	1.8
251.38747	1.0
253.19492	3.8
257.15277	1.5
257.18958	6.1
259.17010	1.3
259.20584	1.6
263.18060	1.3
269.18878	2.3
271.16925	2.0
271.20477	1.5
277.17905	1.5
281.18857	5.8
287.16589	1.4
287.19952	3.7
289.17960	4.1
289.21494	1.6
299.16788	2.1
299.19958	19.9
305.21002	4.2
317.17560	3.6
317.21005	44.4
335.18430	6.1
335.22089	27.6
353.19409	14.0
353.23157	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	353.2314
Annotation	Narbonolide
Peak:m/z	Relative Intensity
52.84876	0.4
54.31198	0.3
55.05529	0.4
61.44867	0.5
63.88358	0.4
64.33206	0.4
67.05539	0.8
69.07103	0.7
76.34218	0.4
81.07117	2.8
85.02959	0.5
85.06612	0.4
91.05545	0.5
91.43781	0.5
92.17367	0.5
93.07014	4.4
95.04946	3.8
95.08585	5.0
97.06596	1.8
105.07092	2.6
107.08560	4.4
108.74086	0.4
109.06532	0.7
109.09565	0.5
109.10223	2.6
111.08071	0.5
111.73246	0.4
119.08611	2.6
121.06520	1.5
121.10111	7.3
123.08143	2.1
123.11742	0.5
125.09653	0.6
131.08647	2.1
133.10097	4.0
135.08067	0.9
135.11781	0.6
137.09723	0.5
139.07579	0.7
140.05559	0.4
143.08653	1.7
145.10187	2.9
147.08136	2.4
147.11763	2.2
149.09616	1.4
151.07648	0.6
151.11230	0.5
155.08597	0.7
157.10191	2.5
159.08104	0.8
159.11607	3.6
161.09665	2.0
161.13315	0.9
162.05550	1.7
163.05913	2.7
165.09163	0.6
169.10191	1.8
171.11659	3.5
173.09671	1.7
173.13272	0.8
175.11264	1.8
177.12732	0.5
181.10178	1.0
183.11731	2.5
185.09647	0.7
185.13257	1.7
187.11188	0.9
187.14803	0.8
189.12814	0.5
191.10565	0.6
191.14328	0.5
195.11732	2.5
197.09618	0.6
197.13255	3.5
199.11153	1.0
199.14883	2.9
201.12794	2.1
203.14340	0.7
209.13321	1.8
209.15216	0.5
211.14873	2.5
213.12756	2.1
213.16418	0.8
215.14294	0.8
217.12256	0.7
223.14883	2.4
225.16429	2.4
227.14272	0.6
227.17915	1.8
229.15903	0.8
237.16498	0.5
239.14200	0.9
239.18004	2.4
241.15718	1.3
243.17377	0.7
251.17868	2.3
253.15862	0.6
253.19496	1.7
255.17464	0.9
257.18958	0.9
259.16794	0.6
263.18088	0.6
269.18948	3.9
271.17047	0.6
275.37451	0.4
281.19000	2.8
287.20065	2.3
291.19638	2.6
293.17374	0.8
299.16660	0.7
299.19928	6.0
305.21164	2.0
317.17407	1.5
317.20978	10.6
335.22076	100.0
353.19455	0.9
353.23114	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	353.232
Annotation	Neorustmicin C
Peak:m/z	Relative Intensity
55.05494	4.5
56.50628	0.7
57.03394	0.8
57.07054	0.8
58.77345	0.8
61.02916	2.2
67.05497	2.0
69.07050	4.8
79.05471	1.4
81.06278	0.8
81.07061	9.8
83.04971	1.9
83.08612	17.1
85.06525	1.1
91.05448	3.7
92.17363	1.1
93.07045	11.4
95.04932	1.8
95.08594	20.5
97.10142	5.0
105.07027	21.1
107.08579	15.1
109.06493	4.8
109.10148	13.0
111.08077	6.3
117.06989	2.0
119.08569	16.3
121.06479	8.4
121.10137	14.1
123.08074	4.5
123.10877	0.9
123.11704	25.2
125.06005	1.2
125.09597	8.8
131.08546	8.5
133.06471	1.9
133.09114	1.8
133.10121	48.2
135.08057	11.9
135.11673	21.6
137.09583	5.7
139.07492	1.0
143.08560	5.6
145.06454	1.5
145.10109	14.0
147.08032	9.1
147.11685	16.8
149.09550	7.7
149.13266	7.8
151.07559	7.3
151.11150	1.2
155.08513	1.9
157.10097	11.4
159.07991	4.2
159.11684	15.7
161.09576	8.9
161.13220	10.0
163.07491	9.3
163.11191	3.9
169.10085	11.0
171.11685	11.4
173.09573	4.5
173.13220	6.9
175.11192	6.1
175.14815	16.5
177.09076	1.2
179.10626	1.5
181.10130	1.5
183.11696	14.0
185.09583	1.5
185.13281	12.7
187.11166	5.5
187.14845	3.8
189.09081	1.6
189.12714	4.9
191.10739	1.5
195.10254	2.6
195.11690	4.9
197.13220	15.2
199.11171	3.8
199.14790	5.4
201.12759	11.0
201.16394	10.6
203.10654	1.4
203.17908	4.4
205.12184	1.7
207.11768	1.2
207.13773	4.1
209.13181	2.2
211.11118	3.8
211.14812	7.9
213.12904	1.0
213.16301	1.6
215.14291	1.6
221.13297	1.2
223.14845	2.1
224.15636	1.9
225.12703	1.8
225.16368	5.0
226.04721	1.0
227.14281	2.1
227.17952	3.2
229.12144	1.4
229.19547	1.1
237.16345	5.3
239.14229	1.5
239.17892	22.9
240.18703	5.0
241.15977	1.1
241.19423	3.5
243.13570	0.9
243.17464	1.2
245.15303	5.7
253.19466	17.1
255.17378	1.5
257.15164	2.0
257.19031	6.7
259.20505	1.7
263.17950	3.8
269.19034	1.8
271.16910	1.0
271.20462	4.2
281.18924	10.9
287.19870	1.9
289.17868	3.4
289.21243	1.5
291.40524	1.0
299.16873	1.5
299.20016	34.7
317.21085	100.0
335.22128	66.3
353.23154	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2317
Annotation	Neorustmicin C
Peak:m/z	Relative Intensity
53.72492	3.1
59.26858	4.3
59.66663	3.6
67.05484	6.3
69.07049	18.0
79.05476	5.8
81.07042	16.4
83.04970	3.8
83.08638	12.3
91.05431	4.8
93.07028	8.3
95.08581	25.3
105.06996	17.8
107.08567	27.4
109.06516	5.6
109.10123	18.0
112.81976	3.8
114.09161	20.1
117.07024	4.1
119.08542	23.2
121.06480	8.2
121.10109	20.2
123.08002	3.8
123.11684	31.0
125.09628	5.5
131.08551	7.6
133.10103	63.2
135.08038	23.7
135.11658	21.5
137.11542	3.8
143.08562	5.1
145.06415	4.7
145.10097	19.9
147.08025	5.2
147.11681	20.4
148.04631	3.7
149.09625	8.3
149.13216	5.1
155.08589	3.9
157.10092	16.9
159.11644	19.9
161.09595	17.4
161.13240	6.9
163.07516	24.9
167.07040	5.3
169.10089	12.1
171.11710	7.8
173.13214	8.5
175.14801	14.9
177.09149	3.7
178.09291	3.5
179.77400	3.6
183.11697	8.6
185.13229	17.6
187.14809	5.5
189.09140	5.0
189.12830	4.7
195.10133	5.0
195.11790	4.1
197.13246	22.0
199.14763	6.1
201.12668	5.3
201.16344	24.3
209.13203	5.9
211.11417	3.3
211.14778	6.7
213.16382	4.2
219.52713	3.7
225.16275	4.5
235.14774	3.8
239.17891	22.8
253.16444	4.1
253.19212	12.8
257.18896	5.2
269.18936	5.2
271.20557	4.0
281.18954	5.5
287.20032	4.7
299.19992	53.9
305.21085	24.2
317.21017	100.0
335.18475	6.6
335.22092	77.6
338.40829	4.0
353.19266	5.3
353.23065	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	353.2314
Annotation	Homalomenol F
Peak:m/z	Relative Intensity
55.05500	17.0
57.03429	6.4
57.07049	9.7
58.55124	3.5
59.38097	3.2
62.22241	3.8
67.05487	21.9
69.07050	31.6
71.08605	5.6
79.05479	8.5
81.07032	34.3
83.04964	3.7
83.08610	10.5
93.07028	35.5
95.08590	45.9
97.10113	7.2
100.30463	4.4
105.07050	5.1
107.08575	28.2
109.06509	5.8
109.10149	22.0
111.04415	37.6
111.08031	6.2
117.07072	4.0
119.08577	5.7
121.10110	22.1
123.08007	16.9
123.11683	19.9
125.05959	31.2
127.07505	6.3
133.10072	8.1
135.08038	7.2
135.11664	23.5
137.09595	5.1
139.07486	8.7
145.10121	21.5
147.11638	6.1
149.13216	17.2
157.50652	4.3
159.11664	18.6
163.11176	10.2
163.14825	7.9
167.10646	7.6
173.13193	17.0
177.12822	16.0
181.12207	9.7
195.13805	8.6
202.30241	4.1
205.19505	8.1
213.20522	3.9
215.17888	8.5
233.18996	22.6
251.20085	35.9
261.22113	5.7
279.19482	52.7
297.20392	31.4
353.10187	25.4
353.22989	100.0
353.26508	8.1
367.18414	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	353.2318
Annotation	Narbonolide
Peak:m/z	Relative Intensity
67.05506	1.1
69.07055	2.2
81.07025	5.6
83.04936	1.4
83.08575	1.7
84.45741	1.0
85.06505	1.1
85.09626	1.1
93.07017	2.0
95.08574	9.3
97.06512	2.0
97.10060	1.1
99.04438	1.5
102.14723	1.3
105.07011	2.7
107.08595	7.7
109.10118	7.2
111.08044	1.4
119.08515	7.1
121.06532	1.1
121.10116	9.7
123.07999	1.6
123.11697	1.7
125.09556	2.2
128.18823	1.2
131.08553	4.9
133.10069	5.6
135.08018	8.7
135.11636	4.5
136.53966	1.1
137.09604	2.1
139.11151	2.2
145.10080	4.5
147.08015	7.8
147.11641	5.7
149.09633	7.7
149.13145	1.5
151.11165	1.8
157.10092	4.9
159.08015	1.2
159.11629	5.4
161.09581	4.3
161.13222	4.6
163.11139	1.5
165.09061	18.9
167.06992	2.6
171.11591	1.9
173.09499	2.6
173.13219	15.6
173.22044	1.2
175.11174	2.6
175.14787	1.5
183.11673	2.2
185.13216	2.3
187.11214	2.0
187.14801	1.3
189.12700	2.1
191.10596	2.4
191.14209	2.0
197.13202	2.3
199.11089	2.5
199.14824	1.9
203.14453	1.1
205.12125	1.7
211.14728	2.3
215.14197	1.3
225.16370	1.3
231.17186	1.2
233.15288	4.5
243.17267	1.2
253.19476	5.4
257.15137	1.4
257.18933	2.1
269.18961	3.8
271.17691	1.1
271.20425	11.1
275.19992	2.3
281.18988	7.6
287.19916	5.9
289.21472	4.3
299.19983	21.8
317.21051	19.0
335.18170	2.2
335.22037	38.9
353.23114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2314
Annotation	Narbonolide
Peak:m/z	Relative Intensity
51.50046	0.9
55.05504	1.3
57.03410	0.8
58.20746	0.9
66.33781	0.8
67.05507	1.5
69.03406	1.3
69.07040	5.4
76.14234	0.9
79.05468	1.9
81.07040	6.5
83.04961	3.9
83.08586	1.9
85.06509	2.1
93.07016	7.1
95.04941	1.2
95.08589	9.7
97.06504	4.0
98.82499	0.9
99.04446	2.2
100.11688	1.0
105.07005	4.9
107.08557	7.8
109.06472	2.4
109.10117	10.2
111.08060	3.8
119.08540	7.2
121.06453	6.8
121.10104	13.7
123.08009	4.2
123.11650	5.0
125.05936	1.5
125.09610	1.9
131.08522	5.0
133.06421	1.2
133.10103	15.5
135.08037	2.0
135.11667	6.6
137.09563	1.9
139.11156	1.6
143.08536	5.2
145.10072	7.7
147.07953	2.1
147.11664	8.3
149.09561	7.0
151.11177	2.0
157.10094	7.8
159.07953	1.1
159.11653	12.2
161.09590	4.4
161.13243	3.8
163.11151	1.8
165.09042	1.2
169.10033	1.9
171.11591	9.6
173.13219	9.7
175.11191	3.9
175.14729	1.4
179.10590	3.9
181.10129	1.0
183.11659	5.7
185.13246	3.8
187.14745	4.0
189.12691	2.3
189.16338	2.2
191.06915	1.3
191.10619	1.7
191.14339	1.3
195.11595	4.0
197.13235	4.8
199.11108	1.4
199.14714	12.6
201.12634	2.3
201.16296	15.8
205.12199	1.9
209.13277	1.3
211.14807	2.3
215.10600	1.2
215.14214	2.3
217.12201	2.0
225.16341	1.8
227.17894	4.8
233.15236	1.4
234.13884	1.1
237.16307	4.6
239.14357	1.3
239.17868	5.8
253.19489	2.0
253.26782	1.1
257.18854	9.8
263.18091	1.2
271.20490	4.9
277.36121	0.9
281.18896	6.0
287.20007	1.6
289.21194	2.3
291.19449	2.0
292.06009	4.2
299.19965	23.6
307.10559	1.1
307.21619	1.2
317.20996	20.4
335.09949	1.0
335.21997	18.0
353.23111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2321
Annotation	Narbonolide
Peak:m/z	Relative Intensity
55.05497	2.0
57.07074	1.5
59.05006	1.4
62.62397	1.1
69.07063	1.9
71.04979	1.7
73.03820	1.3
79.05492	1.9
81.07043	8.1
83.04980	2.2
83.08619	2.2
85.06534	1.4
93.07024	6.2
95.08591	9.6
97.06535	5.2
99.08055	2.0
105.07034	6.8
107.08594	11.8
109.06516	2.9
109.10140	9.9
111.08051	6.5
119.08550	9.3
121.06523	3.1
121.10145	12.2
123.08067	1.8
123.11687	5.1
125.09634	2.0
131.08568	2.7
133.10115	14.0
135.08040	3.4
135.11682	6.8
137.09612	2.9
141.05513	1.4
141.09193	1.3
143.08551	1.8
145.10133	9.2
147.11659	7.1
149.09584	8.1
151.07581	1.7
153.09073	1.8
157.10109	7.2
159.11662	11.6
161.09634	2.3
161.13312	2.6
163.11157	3.0
165.09105	2.4
167.06995	1.9
171.11679	8.4
173.09584	2.7
173.13185	10.5
175.11072	1.7
183.11693	7.0
185.13220	2.3
187.11188	1.8
187.14726	2.4
189.16388	2.5
193.10136	1.7
195.11647	2.6
197.13245	6.4
199.11230	1.8
199.14732	13.2
201.12691	1.9
201.16348	8.4
211.14787	2.3
215.14352	2.7
225.16335	2.2
227.17833	5.2
229.16078	2.2
231.13954	1.9
237.16359	3.1
239.17850	2.9
253.19371	2.6
257.19016	8.8
263.17758	1.5
271.20441	6.0
281.18970	5.9
287.20175	2.7
299.20050	25.8
317.17926	1.8
317.21124	15.1
321.07565	1.7
335.18320	2.8
335.22086	27.0
353.10129	10.0
353.19666	3.7
353.23169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.70638	2.9
55.01863	7.9
55.05503	15.7
57.03430	45.9
57.07074	24.9
61.02892	3.1
67.05492	34.7
67.20073	2.9
67.99868	3.5
69.07056	27.4
71.08625	6.7
79.05471	15.7
81.07041	42.1
83.04935	4.0
83.08587	23.3
85.06508	3.8
93.07032	23.3
95.08592	37.0
97.10156	8.4
101.38012	3.2
105.06961	3.7
107.08568	16.4
109.10123	21.2
117.05484	33.6
121.10107	17.2
121.23463	3.2
121.25357	3.6
123.11633	4.0
135.11688	12.5
137.13266	3.3
145.10139	3.9
147.11729	3.5
147.31152	3.5
149.13235	4.8
153.70895	3.2
163.14929	3.9
163.63072	3.2
164.98570	3.1
169.12225	14.6
173.32260	3.2
175.62408	3.4
178.14209	3.3
185.02832	3.3
261.22012	5.2
334.28033	3.3
353.26801	100.0
363.81400	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	353.2678
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.19485	1.3
55.05499	9.5
57.03419	4.1
57.07063	7.5
67.05494	82.9
69.07047	16.1
71.08623	7.0
75.97584	1.5
79.05482	36.3
81.06566	3.5
81.07043	100.0
83.08588	14.4
85.06512	4.2
91.05447	15.8
93.07021	71.9
95.04925	1.9
95.08588	88.6
97.06538	3.6
97.10168	3.9
99.08078	7.4
102.68144	1.6
105.07011	13.4
107.08581	47.6
109.06525	2.2
109.10127	39.5
113.09655	6.1
117.07005	9.8
119.08550	16.2
121.10111	49.5
123.11681	14.7
131.04935	3.0
131.08543	20.1
132.19449	1.9
133.10097	12.8
135.11661	33.8
137.09584	1.7
137.13248	8.8
145.10115	15.5
147.11674	11.1
149.13234	28.7
159.11664	12.7
160.50523	1.9
161.13229	9.9
163.14771	13.9
173.13220	18.5
175.14796	3.5
177.16284	2.9
187.14841	9.9
191.06996	9.0
192.96933	1.7
201.16269	2.1
233.09450	2.9
233.22665	2.7
243.21005	37.4
261.09207	6.1
261.22067	91.4
276.88184	1.8
278.09323	1.9
279.23184	2.9
289.08527	14.1
290.09207	5.6
291.83255	1.9
306.09033	3.4
321.11163	14.3
335.25745	18.5
353.13803	11.9
353.26801	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.91690	1.3
55.05502	9.8
57.03442	2.3
57.07066	7.0
65.35633	1.3
67.05499	70.5
69.07055	11.9
71.04998	1.4
71.08608	4.8
73.50141	1.2
75.31284	1.3
79.05490	34.1
81.07050	89.3
83.08606	12.2
85.06554	2.5
91.05467	17.5
92.17425	2.8
93.07033	73.6
95.04962	2.0
95.08595	86.7
97.06511	5.2
97.10152	2.7
99.08091	3.2
105.07021	16.7
107.08590	56.0
109.10136	38.8
111.08076	1.4
117.06998	8.9
119.08560	14.7
121.10131	45.0
123.11712	13.0
127.48921	1.6
131.08560	21.8
131.75398	1.3
133.10109	12.2
135.11685	32.8
137.13222	5.1
139.11227	1.4
145.10103	17.4
147.11673	10.4
149.13240	24.7
151.14835	2.0
159.11630	15.0
161.13239	13.1
163.14822	14.9
173.13261	14.9
175.14810	4.9
177.12714	2.0
177.16331	5.4
182.06104	1.4
187.14780	12.2
188.18079	1.4
191.14255	2.4
201.16357	1.7
205.15903	2.2
233.22615	5.8
243.21054	37.0
261.22079	100.0
279.23206	1.6
335.25745	14.5
353.15039	24.5
353.18677	1.5
353.26794	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03925	1.6
55.01870	1.7
55.05500	10.0
56.17657	1.3
57.03431	11.4
57.07077	1.5
67.05498	26.7
69.07050	12.3
71.08621	45.7
74.24027	1.4
79.05475	14.6
79.67080	1.5
81.07053	44.4
83.08598	9.4
85.06541	3.0
85.10162	2.2
91.05467	7.3
93.07021	17.3
95.08592	33.4
97.06490	3.0
97.10129	6.6
99.08086	26.8
105.07031	11.9
107.08592	15.1
109.10159	17.4
111.07993	1.8
119.08544	8.3
121.10110	9.4
123.11679	2.0
125.09610	3.5
131.08546	5.8
133.10124	2.7
135.11658	9.2
137.13217	1.7
145.10136	3.4
147.11653	16.1
149.13225	3.8
163.11185	2.3
163.14821	6.8
165.12790	3.1
173.13202	2.1
190.84375	1.7
230.33388	1.9
243.21030	7.5
261.22241	12.9
279.23138	18.4
314.03433	1.6
353.26813	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05508	10.7
57.03416	7.0
57.07062	2.5
67.05493	73.9
69.07058	14.1
71.08614	2.0
79.05480	26.9
80.08961	1.2
81.07045	100.0
83.08628	9.1
85.06532	2.2
85.10204	1.2
91.05461	13.9
93.07024	48.6
95.08586	76.2
97.06519	2.6
97.10130	2.8
105.07030	11.6
107.08578	36.5
108.95383	1.1
109.10129	42.4
117.06983	7.8
119.08558	14.0
121.10108	39.4
123.11663	20.0
131.08540	22.1
133.10097	13.8
135.11688	36.0
137.13167	2.3
145.10097	12.6
147.11655	13.2
149.13231	22.5
159.11633	15.2
161.13261	10.1
163.14769	12.8
173.13191	11.8
177.16292	2.4
187.14763	7.2
215.03395	1.6
233.22520	1.9
243.21007	20.3
261.22064	57.2
279.23126	1.8
335.25650	13.4
353.26770	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	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73594	7.4
56.58977	8.9
57.07076	9.0
57.98544	6.4
66.90503	6.3
67.05489	19.0
69.07069	10.7
71.08603	17.8
80.33215	7.3
81.07041	36.0
93.07039	29.8
95.08610	41.9
99.08118	11.8
102.21484	9.5
107.08594	16.4
109.06465	9.4
109.10143	17.4
120.43596	7.3
121.10128	11.3
122.47324	7.6
159.26797	7.4
165.12718	43.9
201.87492	9.8
291.23242	33.5
353.26752	100.0
379.86420	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	354.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	23.6
59.04985	100.0
59.42818	11.5
67.05488	16.1
81.06997	20.7
89.06028	19.3
130.45793	12.3
157.10139	28.6
185.13249	14.6
199.11148	15.8
255.17319	52.5
259.16885	16.2
294.24280	19.6
301.17883	98.9
319.18866	22.8
337.25876	30.2
354.26553	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	354.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.4
55.05720	0.9
56.05828	1.3
57.03411	5.8
57.07058	2.0
63.40040	0.8
65.17821	0.8
67.05495	58.4
68.05829	16.6
69.07066	9.9
71.04979	1.2
71.08576	1.0
71.80021	0.8
75.04461	1.0
79.05484	14.7
80.05817	6.3
81.07044	71.4
82.07376	28.5
83.08590	5.5
84.08917	2.3
84.18913	0.8
85.06499	1.1
90.47435	0.9
91.04958	1.4
91.05449	8.9
92.05768	4.3
93.07027	31.6
94.07350	13.8
95.04964	1.0
95.08592	53.6
96.08923	24.6
97.06512	1.9
97.10125	2.1
99.08081	1.1
105.07041	8.2
106.07330	5.0
107.08570	26.9
108.08904	15.2
109.10130	32.8
110.10454	16.2
111.08070	1.3
113.09609	1.1
117.06995	3.4
118.07335	3.7
119.08540	7.8
120.08888	5.7
121.10110	21.7
122.10453	15.3
123.11671	17.3
124.12020	9.7
125.09604	1.2
126.00883	1.2
131.08540	10.4
132.08853	8.9
133.10158	7.0
134.10408	8.2
135.11667	19.2
135.33699	0.9
136.12000	14.6
137.09569	1.0
137.13205	4.3
138.13560	1.9
145.10080	5.5
146.10368	6.8
147.11658	4.7
148.11969	6.0
149.13211	14.4
150.13594	11.9
151.14760	1.1
159.11674	6.1
160.12033	8.3
161.13251	5.2
162.13545	5.8
163.14787	5.2
164.15121	8.6
165.76041	1.0
173.13185	7.5
174.13565	9.3
176.15143	1.6
177.16292	1.7
178.16743	3.8
187.14761	3.7
188.15083	8.3
192.30380	1.0
201.16336	1.4
202.16714	1.4
234.22928	1.9
243.21001	4.6
244.21364	23.8
261.22083	11.8
262.22424	74.1
264.23911	1.5
280.23428	5.8
287.41885	1.0
336.26044	29.2
354.27127	100.0
354.34241	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	354.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65664	3.9
51.90129	3.6
55.05504	10.8
57.07066	7.6
63.56895	3.8
67.05491	81.9
68.05818	24.1
69.07054	11.7
70.07388	5.9
74.06040	7.0
74.48441	4.1
79.05473	48.1
80.05804	8.3
81.07044	84.7
82.07378	27.2
83.04980	5.1
83.08582	7.0
91.05448	9.5
92.07094	7.1
93.07017	60.9
94.07346	30.5
95.08582	68.3
95.88223	4.4
96.08916	31.4
105.07002	10.3
107.08559	36.6
108.08904	23.8
109.10152	33.1
110.10464	26.9
113.71082	4.6
117.07011	4.7
119.08553	10.3
121.10116	30.7
122.10456	29.1
123.11658	7.1
131.08522	9.9
132.08842	20.2
133.10068	7.0
135.11652	27.0
136.11986	23.2
145.10025	9.9
146.10454	7.9
149.13196	18.3
150.13550	18.7
159.11511	6.0
162.13377	4.6
163.14857	4.4
164.15102	7.2
174.13553	7.0
174.37935	4.5
175.77342	5.9
183.50623	4.5
188.15071	5.7
221.17789	4.9
244.21385	28.3
261.22061	20.1
262.22388	100.0
280.23206	4.8
313.17993	6.9
336.25836	7.9
354.26996	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	354.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	3.6
58.02946	4.9
60.04518	3.8
66.80968	2.6
67.05494	13.7
69.07050	19.0
70.06575	41.5
72.26696	2.4
79.05500	3.8
81.07055	23.8
82.06528	3.2
83.08590	11.8
84.04483	12.8
86.09676	3.1
87.25435	3.3
95.08597	28.9
105.38304	2.9
109.10121	11.8
121.10134	11.4
123.08063	3.4
135.11635	5.0
142.35661	2.9
152.25630	3.1
162.12729	4.9
168.17462	59.7
180.13763	22.7
194.70084	2.8
212.16425	55.8
280.26422	3.6
312.28943	4.2
354.29929	100.0
363.33499	3.4
363.66843	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	354.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41481	0.3
55.05514	6.9
57.07076	3.8
59.77853	0.3
60.04525	30.7
67.05195	0.4
67.05505	7.8
69.03397	0.3
69.07064	14.7
69.71935	0.3
71.04991	0.4
71.08601	2.1
78.85664	0.4
79.05474	2.0
81.06601	0.6
81.07055	13.8
81.07532	0.5
83.04977	0.8
83.08614	13.0
85.06516	0.6
85.10182	0.7
88.93823	0.4
91.05485	2.8
93.07022	3.1
95.08599	14.0
97.06518	1.9
97.10161	8.8
98.12923	0.4
99.08092	0.6
105.07039	1.8
107.08578	3.8
109.06503	0.6
109.10148	10.3
111.08056	2.0
111.11684	2.6
119.08559	4.1
121.10110	3.7
123.08041	1.6
123.11700	4.7
123.71053	0.4
125.09596	0.8
128.14345	0.7
133.10141	6.3
135.11678	2.5
137.09651	3.2
137.13231	2.0
139.11174	1.4
140.10696	0.4
142.15909	14.6
147.11688	4.7
149.13240	2.2
151.11154	2.2
151.14745	0.5
153.12756	0.5
153.63034	0.4
154.12253	5.8
158.03090	0.4
161.13223	3.5
163.14803	1.9
165.12732	1.5
165.16316	0.6
165.28835	0.5
168.13713	0.4
175.14838	0.9
179.18024	0.6
186.14911	5.9
189.16411	0.7
234.78676	0.4
245.22575	3.1
262.25296	0.5
263.23645	3.1
280.26334	9.1
312.28928	22.5
322.27267	1.6
329.69788	0.4
340.36636	0.4
350.34592	0.4
354.29990	100.0
361.43973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29464	4.7
51.39958	6.2
52.04179	5.1
54.74202	5.5
55.05522	5.8
56.33712	5.5
57.07068	7.6
60.09530	5.2
67.05495	12.6
69.07056	14.1
74.06065	100.0
81.07050	29.4
83.08604	12.7
85.34109	7.0
92.07099	92.9
95.08578	14.8
98.97566	6.9
109.10145	8.0
166.27104	6.5
169.16763	6.0
169.23878	7.5
191.95056	6.6
235.27289	7.3
336.28946	50.6
354.30316	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	354.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	48.5
55.69613	1.2
56.05014	1.3
57.06808	2.4
57.07069	39.6
57.20081	1.3
58.06595	16.8
60.00042	1.2
60.04489	5.0
60.58549	1.2
67.05496	53.8
67.51421	1.3
69.03350	1.6
69.07055	100.0
69.07434	3.4
70.06572	1.8
71.04989	1.9
71.08618	34.2
72.08150	2.9
75.90205	1.4
79.05489	11.8
81.07044	85.0
82.06574	10.8
82.49518	1.6
83.04954	3.2
83.08604	84.7
84.08145	2.1
85.06537	2.4
85.10165	15.6
86.06059	1.7
91.05457	6.5
93.05779	2.8
93.07014	18.7
94.06568	1.4
95.08585	85.6
97.06522	10.0
97.10148	80.2
97.10771	2.1
99.08058	3.5
100.07591	2.2
100.11256	2.8
105.07005	9.8
107.08569	22.2
107.88324	1.5
109.06491	2.3
109.10135	46.8
111.08040	10.3
111.11696	28.0
114.09126	6.9
117.72932	1.2
119.08556	13.6
121.10114	26.4
123.08005	3.2
123.11675	22.0
125.09574	9.1
125.13238	7.2
128.10669	3.4
131.00647	1.3
133.10120	16.4
134.06580	1.4
135.11679	19.3
137.09587	6.7
137.13229	7.5
139.11136	2.4
140.14281	1.7
141.12698	2.4
142.12206	2.0
147.11655	14.2
149.13226	10.7
151.11156	6.3
151.14781	2.1
154.12260	6.2
155.14246	3.3
159.11613	1.6
161.13222	12.2
163.14804	6.8
164.14316	7.1
165.12703	1.7
168.13695	1.5
175.14780	8.1
179.14264	2.8
182.15399	2.4
182.19075	1.6
184.16864	1.7
189.16333	5.6
191.17784	1.8
194.15508	1.8
206.18890	1.4
207.17403	1.7
212.20056	2.7
214.17836	1.7
217.19353	1.7
219.20918	1.7
236.16299	1.6
249.22090	1.8
276.23328	1.6
277.21161	4.3
294.24261	8.7
301.28854	9.0
312.25354	1.6
318.24222	2.8
319.29895	32.4
336.25293	14.0
336.28790	7.1
336.32462	39.5
337.30945	9.0
354.26022	41.5
354.29846	16.5
354.33615	68.1
355.31860	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42966	1.1
55.22999	1.1
57.07082	1.4
65.25257	1.1
69.07048	1.4
71.08619	2.1
88.07591	2.5
92.16932	2.1
115.18243	1.3
121.39581	1.3
142.68861	1.3
162.14275	1.3
184.31711	1.3
212.96138	1.4
262.35846	1.3
280.08981	1.4
284.29456	22.4
354.30182	2.9
354.37244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99829	1.2
56.89834	1.1
57.03404	2.1
69.03419	2.6
71.01331	8.3
73.02888	9.0
85.02885	21.8
92.45343	1.3
95.04961	1.9
97.02868	2.8
99.00784	2.2
101.02364	2.9
105.03368	100.0
105.07011	1.3
106.36489	1.3
113.02329	13.0
121.74155	1.5
123.04392	7.5
130.06483	9.6
130.40907	1.3
131.03366	2.6
141.01842	2.8
179.06915	12.2
186.22319	1.3
187.41409	1.3
355.09982	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	355.117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19814	0.3
59.75828	0.2
65.03936	0.3
71.08624	0.3
81.07030	0.3
85.02866	1.6
91.05444	3.3
92.17410	0.4
98.97577	0.6
107.04933	11.3
116.98592	0.5
119.04917	17.1
121.10052	0.4
129.06985	1.6
133.06387	0.4
134.99678	0.5
143.78969	0.4
145.06479	0.7
147.04381	100.0
157.06435	1.1
165.06902	0.5
167.06985	1.2
173.05933	0.6
174.06752	0.5
177.05380	0.3
183.07970	1.0
190.07794	0.4
191.07002	0.7
195.07956	0.4
204.07899	0.4
208.08856	2.5
209.09563	0.6
211.07480	5.5
215.08682	0.4
217.08565	3.0
218.07224	2.2
219.07944	3.2
221.09581	0.5
222.06615	0.3
223.11197	1.2
233.09587	2.9
236.08276	3.4
236.98552	0.4
237.09068	1.4
239.06880	2.1
246.03748	0.3
247.07501	1.5
250.97502	0.4
251.10609	3.3
256.07275	1.1
261.08936	1.9
263.06976	0.5
264.07785	0.7
265.08560	0.5
271.09607	9.1
277.08600	0.5
279.10071	2.5
290.94781	1.3
295.09476	0.4
296.10278	0.6
311.12766	0.5
323.09091	1.8
355.11774	6.9
355.18475	3.4
356.23462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2263
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.88414	0.5
53.50590	0.4
55.58796	0.4
57.07068	4.8
60.74377	0.4
64.79991	0.4
66.36169	0.4
69.03433	0.4
69.07036	0.5
71.69357	0.5
72.09178	0.5
73.70188	0.4
81.07039	1.1
91.05472	0.6
93.07014	1.1
97.10169	0.5
107.08570	0.6
109.10144	0.6
119.08577	3.8
121.06487	18.7
121.10089	0.6
133.10091	0.9
135.04370	1.9
135.08069	4.3
135.11665	0.7
137.09587	5.8
149.09615	0.6
149.13216	2.4
157.73865	0.5
161.09569	1.1
163.11095	0.6
175.07520	9.1
177.12717	88.6
179.10680	2.3
191.10640	100.0
209.58060	0.5
238.56253	0.5
248.96249	0.5
263.22659	0.6
299.16376	12.2
303.41086	0.5
355.22614	35.8
355.27090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
52.32606	3.4
55.05500	17.1
57.03426	3.9
57.07064	16.8
58.01033	3.4
67.05495	65.1
69.07058	39.2
71.08601	3.4
72.69754	3.9
79.05480	15.7
81.07043	100.0
81.87694	3.6
83.08598	29.1
91.05494	7.0
93.07023	26.3
95.08586	91.3
97.06507	7.6
97.10159	18.1
99.08080	3.3
105.07003	5.9
107.08577	22.5
109.10132	58.7
111.11710	7.4
119.08533	14.4
121.10120	39.7
123.11659	29.4
133.10120	26.2
135.11668	24.4
147.11684	4.1
149.13235	13.1
151.14755	5.0
151.99506	3.2
154.40129	3.3
161.13228	21.2
163.14795	13.9
175.14795	8.1
189.16386	7.0
203.17889	4.2
245.22589	55.0
263.23648	63.8
337.27423	38.2
355.28336	18.4
358.53473	3.4
374.88965	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
52.23415	1.9
55.05517	19.0
57.03424	10.0
57.07074	15.4
67.05508	64.7
69.07068	32.5
71.08631	5.0
79.05485	20.8
81.07057	100.0
83.08608	35.1
85.06550	2.7
91.05476	13.4
93.07032	24.9
95.08600	98.1
97.06525	10.7
97.10156	16.5
99.08081	3.7
105.07037	5.0
107.08580	18.6
109.10160	53.0
110.80923	2.3
111.11696	4.3
113.09781	2.2
119.08595	13.3
121.10139	32.4
123.11702	25.6
125.09647	2.7
133.10144	21.6
133.46230	2.2
135.11678	16.2
137.13263	10.8
147.11691	15.4
149.13271	11.9
151.14815	5.6
155.14392	2.8
155.80707	2.6
161.13252	15.0
163.14825	11.1
165.16383	9.3
174.18335	2.5
175.14824	12.1
177.16359	3.2
179.17920	4.6
189.16394	4.0
245.22615	60.4
263.23633	74.7
281.24564	2.6
337.27359	59.6
355.28381	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	355.2835
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03928	0.6
54.28966	0.5
55.05508	29.2
57.03432	12.1
57.07078	6.6
61.19851	0.6
67.05495	32.1
69.07056	40.9
69.07437	1.4
71.04962	3.2
71.08621	1.2
79.05476	9.7
81.07045	49.2
83.08609	32.3
83.09054	0.7
85.06537	2.5
91.05460	4.3
93.07027	13.4
95.08589	46.3
97.06503	5.6
97.10146	16.9
105.07001	5.3
107.08569	11.0
109.10139	18.0
111.08054	3.6
111.11678	4.2
111.12345	0.6
116.98576	0.9
119.08570	6.1
121.04220	0.7
121.10117	11.8
123.11673	6.4
133.10121	6.3
135.11664	7.1
137.09581	0.8
137.13257	2.4
147.11697	3.3
149.13263	1.4
151.11197	0.7
151.14854	0.7
161.13223	2.7
163.14749	1.3
175.14706	1.2
245.22646	2.6
263.23627	5.3
290.94440	1.1
291.12607	3.8
307.46320	0.7
337.27396	5.4
355.28351	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	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05498	18.9
55.95476	3.3
57.03425	6.5
57.07061	16.6
67.05490	59.3
69.07066	39.1
69.51784	2.6
71.08605	7.3
72.57394	2.9
77.92731	2.9
79.05476	20.0
80.78344	2.5
81.07050	100.0
83.08614	26.1
85.06557	5.2
85.94302	2.7
90.73528	2.8
91.05460	15.5
93.07027	32.7
95.08589	96.2
97.06516	4.8
97.10130	22.8
99.08037	4.1
105.07035	7.5
107.08596	24.6
107.95670	2.9
109.10127	50.8
111.08085	6.2
111.11749	3.9
113.53341	3.2
119.08544	18.9
121.10145	31.9
123.11678	30.0
133.10115	19.4
135.11673	11.5
137.13271	6.5
147.11673	16.9
149.13248	15.5
151.14862	4.2
161.13235	15.3
163.14792	6.4
165.16382	4.2
175.14781	14.0
189.16263	4.4
236.98601	4.0
245.22618	46.7
263.23694	55.5
312.06259	3.2
337.27362	34.2
355.28497	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	355.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.0
55.53004	0.5
57.07073	7.8
58.02945	2.6
63.58665	0.5
67.05477	1.2
69.03401	2.8
69.07037	0.7
71.08636	6.8
72.08145	35.5
81.07040	3.8
83.08600	2.6
85.10182	4.4
89.10759	2.3
95.08588	6.3
97.10137	2.3
99.04411	0.8
99.09203	16.0
100.07604	100.0
109.10139	3.2
113.44582	0.6
115.79276	0.6
117.10233	85.7
121.10043	0.6
123.11663	1.2
137.85696	0.6
144.30763	0.5
147.11743	0.5
175.75188	0.6
189.02583	0.6
213.87004	0.6
239.23584	1.0
310.30963	12.0
327.33640	6.8
355.28360	3.3
355.33118	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	356.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.5
55.05736	2.4
56.05026	3.3
57.07069	5.1
58.06585	9.0
59.06114	2.7
60.04511	33.3
62.14517	1.6
67.05142	4.0
67.05492	73.4
69.07059	30.7
70.06573	15.5
71.04981	3.0
71.08592	9.1
71.13603	2.0
79.05485	16.1
81.07044	100.0
82.06586	3.9
83.04986	4.3
83.08604	23.3
84.08141	2.5
84.63142	1.9
85.10175	2.6
91.05471	4.0
93.07021	30.8
94.06571	3.2
95.08582	75.5
96.08103	3.4
97.06522	3.3
97.10165	15.9
98.09686	4.0
99.08076	5.0
100.11240	34.9
105.07006	12.0
106.08654	3.3
107.08578	21.7
109.10123	46.4
111.08062	4.2
112.11212	8.3
114.12751	7.2
117.07042	2.0
119.08574	12.2
121.10075	18.3
123.08025	4.9
123.11690	17.5
125.09629	2.4
126.12763	12.8
128.14319	17.1
130.12248	14.2
131.08545	8.5
133.10091	3.6
135.11658	15.1
137.09637	2.6
137.13254	4.9
138.12741	3.8
139.11147	2.4
140.14307	12.7
145.10106	4.6
147.04832	2.6
147.11674	8.1
149.09695	3.4
149.13225	8.7
154.12228	10.7
156.13815	4.1
159.11661	11.6
161.13277	3.5
163.11246	3.3
163.14760	3.8
165.12675	3.2
166.15858	23.5
168.13748	4.0
172.13272	12.7
173.11794	2.4
173.13225	8.6
177.12663	3.2
180.13704	2.1
182.15350	11.6
184.13287	10.5
184.16917	5.0
186.14835	3.1
187.14857	3.1
198.14920	9.7
200.16449	8.6
212.16446	2.7
216.15727	2.0
220.17068	4.2
238.17995	14.3
256.19006	4.5
261.22031	10.2
276.23450	2.2
278.24716	35.2
279.23154	4.2
294.24173	3.1
296.25754	89.0
303.22668	2.2
320.25793	14.7
338.26752	72.2
338.30179	5.1
356.27728	89.3
356.34482	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	356.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.9
55.92056	1.7
56.15330	1.7
57.07088	2.4
60.01945	1.8
66.86184	1.9
67.05488	4.9
69.07054	5.4
72.04524	2.1
73.85264	1.8
74.05656	3.7
74.06068	89.1
81.07043	11.7
83.08602	4.0
88.18881	2.3
92.07104	100.0
93.07035	3.5
95.08598	8.7
97.10137	2.8
107.08552	3.1
121.10122	3.1
135.11690	2.9
157.44818	2.1
224.34032	2.4
338.26627	2.9
338.30499	54.6
356.28000	10.6
356.31543	56.0
356.35745	4.7
376.57153	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	357.0963
Annotation	Ophiopogonanone C
Peak:m/z	Relative Intensity
75.32533	0.9
80.27949	0.9
81.06365	1.0
91.05439	1.6
105.07008	7.1
119.04922	5.7
121.10098	1.3
130.04120	6.2
131.04909	6.0
133.02771	1.0
133.06439	6.6
137.05981	7.7
145.02821	1.3
146.03607	20.8
147.04407	14.3
148.99734	0.9
149.02385	2.0
149.05952	2.1
151.07494	2.4
153.05426	1.6
161.02324	11.1
161.05943	84.0
162.03079	4.1
162.06728	20.3
163.03911	1.3
177.01761	5.2
177.05418	4.8
178.02586	6.1
179.03357	100.0
189.01826	1.7
213.26064	1.3
215.03331	1.3
233.04378	4.5
251.06868	1.4
279.06488	7.4
307.05984	41.1
307.09454	2.3
321.11066	1.2
324.06119	2.4
327.08664	8.4
339.08548	39.0
339.12549	1.5
357.09576	83.8
357.13162	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	357.0963
Annotation	Komodoquinone B
Peak:m/z	Relative Intensity
50.13515	2.5
51.91446	1.8
58.81441	1.9
59.41916	1.7
65.33405	2.2
67.33629	2.0
69.03409	1.9
71.04982	2.5
72.05768	1.9
72.35277	2.0
77.20423	1.8
81.03417	2.8
85.24577	2.2
107.04974	2.1
109.06508	4.7
109.32021	2.1
137.05954	100.0
145.02811	11.0
147.04433	4.0
151.03853	3.1
155.46152	2.3
161.05962	4.3
162.06763	18.2
175.07478	3.0
175.87686	2.4
177.05408	22.8
187.45784	2.1
191.03345	3.9
203.03331	27.9
215.03429	4.4
277.08505	4.5
278.05658	3.7
279.06467	18.0
289.05002	5.4
293.08054	5.4
297.11301	2.6
306.05167	9.4
307.05954	83.0
311.08975	3.2
316.06030	3.7
319.09036	2.5
321.07578	15.0
324.06366	28.3
327.08609	3.0
327.12170	2.5
339.08606	78.7
339.12344	5.1
357.09595	99.8
357.13528	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	357.1174
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
52.76968	0.1
58.52890	0.1
67.56658	0.1
69.03404	0.7
81.03416	1.7
85.02902	1.3
89.03892	1.4
99.04419	0.2
109.02849	0.9
117.03355	4.8
127.03912	0.2
134.03587	0.2
142.13431	0.1
145.02824	43.4
149.05949	2.5
163.03822	0.3
177.05437	100.0
195.06494	1.6
321.09653	2.0
339.10654	3.8
344.99936	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	357.1171
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
55.01860	1.2
60.90343	0.3
62.62951	0.3
69.03400	0.5
69.81155	0.3
72.05949	0.3
81.03431	2.2
81.03828	0.3
85.02876	1.4
89.03904	1.3
91.05467	0.4
109.02876	0.4
114.09177	0.4
117.03364	5.8
125.05943	0.4
135.04379	0.4
137.05963	8.1
145.02837	48.9
147.04366	0.5
149.05971	4.0
153.05484	0.4
161.05988	0.6
162.06689	0.4
163.03804	0.4
165.05370	0.4
175.07520	0.7
177.05449	100.0
186.05467	0.3
195.06519	0.7
203.07072	2.7
215.06993	1.7
219.08104	0.6
247.07448	0.6
249.08997	1.1
257.05695	0.4
261.09134	0.3
263.06952	0.3
264.07599	0.4
277.08557	0.6
289.08466	0.4
294.08795	0.5
307.09625	0.6
309.11099	0.6
321.09891	1.4
327.12228	1.2
339.10641	4.5
345.02252	0.3
357.13251	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	357.133
Annotation	(+)-EI 1507-2
Peak:m/z	Relative Intensity
55.01879	13.8
56.65303	3.3
62.88203	3.8
67.55096	4.1
81.07052	5.6
87.16225	4.1
105.07040	4.9
107.04949	10.0
109.06495	5.4
113.06030	4.1
119.04902	13.8
121.06480	3.7
121.10149	4.6
125.06033	5.3
133.02855	18.4
137.05966	100.0
143.04922	4.9
145.02867	8.9
145.06456	5.1
145.10028	5.1
147.07983	4.5
149.05994	7.8
151.03893	8.3
153.05367	4.5
159.54803	3.9
160.40730	3.8
161.05981	23.9
163.07587	4.1
165.05458	30.5
169.27246	4.4
177.05435	39.3
203.06915	7.3
215.06976	6.1
219.08006	26.7
235.07437	4.5
236.08214	5.6
246.06618	5.3
247.07585	34.9
248.08424	6.1
249.09053	6.7
257.05896	7.7
261.08997	17.7
264.07813	8.8
265.08472	6.9
274.06277	16.6
275.06927	4.2
276.07742	5.6
277.08667	9.1
278.09271	4.5
279.06531	4.6
279.10110	16.2
289.08557	33.0
290.09360	5.7
292.07431	5.2
306.08884	7.9
307.09653	38.1
321.11182	49.4
327.12244	33.2
339.12253	52.8
357.09494	7.4
357.13297	52.0
357.20258	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	357.1324
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
54.85505	0.5
58.98704	0.4
93.07036	0.6
100.83817	0.5
109.02861	0.5
117.06979	0.8
120.00274	0.5
121.02855	2.0
122.03542	0.6
123.08141	0.5
137.05951	100.0
143.04926	6.0
145.02837	3.6
145.06462	0.6
147.04411	0.8
151.03877	17.2
153.05383	0.6
161.05940	0.7
162.06677	0.7
165.05383	0.6
167.06963	0.5
171.69850	0.5
175.07486	3.7
177.05417	8.0
177.09116	0.7
195.06570	0.6
203.06996	0.9
205.08557	1.1
212.32858	0.6
224.28224	0.5
265.08499	0.6
297.11179	0.9
325.10544	0.9
327.11960	4.6
357.13254	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01867	11.6
71.54535	1.0
81.07049	1.3
91.05438	4.1
93.03365	1.9
103.05448	1.3
107.05011	1.3
108.96058	1.2
109.06519	2.9
111.04450	4.9
121.06490	1.4
122.03633	2.1
125.05968	6.5
131.04886	5.6
137.05966	100.0
143.04924	4.6
144.05736	1.3
145.02844	5.2
147.04413	2.2
147.08112	4.8
149.06018	6.2
151.03908	5.4
153.05463	6.0
155.04901	2.6
159.04404	1.1
160.05180	2.3
161.05960	15.3
162.06732	5.3
163.07489	1.9
165.05429	20.8
165.06702	1.7
171.04414	2.0
175.07553	13.6
177.05420	15.5
183.04425	2.2
187.07582	6.0
191.07066	3.1
191.08569	7.0
203.07037	7.6
205.06488	1.7
207.08035	1.9
214.67825	1.3
215.07060	7.6
216.50887	1.3
217.06386	5.2
218.07251	6.0
219.08025	16.9
221.06041	1.3
224.08200	1.7
229.06514	5.3
233.09641	4.8
234.06676	5.1
235.07561	6.0
236.08357	5.5
246.06744	10.6
247.07462	23.7
248.08310	5.3
249.09126	12.9
251.06989	1.8
251.10684	4.8
252.07697	2.0
257.05969	5.4
258.06732	2.1
259.07529	1.5
261.09036	25.6
262.06296	5.0
263.07086	7.8
264.07809	14.1
265.08569	6.0
267.10165	7.6
269.07996	2.2
274.06201	12.8
275.07013	13.9
276.07840	2.6
277.08600	21.1
278.09241	9.0
279.10089	15.4
280.07535	1.9
281.08075	1.4
288.07684	1.5
289.08569	31.8
290.09262	2.6
291.06396	2.2
292.07336	2.3
293.08044	1.2
294.08856	7.2
295.09512	4.0
306.08798	9.8
307.09601	40.4
307.13159	1.5
309.07852	2.3
309.11057	14.9
311.12653	1.9
321.11185	50.8
321.14743	2.6
327.12234	29.4
328.24808	1.4
339.12250	42.9
357.13309	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	357.1326
Annotation	(+)-EI 1507-2
Peak:m/z	Relative Intensity
51.03416	1.0
51.19640	1.0
51.46773	1.0
55.01873	20.8
57.53335	1.1
70.90621	1.5
79.05479	1.5
80.22585	1.3
81.07047	2.6
91.05457	2.8
93.03416	3.3
93.88202	1.4
101.46260	1.6
105.07014	1.5
109.06497	7.5
111.04418	3.6
115.55693	1.4
121.06463	1.9
122.03613	6.0
125.05959	9.3
131.04910	7.2
133.06464	6.3
137.05948	100.0
143.04900	6.2
145.02805	2.7
146.03508	2.3
147.04350	2.4
149.05948	3.4
151.03874	2.3
153.05444	2.7
155.04868	3.5
160.05139	2.1
161.05954	26.6
162.06708	7.8
165.05450	37.7
165.06801	2.7
166.46729	1.4
171.04384	2.9
175.07533	6.6
177.05373	16.2
183.04413	3.0
185.05940	1.9
187.07500	6.8
189.06905	2.3
190.07692	2.4
191.08484	12.5
203.07040	8.7
203.08676	2.1
205.06369	1.6
207.07997	3.1
215.06911	11.0
216.01280	1.5
217.06470	2.0
218.07256	13.8
219.07988	33.1
220.08804	2.4
221.06061	1.9
221.09537	1.7
229.06474	8.2
233.09589	7.3
234.06697	7.7
235.07513	10.0
236.08209	7.2
242.38918	1.8
245.05960	2.5
246.06668	17.6
247.07483	41.9
248.08237	6.4
249.09006	15.6
251.07085	2.5
251.10594	6.2
252.07687	1.6
253.08470	3.2
257.05972	8.3
257.45981	1.8
259.07407	5.9
261.09009	45.2
262.06253	6.3
263.06998	12.7
264.07715	21.2
265.08603	7.6
267.10135	7.3
274.06158	21.5
275.06976	23.8
276.07800	6.1
277.08530	27.0
278.09238	15.6
279.10040	23.8
281.07959	2.0
284.10416	3.1
289.08530	54.5
290.09262	11.3
291.06528	7.4
292.07220	9.0
293.08008	5.6
293.11462	2.4
294.08826	9.3
295.09573	2.4
306.08731	18.2
307.06046	3.4
307.09564	79.1
308.10474	1.8
309.07565	6.1
309.11160	17.3
321.11145	94.3
324.09790	1.6
324.27896	1.6
327.12231	27.1
339.12198	77.8
357.09137	2.7
357.13220	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	357.1326
Annotation	Coniferyl ferulate
Peak:m/z	Relative Intensity
50.58702	1.6
53.14173	1.8
57.03468	1.8
57.20770	1.7
59.38077	1.9
61.77504	1.7
62.01348	1.7
69.07074	2.3
81.07025	2.2
91.05482	2.8
95.08583	2.6
103.05474	3.3
104.40766	2.1
105.06997	27.4
106.04131	20.8
114.74286	2.0
115.05422	2.5
119.04925	2.8
119.08562	2.1
121.06468	19.6
125.05902	2.4
129.89688	2.1
130.04169	3.3
131.04883	15.3
133.02832	17.3
133.06467	78.5
137.05954	24.0
147.04422	16.6
149.05956	96.8
150.06703	3.0
153.05357	2.2
159.08035	3.5
161.05949	58.8
162.06683	16.6
163.07530	10.2
165.05377	2.6
175.07495	8.3
177.05434	100.0
187.07512	8.0
215.07030	16.9
219.08095	3.0
307.09680	4.6
327.12341	8.8
339.12161	22.0
357.13278	13.1
357.19989	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	357.1325
Annotation	(?)-Balanophonin
Peak:m/z	Relative Intensity
51.60233	0.7
55.01668	0.9
55.01872	15.6
70.49455	0.8
79.05499	1.1
81.03407	1.1
83.96246	0.9
89.03882	1.4
91.05462	4.8
92.62509	1.1
93.03378	2.0
93.07021	1.8
103.05471	2.3
107.04918	1.5
109.02885	1.6
109.06532	1.3
111.04444	2.3
115.05421	1.6
117.03334	4.9
119.04912	5.0
121.06470	4.5
122.03597	1.2
125.05975	6.6
131.04878	5.0
133.06451	1.3
135.62149	1.0
137.05959	82.6
143.04890	4.5
145.02817	38.2
145.06461	1.7
146.03683	1.2
147.04402	10.1
147.08023	3.8
149.05972	7.6
150.06726	4.3
151.03920	3.3
151.07520	1.4
153.05446	5.2
155.04829	1.9
160.05124	1.4
161.05948	13.2
162.06712	6.0
165.05394	4.8
171.04320	2.0
172.05154	4.2
173.05939	3.8
175.07515	17.2
177.05431	100.0
179.06987	4.4
180.07825	1.0
181.63948	1.1
183.04396	4.1
185.05949	10.7
187.07483	4.9
188.04651	2.4
189.05440	1.4
189.06993	1.8
191.06941	2.2
191.08539	1.7
200.04541	1.3
203.06978	31.4
207.07980	3.5
215.06964	19.4
217.06490	3.9
218.07063	1.1
219.07990	6.2
230.36018	1.1
234.06630	2.1
235.07507	5.7
236.08324	1.4
245.06012	1.2
246.06639	2.1
247.07397	8.5
249.09021	10.9
251.07074	1.3
251.10480	1.7
261.09082	7.4
262.06210	4.4
263.06989	4.3
264.07748	4.6
265.08533	5.6
267.10089	5.6
274.06119	1.5
275.06937	3.7
277.08542	16.1
278.09317	1.5
279.06564	1.9
279.10052	6.2
283.09570	1.2
283.80035	1.1
289.08530	6.9
292.07086	1.4
294.08972	9.0
295.09653	4.2
307.09634	10.4
309.11090	12.9
311.12799	1.5
321.11084	5.2
327.12192	16.6
339.12326	7.0
339.17087	1.0
357.13245	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60427	1.2
67.05488	2.3
69.07037	1.9
72.08128	2.1
77.92214	1.4
81.07052	1.4
82.42028	1.5
84.82899	1.5
89.66853	1.4
93.07039	2.0
95.62739	1.6
98.97569	10.3
107.08604	2.0
116.98591	7.7
132.77788	1.6
134.99658	5.9
147.04372	6.6
147.11581	2.0
148.04739	6.8
159.25992	1.6
161.05927	3.1
212.54742	1.5
235.09186	2.7
252.52054	1.5
274.97415	8.5
292.94757	6.6
292.98483	3.5
297.97897	1.5
310.95874	2.3
357.20273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2992
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.06823	1.3
54.99745	1.4
55.01860	1.4
55.05507	34.5
57.03433	15.0
57.06805	2.1
57.07070	41.5
67.05495	62.7
68.98860	1.2
69.07058	100.0
71.04980	3.1
71.08619	29.8
79.05485	28.1
81.07047	78.1
83.08610	82.1
85.06538	5.3
85.10156	16.7
93.07031	44.8
95.08591	89.3
97.05906	2.1
97.06504	24.4
97.10149	56.1
99.08057	1.5
107.08575	52.6
109.10136	52.7
109.10888	2.1
111.08061	14.7
111.11707	16.6
121.10114	94.2
123.11669	13.2
125.09586	6.2
135.10681	3.1
135.11679	71.7
135.12712	2.9
137.13251	3.2
139.11159	6.0
149.13234	30.5
151.14778	5.9
153.12709	2.4
163.14827	9.0
165.16374	3.5
171.87122	1.5
177.16376	7.5
184.16206	1.4
191.17888	2.9
244.03561	1.6
247.24124	35.5
252.91951	1.4
265.25204	57.6
283.26291	12.6
339.28857	44.0
357.29913	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	357.2995
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.02573	1.8
55.05287	2.2
55.05508	36.3
57.03426	13.1
57.07066	35.5
67.05499	55.5
68.57948	2.0
69.06696	4.7
69.07056	100.0
71.04985	4.6
71.08622	26.5
76.17353	2.2
79.05484	27.7
81.07047	87.9
83.08606	77.7
83.14342	2.4
85.06514	4.7
85.10206	16.9
86.81754	2.5
91.05404	3.0
93.07029	48.6
93.68661	2.3
95.08588	85.4
97.06516	23.9
97.10151	50.0
99.08046	2.9
107.08581	42.5
109.10144	49.4
111.08055	11.7
111.11703	21.8
112.57281	2.2
121.10118	93.3
123.11661	18.2
125.09602	4.5
131.76260	2.3
135.11671	69.4
137.13248	4.3
139.11165	10.0
149.13248	26.4
151.14842	2.8
163.14772	11.0
165.16379	9.6
167.14284	3.2
177.16251	2.8
191.17932	2.9
223.20518	2.3
247.24139	50.0
265.25220	91.3
283.26276	11.4
339.28836	63.2
357.29916	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	358.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98251	0.4
66.91492	0.3
69.97508	0.3
79.44078	0.3
79.62238	0.3
85.28752	0.4
87.63701	0.4
89.03891	0.5
94.89018	0.4
95.04971	1.4
117.03364	3.2
121.06527	0.4
123.04402	32.7
145.02818	38.2
147.04391	1.3
147.82825	0.4
149.05952	0.7
165.05423	8.2
171.53133	0.4
177.05426	100.0
194.08084	38.1
256.82654	0.4
340.12103	0.5
358.13016	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	358.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07708	0.7
53.73382	0.8
55.01860	1.2
55.84156	0.7
56.62170	0.8
104.71981	0.8
105.06985	1.3
117.03336	1.5
130.04097	5.0
131.04948	2.0
133.06494	1.5
135.04387	2.0
137.05971	10.0
145.06488	1.1
147.04398	5.1
149.05942	1.0
150.06665	1.3
159.04361	1.1
161.05949	5.6
162.06723	43.7
163.07520	1.7
165.05365	0.9
174.06775	4.0
175.07536	2.1
191.08559	4.7
194.07202	1.0
195.08006	0.9
196.78596	0.9
203.08464	2.0
207.08060	3.1
219.08026	15.6
220.08789	3.6
221.06053	1.9
221.09554	2.0
223.07545	2.2
224.08365	1.3
225.08994	1.8
231.08017	2.0
232.09039	0.9
233.09563	4.0
234.06680	1.7
234.10373	4.7
235.07465	6.9
236.08287	1.8
237.09117	5.2
238.06079	1.0
239.06880	1.2
239.10617	1.0
247.07480	12.5
248.08315	5.2
249.09114	4.4
251.06926	1.0
251.10571	5.7
252.07784	3.8
252.11365	4.1
253.08580	7.9
257.05780	1.1
259.07501	1.6
261.09106	5.6
262.09888	4.5
263.06989	3.3
263.10577	1.1
264.07718	4.8
265.08597	9.4
267.10098	5.8
269.08081	1.5
272.10406	5.3
275.07092	1.4
277.08606	3.7
278.09259	1.9
279.10104	9.4
280.10825	1.7
281.08054	7.8
281.11838	1.0
282.08932	1.5
285.11292	3.6
289.08447	1.2
290.09262	1.2
291.10098	5.1
293.11633	0.9
295.09634	4.4
297.11050	7.6
300.13596	4.6
304.10654	1.0
307.09525	4.5
308.10324	11.5
309.11105	4.1
310.11905	6.1
317.20972	1.4
322.11993	4.4
325.10641	48.5
328.12958	14.8
339.12103	1.3
340.12997	100.0
358.14081	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	358.2372
Annotation	Spiradine G
Peak:m/z	Relative Intensity
58.65520	6.7
76.99723	7.2
81.07052	10.0
81.84074	6.7
85.92971	6.7
102.53354	6.7
105.90934	6.5
121.06460	8.2
129.25044	8.1
149.09627	7.9
194.41141	7.2
221.21071	7.9
269.18994	15.9
271.20554	100.0
315.19611	86.7
338.35135	7.4
358.23642	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1479
Annotation	Prestegane B
Peak:m/z	Relative Intensity
55.72281	1.0
66.72492	1.1
91.05447	12.4
92.16865	1.1
93.07019	1.4
95.04929	1.6
96.28163	1.1
99.04445	1.3
103.05456	24.5
105.03393	1.9
105.07007	8.1
106.02878	2.8
107.04935	5.1
109.06477	4.7
114.58383	1.2
117.07034	1.4
119.04920	29.1
121.06474	6.7
122.03628	2.6
129.06923	1.7
131.04904	97.7
133.06471	9.7
137.05954	100.0
147.04382	15.3
147.08086	1.8
149.05962	10.2
151.03856	7.9
151.07529	11.1
155.05019	1.4
161.05934	22.1
162.06683	10.8
163.07504	23.9
175.07491	27.0
179.05534	1.3
179.06993	7.9
187.07535	11.6
191.08546	1.4
193.08556	10.2
205.08505	12.6
219.07980	5.2
231.08040	2.6
235.09674	2.5
247.07524	2.4
248.08183	1.6
251.10605	2.6
259.07639	1.5
279.10114	5.1
285.11191	1.4
291.10226	1.6
296.10281	1.5
309.11160	1.5
311.12701	7.2
323.12415	1.8
329.13809	2.5
335.75049	1.3
341.13696	4.6
359.15039	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	359.1485
Annotation	Prestegane B
Peak:m/z	Relative Intensity
53.03926	0.5
54.77779	0.4
55.01847	0.7
55.27911	0.4
56.94598	0.4
74.17368	0.4
74.99290	0.4
75.12125	0.4
76.68898	0.5
76.73365	0.5
80.19508	0.5
81.07042	0.7
91.05472	6.7
93.07008	2.9
93.86969	0.5
95.04955	2.1
103.05458	25.7
105.03362	2.1
105.07020	7.3
107.04939	1.3
107.59081	0.5
109.06503	3.3
115.05445	0.9
117.06970	0.7
119.04922	14.3
119.08530	0.7
121.06483	4.8
122.03622	1.1
122.04775	0.6
123.08076	0.8
125.05945	0.5
129.07019	0.7
131.04910	100.0
133.02789	0.7
133.06477	7.3
134.03505	0.6
137.05962	63.1
143.04897	0.8
145.06424	2.1
147.04390	10.5
147.08022	2.1
149.05959	6.5
150.06755	0.7
151.03879	1.2
151.07515	8.5
159.08037	2.6
160.05197	1.0
160.57269	0.6
161.05943	15.1
162.06718	6.0
163.07516	23.4
173.05827	0.6
175.07503	15.8
177.09091	0.8
179.07025	5.4
187.07536	6.9
191.08504	2.0
193.07013	0.8
193.08549	6.3
205.08585	7.7
207.06395	0.8
207.08087	0.8
219.07985	4.2
231.07973	1.8
235.09619	2.0
247.07541	2.1
251.10518	4.7
265.08591	2.5
267.10434	0.5
279.10144	2.7
291.10110	2.5
294.44659	0.6
296.10355	0.9
297.11179	1.1
299.12634	0.7
309.11121	2.5
311.12628	5.0
323.12692	0.8
329.13919	2.1
341.09970	0.8
341.13867	2.5
359.11386	1.7
359.15216	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	359.1693
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
54.40404	0.7
55.01866	0.7
59.01551	0.7
69.03440	1.2
79.05495	0.8
85.02884	8.1
86.09685	9.2
91.05505	1.3
93.07014	1.6
95.04921	1.1
97.02838	1.9
100.65855	0.8
105.06963	1.1
106.87329	0.9
107.08574	9.7
109.06444	1.0
121.06475	0.9
124.03950	0.9
127.03860	1.1
131.04919	5.3
133.10051	7.7
135.11670	25.2
137.05930	1.8
151.11150	1.0
161.09578	9.5
179.09033	1.5
179.10622	41.6
189.12206	1.0
197.11681	100.0
253.08119	1.0
291.62488	0.8
321.50620	1.0
359.10727	1.0
359.17007	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	359.228
Annotation	Leu-Leu-Asn
Peak:m/z	Relative Intensity
53.95316	0.4
58.75679	0.4
69.07043	3.0
70.06572	0.7
85.82369	0.5
86.09682	100.0
87.05569	3.1
112.59686	0.5
114.09133	0.7
126.88911	0.5
133.06062	17.5
167.08138	0.7
168.08926	0.8
199.17984	10.7
227.17484	18.0
229.11717	0.9
246.14450	4.6
258.08936	0.6
274.34506	0.5
282.12259	4.3
300.13364	2.6
316.61969	0.5
359.18176	7.7
359.22797	6.1
359.29379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20409	7.4
55.05520	7.7
57.07061	35.1
66.61834	8.3
69.07060	17.0
69.19530	8.6
71.08634	17.2
72.04519	36.9
78.03806	16.7
79.83759	8.5
81.07062	18.3
85.10181	9.9
88.69608	8.0
95.08598	15.1
102.03750	45.6
109.10163	15.3
131.06310	13.1
132.04813	10.4
147.08112	9.7
149.07379	100.0
180.16013	9.2
194.25262	10.1
198.09489	8.4
203.72842	9.2
211.20511	10.6
258.80234	10.5
282.24454	29.6
359.27322	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94958	2.2
54.98111	2.3
55.01874	2.7
55.05510	5.0
56.77823	2.7
57.07063	6.0
67.05489	4.4
69.07056	65.7
74.06062	4.6
74.15880	2.5
79.05490	5.2
81.07045	15.9
83.04908	3.3
83.08611	18.1
84.54303	2.5
91.09674	2.8
92.16875	3.6
93.07030	18.6
94.36907	3.1
95.08599	16.6
97.06509	30.1
107.08587	16.1
107.41435	2.7
109.10130	13.2
111.08065	5.3
111.11738	11.3
115.47948	2.5
120.06593	4.5
121.06927	2.8
135.11679	80.4
153.11490	4.4
153.12711	100.0
153.13919	4.2
171.13760	52.9
188.27150	2.6
238.86517	2.8
291.75601	3.1
359.29852	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3153
Annotation	AKD 2A
Peak:m/z	Relative Intensity
53.00319	1.0
55.05298	0.7
55.05516	11.4
57.03441	9.6
57.07078	100.0
63.07364	0.7
64.76460	0.7
67.05505	24.7
69.07067	18.7
71.04967	0.7
71.08629	84.0
71.13146	0.7
75.04468	4.4
77.49165	0.8
81.07060	38.9
83.08611	21.6
85.06556	1.2
85.10180	53.0
89.06012	0.8
93.07085	0.8
95.08604	55.9
97.10165	21.4
99.11719	1.1
103.07594	1.0
109.10149	27.5
111.11717	7.8
121.10121	0.9
123.11702	11.8
125.13254	0.8
126.34285	0.8
128.13530	0.8
137.13222	7.1
151.14769	1.4
249.25690	3.8
267.26782	33.8
285.27814	5.6
341.30472	87.0
379.74536	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	359.3152
Annotation	AKD 2A
Peak:m/z	Relative Intensity
51.00334	3.5
55.05510	7.9
57.03426	7.6
57.06818	4.6
57.07076	100.0
59.13338	3.1
60.04516	3.4
67.05489	8.4
69.07057	17.5
71.08624	80.7
78.23478	3.3
81.07043	37.1
83.08614	30.1
85.06564	5.1
85.10168	46.9
88.05629	3.8
95.08620	46.4
97.10155	21.7
109.10161	25.5
111.11684	5.3
123.11696	4.3
130.69102	3.6
131.00443	3.4
244.89207	4.3
249.25803	3.4
267.26825	33.3
272.79343	4.2
314.76431	3.6
341.30457	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11979	1.1
60.08146	1.4
65.03957	1.1
69.03413	3.0
70.06557	1.8
74.57531	1.1
85.02882	19.6
86.09684	5.3
87.12032	1.1
97.02876	6.7
111.37971	1.3
127.03902	16.2
140.13216	1.3
145.04938	8.0
149.02301	100.0
163.03859	63.3
163.05890	1.8
164.69749	1.2
180.08638	1.5
181.04910	29.8
213.12219	1.5
272.24435	1.3
360.18985	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.9
56.05051	2.7
57.07082	2.5
58.02948	2.2
60.04500	1.9
67.05496	3.0
81.07069	4.0
83.08634	2.0
84.08141	18.7
86.06065	7.3
86.09725	2.3
87.04460	10.4
88.07659	3.0
94.06577	2.0
96.08109	2.8
98.09706	1.9
100.07637	3.5
102.09163	1.8
108.08119	2.0
109.10091	2.3
112.06908	2.1
112.07619	36.8
114.09164	34.5
121.10122	2.5
126.09129	4.2
130.08638	77.5
134.91170	2.2
142.08656	2.3
148.03177	1.9
195.26447	1.8
204.26152	1.8
224.37105	1.9
237.22137	2.5
271.20587	8.6
276.26904	2.6
294.28207	1.9
306.27838	7.4
306.71838	1.9
315.19397	7.2
324.29022	7.9
330.11285	2.1
342.30017	100.0
360.25299	58.6
360.31049	24.3
378.22882	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	361.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
54.35580	1.6
55.05513	21.2
56.64004	1.4
57.03448	1.8
57.04194	1.4
63.29889	1.6
69.03424	21.4
72.74215	1.6
73.06161	3.6
73.06543	78.5
77.79117	1.6
81.03410	24.8
85.02888	18.7
86.09654	2.3
92.17430	2.7
97.02888	8.3
99.04424	18.9
101.06002	100.0
103.03915	15.5
109.02847	13.2
110.03493	2.1
127.03895	30.3
127.06189	2.6
128.04524	7.7
138.01761	1.8
145.04979	1.9
152.04518	2.8
155.29921	1.6
159.74045	1.9
169.07161	2.2
170.05583	2.2
177.06570	2.0
199.09586	6.8
259.11749	61.7
356.40900	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	361.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27499	3.7
60.38998	3.0
62.94722	3.5
67.05473	6.5
69.07053	3.8
69.81027	3.5
71.04973	3.7
81.07066	5.5
83.04953	8.0
83.36101	3.4
93.07019	7.8
95.08594	6.1
107.08566	8.0
107.59930	3.3
108.16762	3.6
108.61458	3.4
109.10104	4.1
111.08070	6.2
115.65069	3.8
119.08553	5.6
121.10123	5.0
127.02108	4.3
133.10081	17.5
147.11620	6.2
156.33676	3.9
157.10178	12.4
159.11658	5.2
169.10100	5.7
171.11574	4.0
183.11667	51.1
197.13474	4.8
198.14093	5.1
199.14767	6.4
201.12712	4.2
211.14752	4.7
223.14851	3.7
237.16228	4.2
249.09309	4.4
259.11478	13.3
263.17804	4.3
265.19418	4.5
273.12946	5.5
322.07101	3.7
325.16098	19.3
343.17245	57.9
361.18231	100.0
361.22812	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	362.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
58.06594	0.9
60.08158	25.7
63.13047	0.5
66.16365	0.5
70.06567	0.8
83.04970	21.1
92.16753	0.5
92.64590	0.5
102.78708	0.7
130.06512	6.6
132.04460	4.6
134.16330	0.5
146.05983	1.2
157.07599	10.8
158.05969	11.5
159.09158	3.4
175.08633	23.2
175.10097	1.2
185.07124	1.0
198.97990	0.5
201.06554	1.1
203.08160	6.3
213.13757	0.6
221.09109	3.8
299.16196	0.6
303.13336	15.7
349.57074	0.6
362.20490	44.2
362.24127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.07059	0.4
60.10611	0.5
63.30411	0.4
67.05497	6.7
68.11474	0.4
69.07063	0.7
71.04620	0.8
71.04981	15.4
71.08602	2.1
79.05492	0.7
79.78439	0.4
81.07053	6.4
83.08596	0.8
93.07024	0.9
93.56057	0.5
94.08526	0.5
95.08565	2.4
96.10447	0.5
97.06489	0.5
97.10154	3.3
99.08078	0.8
107.08543	2.1
109.10137	5.5
119.08584	0.9
121.10152	0.6
123.11711	0.5
125.09602	3.4
133.10112	0.6
135.11685	0.8
149.13251	0.7
151.11163	0.8
155.10597	2.3
155.14299	6.9
173.11702	7.0
189.11165	0.6
195.13643	0.6
219.17636	0.5
227.16360	5.9
277.21606	1.8
278.79858	0.5
295.22549	0.6
362.24075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	4.3
57.03426	1.5
57.36391	0.7
67.05489	26.5
69.03387	1.7
69.07030	6.8
71.04977	3.5
71.08622	9.5
72.19574	0.8
79.05471	4.3
81.07040	16.1
83.04956	1.5
83.08601	10.6
85.06528	1.8
91.05428	1.6
93.07009	9.9
95.08600	8.4
97.06506	1.4
97.10137	13.8
99.08073	6.4
105.06993	4.0
107.08578	10.2
109.10130	44.7
111.08049	3.5
116.92582	0.9
119.08557	7.5
121.10104	4.5
123.08022	1.7
123.11680	1.1
125.09591	17.1
131.08566	1.5
133.10104	4.0
135.07948	1.7
135.11662	5.5
137.09578	5.1
139.11124	1.1
143.08614	1.3
147.11580	1.7
149.13252	7.6
151.07436	1.1
151.11090	1.9
153.09044	1.3
155.10617	19.9
159.11642	3.5
161.13182	1.3
163.11111	3.7
163.14746	1.0
165.12691	1.1
173.11690	39.2
173.12949	1.4
177.12679	1.3
187.13255	32.6
195.13750	3.8
203.12717	10.2
225.18495	1.0
227.16289	6.5
241.19569	1.2
259.20508	1.0
277.21518	13.7
282.98743	0.9
290.05792	1.0
291.23108	1.9
295.22662	4.0
298.11575	1.0
309.24124	15.5
327.25549	1.1
332.42038	0.9
362.24045	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	362.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.82501	0.3
67.05492	0.5
69.07063	1.3
70.06580	3.6
71.08621	5.7
72.08147	100.0
79.05466	0.3
81.07053	1.8
83.08611	0.3
86.40874	0.3
93.07044	1.4
95.08599	1.9
97.10210	0.2
98.06044	7.3
99.08073	3.0
107.08590	0.5
109.06478	0.3
109.10147	1.1
119.08563	0.6
121.10155	0.5
123.08052	0.3
132.69183	0.2
133.10139	0.3
135.11681	0.5
140.10683	1.5
154.12262	1.3
165.12746	2.3
168.13763	0.6
175.14816	0.4
182.15379	1.1
194.15421	1.1
196.17036	1.4
208.16983	1.0
210.18581	0.5
235.16953	0.9
238.17981	1.2
247.40239	0.3
264.23148	9.2
291.23129	3.1
327.69681	0.3
362.24203	13.3
362.30606	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	363.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76513	1.6
64.15878	1.7
70.73514	2.0
75.61919	1.7
78.76957	1.7
81.07013	3.1
82.17545	2.1
83.01329	13.4
97.02880	4.2
103.86417	2.3
109.02877	3.0
121.06497	29.2
134.03622	3.0
143.03415	18.2
149.05969	100.0
157.04979	12.0
161.05965	29.7
162.03091	16.5
177.05457	52.8
189.05434	30.9
199.07748	2.2
207.06517	17.9
227.07108	8.1
229.01479	3.8
239.07040	3.0
241.08614	12.2
255.06435	3.2
257.07999	3.1
285.07602	3.0
313.07016	3.0
331.08087	3.4
363.10748	22.7
363.17722	3.6
363.24377	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	363.1068
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
54.47879	1.3
57.07129	1.3
59.31660	1.3
60.08159	3.2
66.07217	1.4
71.01332	2.3
71.74239	1.5
79.05476	3.5
93.91855	1.4
95.04955	6.5
98.97575	8.8
107.04918	9.7
109.02894	1.7
116.98589	9.8
121.06464	12.7
123.04420	5.9
125.05981	2.5
133.02840	1.5
134.99623	3.9
135.04396	7.5
137.05968	9.2
146.03600	2.1
147.04370	2.9
149.05945	28.8
150.06606	2.5
151.03871	100.0
151.04868	3.7
153.05431	10.5
161.05984	1.7
163.03851	6.6
165.05447	3.5
166.06195	3.4
167.07010	11.3
169.04895	1.7
177.05469	7.5
178.06190	33.6
193.04945	2.0
195.06487	3.7
196.07314	13.0
211.05945	2.7
285.71863	1.9
298.94083	12.1
299.91553	1.9
345.09753	3.5
363.10397	14.5
363.17776	14.7
363.24298	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	363.2163
Annotation	11,17,21-Trihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
51.89621	1.0
63.96253	1.2
67.05504	1.1
69.03425	2.1
69.07055	1.5
81.07039	5.9
88.29556	1.2
93.07042	8.0
95.08609	2.9
97.06492	1.2
107.08592	7.9
109.06499	2.5
109.10166	2.5
119.08567	6.7
121.10088	2.2
133.10188	1.5
135.08057	19.1
135.11681	2.0
137.09619	6.8
141.09091	1.3
145.10120	5.0
145.20111	1.4
147.08040	11.9
149.09575	5.4
157.10214	1.7
159.11687	5.0
161.09595	5.9
161.13245	2.1
163.11185	1.7
169.10146	1.3
170.57243	1.2
171.11696	1.9
173.09636	2.9
175.11217	2.6
177.12729	34.4
183.11671	7.4
187.11229	2.7
189.12799	5.0
201.09032	1.3
201.12778	6.3
203.10640	1.6
215.14340	6.7
215.17964	2.1
223.14780	1.5
225.16377	8.6
227.14302	2.8
239.17920	7.1
241.60657	1.3
243.13850	1.6
243.17384	7.2
247.93930	1.4
257.18936	1.9
267.17508	12.0
285.18469	75.3
301.29364	13.5
313.17978	7.4
325.60220	1.3
331.19147	9.0
344.28119	1.5
345.20578	100.0
363.21222	7.6
363.24490	12.7
363.32861	15.8
365.94284	1.7
389.35193	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	363.2529
Annotation	Di-n-heptyl phthalate
Peak:m/z	Relative Intensity
54.43144	3.8
57.07067	100.0
66.88668	3.9
85.06532	58.6
95.08593	4.7
96.84367	3.2
107.08578	6.9
108.66528	3.7
146.08630	3.7
146.18463	3.5
235.20580	26.2
278.20920	3.6
279.19476	28.7
363.24588	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	364.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83678	0.3
53.99260	0.3
56.81269	0.3
56.89767	0.3
60.13999	0.3
66.06190	0.3
72.98435	0.2
92.42712	0.3
94.63170	0.3
100.16132	0.3
118.06517	2.2
130.02858	0.3
130.06476	1.5
141.49829	0.3
198.45723	0.3
219.09122	100.0
220.07529	0.4
243.09177	2.3
247.08601	85.4
296.36890	0.3
319.12192	1.3
321.12634	0.7
335.13495	0.4
336.14868	47.3
352.71582	0.3
364.14337	27.7
364.24518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	16.8
55.86671	2.3
57.07074	2.7
60.64911	2.8
61.40905	2.9
66.49804	2.7
67.05501	4.2
69.03418	15.4
70.06582	12.9
72.04510	28.8
73.02897	13.6
81.03396	16.8
85.02875	24.1
85.06513	5.4
86.09720	4.6
87.08052	3.2
90.05538	100.0
90.06092	4.9
90.75484	2.9
95.04948	6.1
97.02868	19.3
98.02390	21.0
99.04417	13.0
100.03984	5.4
103.07592	4.3
109.02856	50.3
113.05952	5.4
116.03445	40.9
124.07575	28.6
124.96214	3.5
127.03899	50.6
132.06558	14.0
142.08612	20.7
145.04944	13.5
157.87177	3.8
160.09621	13.4
166.08557	4.9
172.09740	3.2
174.11267	7.6
184.09671	41.7
187.05933	4.0
193.74406	3.4
199.05994	17.9
201.14557	3.0
202.10703	95.3
217.07063	7.7
220.11728	43.9
230.10172	3.3
234.09753	13.6
262.12787	13.1
285.93973	3.3
310.12720	5.1
326.74640	3.0
328.13852	53.4
346.14886	17.3
364.15955	81.8
364.20068	6.0
373.63583	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	364.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97137	0.6
57.07071	0.9
58.73405	0.7
69.07056	1.5
71.28329	0.6
81.07050	2.9
88.36219	0.7
93.07018	1.3
95.08561	3.7
105.07039	3.0
107.08576	3.2
109.06482	1.0
109.10133	0.9
119.08575	6.6
121.10137	4.1
123.11718	1.7
126.45507	0.8
131.08562	1.2
133.10106	4.7
135.08047	3.8
137.09581	0.8
145.10124	1.2
147.08060	4.1
147.10582	1.1
147.11630	6.9
157.10179	5.2
159.11662	1.4
161.13237	1.2
171.11688	3.6
173.09610	1.5
173.13159	1.0
175.11156	1.2
185.13246	3.2
191.10686	1.5
197.13289	1.7
199.11237	4.1
199.14789	9.1
200.15588	1.7
201.12637	1.1
213.12773	7.9
213.16335	3.7
215.14349	0.9
217.12198	0.8
217.15921	1.0
227.14238	1.3
227.17813	6.9
229.15778	1.0
231.17395	15.5
237.16342	1.6
245.18999	3.1
255.17415	19.6
257.18814	1.2
273.18442	28.0
283.16949	3.4
301.17947	95.7
319.19070	0.9
329.17383	1.4
342.26382	0.7
345.66742	0.8
347.18491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28745	1.9
69.41614	2.8
75.04461	3.3
81.07068	4.3
85.57967	2.6
87.64116	2.6
87.73450	3.1
93.07027	17.7
95.08614	5.1
97.06490	5.3
100.02470	2.6
109.10155	4.2
111.07991	3.7
119.08572	6.1
121.06487	18.4
125.09612	4.0
129.56976	2.8
137.09622	4.0
139.96587	2.7
147.08025	6.4
149.09598	6.6
161.09578	27.9
167.33949	3.1
169.10109	4.0
171.11737	3.4
175.11140	4.2
176.59447	3.3
185.09598	3.3
187.11198	4.3
192.39911	3.1
199.11253	5.6
211.11238	4.4
213.12724	13.0
225.12671	6.1
225.16293	3.6
226.05707	2.7
227.14273	15.6
239.14340	4.5
241.15816	12.6
255.17145	2.7
265.15775	5.9
267.17480	18.1
283.16855	16.8
285.18393	24.3
301.17902	25.5
303.19534	100.0
305.37115	2.7
329.17493	19.8
347.18494	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	364.3202
Annotation	Terminaline
Peak:m/z	Relative Intensity
52.70117	1.6
55.05490	3.0
57.07063	26.3
69.07040	2.2
71.08609	13.4
74.09303	3.9
74.09702	97.3
81.07038	8.0
83.08602	2.5
89.06039	2.9
92.17459	2.8
93.07020	3.0
94.55461	1.8
95.08590	2.4
99.08085	7.5
107.08541	4.1
109.06426	2.2
121.10135	2.7
133.10086	2.2
165.12695	10.0
205.84949	2.0
235.16861	2.3
266.24683	9.1
291.23062	4.7
348.55127	2.2
364.31992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
91.18610	0.5
100.43755	0.5
104.10693	1.1
104.81725	0.5
136.67319	0.6
184.06346	4.2
185.04176	14.3
203.05222	65.0
219.84375	0.5
310.48575	0.7
347.13727	0.6
365.10513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1779
Annotation	Malachite green
Peak:m/z	Relative Intensity
53.99651	1.4
57.03428	1.7
57.07070	1.6
69.29244	1.2
70.04057	8.6
79.05472	1.6
93.07033	1.6
95.04942	1.7
95.08584	2.1
105.07050	1.5
105.27578	1.3
109.10158	1.6
113.05976	2.1
119.08560	2.7
133.10074	1.9
143.08536	1.6
145.10089	1.7
147.11688	9.8
157.10036	1.7
159.11624	1.7
161.13251	1.6
169.10094	8.1
175.14775	1.6
183.11693	3.1
185.13240	7.4
203.08815	1.7
211.14764	16.9
233.09935	3.2
235.07767	1.7
245.13666	2.6
263.14566	3.3
267.17184	1.7
273.13058	25.3
277.12601	1.4
291.14035	13.9
291.19388	2.4
301.16190	3.0
311.14633	2.8
324.14578	6.3
329.15714	2.4
347.16864	8.3
365.17813	100.0
365.22931	11.8
365.27444	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	365.1951
Annotation	Gibberellin A74
Peak:m/z	Relative Intensity
51.69552	2.9
55.01847	3.0
67.05490	7.4
69.07062	3.4
71.52855	3.3
78.04598	2.8
81.07034	28.5
91.05459	4.9
93.07011	14.1
95.08582	15.8
97.06495	66.8
105.06995	18.4
107.08584	17.4
109.10133	4.2
111.04379	5.5
111.08054	5.0
113.05960	7.5
119.08557	16.3
121.06482	21.2
121.10152	3.9
123.08038	17.5
125.05952	12.4
125.09637	4.7
129.06984	4.8
131.08516	19.5
133.10101	15.1
135.08072	4.4
141.06984	18.2
143.08543	37.8
145.10083	47.8
147.08037	18.2
147.11700	4.1
155.08502	36.3
157.10088	98.0
159.08014	13.4
159.11595	24.5
161.09544	30.2
161.13240	3.5
167.08513	5.5
169.10068	41.8
171.08002	16.0
171.11684	47.4
173.09547	29.6
175.11197	6.6
179.08495	6.5
181.10045	33.0
183.11646	50.8
185.09579	18.1
185.13208	7.1
187.11186	18.6
193.10109	4.8
195.11684	36.0
197.09589	12.2
197.11609	3.1
197.13217	24.3
199.11078	25.5
199.14703	3.5
201.12704	7.0
207.11681	19.9
209.09662	6.5
209.13228	12.6
211.11172	21.4
211.14801	16.2
213.12700	19.5
213.16333	6.0
215.14252	3.7
217.12181	7.2
221.13284	6.1
223.11281	5.3
223.14760	24.8
225.12692	31.1
225.16353	16.8
227.14276	7.1
235.14671	4.0
237.12668	11.9
237.16270	12.7
239.14256	30.3
239.17870	4.8
241.15793	29.4
243.17413	24.2
247.14627	4.0
251.14359	7.4
253.12000	5.9
253.15898	7.9
255.13737	7.8
255.17346	43.7
257.15372	7.5
259.16864	6.8
265.15894	21.2
267.13800	18.0
267.17383	91.3
267.20074	6.1
269.15283	63.2
271.16690	5.0
273.18466	6.0
275.16388	5.6
281.15396	12.1
283.13818	5.7
283.16925	33.7
285.15100	5.4
285.18405	100.0
287.16391	61.8
291.19604	19.0
293.15259	14.9
299.16351	26.3
301.17801	5.0
303.19458	61.1
311.16367	54.0
317.17419	16.8
321.20377	3.8
329.17401	80.7
335.18488	23.9
347.18341	41.4
365.19464	55.6
389.13107	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05499	7.1
57.03436	31.3
57.07070	3.3
67.05494	31.1
69.07060	5.8
71.04974	4.3
79.05470	13.9
81.07037	15.7
82.72154	2.8
83.08615	5.1
85.06539	34.5
86.54344	3.1
91.05462	13.0
93.07023	15.6
95.04956	63.1
95.08579	11.4
99.08064	3.1
99.98043	3.0
105.07021	16.4
107.04939	5.9
107.08575	20.1
109.06490	43.0
113.05984	100.0
117.07013	10.8
119.08559	16.0
121.10110	5.0
123.08088	4.4
131.08566	13.5
133.10124	6.2
135.08057	24.7
135.11659	4.7
143.08453	2.6
145.10080	11.0
148.99506	2.9
149.09552	4.1
159.11638	3.6
163.11159	3.8
251.58417	3.2
270.51257	2.9
273.18445	18.2
291.19559	46.9
302.74649	3.7
365.18970	4.4
365.23193	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	365.268
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
57.07064	4.0
67.05499	2.1
69.07044	2.0
81.07032	2.9
85.06576	2.1
87.41506	2.3
93.07018	3.5
95.08572	3.4
98.97580	7.8
107.08566	7.4
111.04427	3.3
116.98561	2.7
121.10107	2.1
134.99586	3.1
135.07967	3.1
135.11650	2.3
137.06009	2.1
176.07756	1.9
178.20541	1.6
300.93790	3.4
305.24606	2.7
323.99255	2.4
347.25797	46.0
365.13513	1.8
365.26849	100.0
369.84543	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	365.2681
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
51.47532	1.4
55.01865	1.7
55.05494	8.8
57.07072	100.0
67.05489	13.5
69.07054	32.4
70.14973	1.8
71.04977	2.8
71.08624	1.7
75.62350	1.5
79.05467	9.1
81.07053	20.1
83.04948	2.9
83.08620	12.8
85.06529	59.2
91.05441	2.6
93.07011	16.8
95.08588	25.1
96.85583	2.0
97.06509	15.1
99.12450	1.6
105.07006	2.5
105.25385	1.8
107.08581	22.3
109.06496	20.5
109.10138	10.6
111.08076	3.7
111.11729	2.2
119.08559	3.4
121.10107	11.5
123.08047	4.2
127.91798	1.7
133.10109	3.7
135.08049	21.2
135.11658	25.6
145.10063	2.1
149.09657	2.5
149.13155	1.8
153.12744	6.4
163.11165	3.3
165.12740	9.0
167.14305	2.7
173.89839	2.1
177.12717	17.4
217.14313	11.8
259.78891	1.8
263.19989	42.8
279.19403	3.8
291.19492	2.2
301.85715	1.8
347.25726	77.8
365.22891	4.1
365.26837	67.1
379.00430	1.8
382.16974	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2682
Annotation	Ciprostene
Peak:m/z	Relative Intensity
53.47412	0.2
55.05503	0.2
57.07072	10.8
69.07050	0.8
71.13287	0.2
71.50867	0.2
81.07037	0.5
85.06527	7.2
85.07042	0.2
88.42790	0.2
89.55231	0.2
93.07033	0.4
94.69136	0.2
95.08574	1.1
97.10100	0.2
101.81676	0.2
103.62868	0.2
107.08558	0.4
108.83779	0.2
109.06491	5.4
109.10136	0.4
111.04406	0.4
111.08012	0.3
121.10118	0.4
123.08024	1.0
128.29237	0.2
151.07516	0.9
174.30023	0.2
193.12201	0.5
263.19998	100.0
281.21140	0.2
324.28937	1.0
347.25699	2.0
365.22238	0.4
365.26794	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	365.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.5
57.05804	0.9
57.07082	1.0
58.06607	1.3
59.06106	4.3
60.04530	1.4
67.05497	10.6
69.07062	9.0
70.06586	7.1
70.51424	0.9
72.08142	5.2
73.10420	0.9
79.05487	3.8
81.07063	14.9
83.08619	3.8
85.07664	100.0
86.08430	4.1
86.09699	1.1
87.09229	1.7
90.13681	0.9
91.05433	1.3
93.07027	8.0
95.06088	1.2
95.08595	13.9
98.09711	1.1
100.11260	1.4
105.07028	2.0
107.08578	7.7
108.08101	2.0
109.07611	2.4
109.10159	5.1
113.60897	1.1
119.08588	2.4
121.10130	5.6
122.09675	1.0
123.11707	1.5
126.12688	1.2
129.06921	1.3
131.08647	1.0
133.10085	1.8
135.11710	1.8
138.12782	1.3
140.14294	3.2
145.10117	1.5
147.09224	1.6
149.13248	1.3
161.13264	1.3
164.14369	1.3
177.93808	1.0
180.17531	1.0
193.35939	1.1
194.15376	1.5
212.16475	1.6
274.90909	1.0
288.23517	1.8
294.24271	7.9
300.98709	1.0
302.26752	1.1
304.26279	1.3
305.25610	1.3
320.25952	1.4
322.27359	6.2
323.26935	12.8
329.25903	1.6
330.24271	2.0
347.26877	14.8
348.28915	5.8
350.66528	1.1
365.27939	94.5
365.31735	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	366.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87569	0.2
78.95204	1.1
94.19372	0.2
112.71576	0.2
129.65666	0.2
162.15144	0.2
174.10612	0.2
182.99719	0.4
201.00775	0.3
219.01997	4.0
222.97340	0.4
234.99881	0.5
238.97261	0.2
255.95584	0.3
256.98285	0.9
258.99948	3.3
261.03076	2.9
264.98535	2.9
277.00931	2.8
282.96637	4.6
282.99911	78.1
285.00095	0.3
301.00970	100.0
302.01669	0.3
303.01260	0.4
319.01978	5.8
323.94440	0.4
324.02515	1.1
324.94385	0.7
325.00989	9.3
334.70358	0.2
341.95648	0.9
342.95163	1.4
343.02045	49.6
357.03400	0.3
358.83899	0.3
361.03055	13.3
366.03601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62399	1.3
59.26442	1.2
92.24895	1.4
98.97558	2.3
116.98572	2.2
125.01509	2.3
128.04535	100.0
134.99594	1.4
136.96191	1.3
183.44882	1.3
190.17009	1.4
245.41820	1.4
301.94058	1.7
325.13943	1.7
362.50803	1.3
366.15674	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	366.202
Annotation	Leu Phe Ser
Peak:m/z	Relative Intensity
53.18571	0.3
55.34378	0.4
59.73725	0.4
62.60293	0.4
66.25845	0.4
69.07051	4.1
77.92591	0.4
84.04459	0.5
85.02879	0.7
86.09689	100.0
106.05035	0.5
117.10364	0.5
120.08077	91.5
146.06032	2.2
174.05479	0.6
218.02670	0.5
233.16422	20.7
235.10736	2.2
253.11771	7.6
261.15942	26.6
303.34415	0.5
348.19061	5.5
366.12799	0.6
366.19922	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	366.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69369	1.6
55.05487	1.7
69.07043	2.1
80.33002	1.8
93.07012	3.6
93.97714	1.9
105.06995	1.9
116.76540	2.3
121.10035	2.7
131.08548	2.0
135.11574	2.3
145.10115	7.4
147.08067	3.9
152.53851	1.9
169.10031	4.5
173.09619	8.9
179.06963	4.5
183.11786	2.5
189.12714	3.3
191.10602	16.7
197.13239	3.3
201.12741	4.7
202.34067	2.1
205.08542	3.8
207.13988	2.1
209.11694	3.8
215.14259	28.5
219.10184	4.2
233.11668	2.3
237.11183	3.3
243.13716	3.6
243.17351	20.5
243.19498	2.9
257.18991	2.1
261.14868	18.0
267.17365	2.7
271.16785	4.6
275.16422	2.6
280.74606	2.4
285.18408	24.6
303.19489	100.0
313.17828	3.7
320.50250	2.0
326.03003	2.0
331.18887	20.6
349.20007	82.4
366.23102	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	366.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79971	0.8
55.05492	1.0
57.86514	0.8
59.10236	0.8
67.05489	1.8
69.07066	1.2
79.05503	1.5
81.07061	10.6
88.37304	0.8
93.07027	5.5
93.54441	0.9
95.08579	7.6
97.06517	6.2
97.42702	0.9
105.07024	1.3
107.08591	7.7
109.10155	8.9
111.08060	5.6
111.11733	1.2
121.06477	5.0
121.10136	11.8
123.08043	4.2
125.09621	1.9
131.08589	1.7
133.10094	4.7
135.11690	2.2
139.11182	5.9
143.08566	1.8
145.10107	4.9
147.08012	8.4
147.11707	1.4
149.09659	8.3
155.08566	1.5
157.10120	3.9
159.08020	1.1
159.11650	3.6
161.09584	16.0
163.11165	13.3
169.10098	6.2
171.11658	5.4
173.09599	6.6
173.13304	1.9
175.11192	3.9
183.11690	4.5
185.09653	4.3
185.13252	8.8
187.11174	5.6
189.12718	1.7
195.11697	1.6
197.09781	1.0
197.13219	10.9
199.11153	3.6
201.12871	3.4
207.11719	1.3
209.13261	1.9
211.11246	2.0
213.12770	6.9
215.14330	4.0
225.12744	1.8
225.16386	1.6
227.14276	4.6
227.17967	1.2
229.15851	2.0
239.14360	1.8
239.17978	4.3
241.15868	5.6
243.17462	5.0
257.15231	1.7
257.19052	9.0
267.17462	10.9
269.19016	14.8
271.16946	2.0
283.16867	4.1
285.18512	11.4
287.20035	52.9
289.18030	1.8
295.16849	4.0
303.19650	8.2
305.21103	65.7
313.18024	4.0
331.18994	7.7
349.20074	100.0
355.52795	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	366.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
63.46076	1.3
69.15252	1.4
74.09702	1.9
83.04976	8.5
95.04861	1.7
95.08598	1.7
97.06507	3.2
105.07046	2.0
107.08587	3.4
109.06479	15.1
109.10143	6.6
119.08582	3.4
121.06508	3.6
121.10133	7.9
123.08029	3.4
133.10081	6.5
135.08006	6.1
135.11702	2.6
145.10098	2.6
147.08052	14.3
147.11623	2.6
149.09592	9.3
149.13261	3.9
151.07509	3.6
159.08018	2.9
159.11691	6.6
161.09592	6.2
165.09117	2.3
171.11682	6.6
173.13235	2.3
175.11227	2.2
177.12679	1.9
185.09605	2.7
187.11208	2.1
197.09589	3.5
199.11076	12.2
211.11052	2.9
213.12672	3.3
217.12314	3.8
223.14827	2.0
225.12685	2.4
226.84483	2.5
227.14308	2.3
229.12126	1.8
237.16319	3.0
237.67896	1.6
238.13475	3.3
238.58807	1.7
241.15869	19.3
243.17355	2.7
249.16362	8.6
255.17436	29.9
257.19061	6.3
267.14359	3.2
267.17389	72.4
269.15506	2.7
269.18951	7.6
277.15814	3.1
283.16879	7.5
285.18402	31.7
287.19910	2.8
295.16809	33.1
301.17905	3.6
303.19510	7.4
313.17923	100.0
331.18997	66.9
331.22723	3.6
349.20038	56.5
366.18359	2.8
366.22766	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47902	1.1
61.83565	1.1
67.05502	6.4
69.03415	2.2
69.29829	1.0
70.09949	1.0
81.07056	5.8
86.06053	100.0
87.04449	14.1
95.08592	4.9
104.07090	19.4
109.10181	1.1
113.18893	1.2
130.25360	1.5
181.21359	1.2
240.83736	1.2
355.74402	1.4
366.30060	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	367.117
Annotation	Candidusin C
Peak:m/z	Relative Intensity
50.83585	2.7
54.32352	2.3
55.01873	5.0
55.05506	7.1
57.03436	4.2
58.11834	2.3
67.05488	13.1
69.07056	6.2
71.08628	5.4
72.08135	5.3
74.61666	2.6
79.05492	6.6
81.07051	20.8
83.04990	5.8
83.08603	5.6
84.80643	2.5
85.02866	2.8
85.56317	2.7
91.05447	6.6
92.16875	5.2
93.07039	13.2
95.04942	16.2
95.08587	22.0
97.06516	4.6
99.08116	4.1
105.07024	17.9
107.04971	3.6
107.08583	17.1
109.10151	10.5
111.04452	7.2
111.08081	11.4
119.08566	6.4
121.06456	3.3
121.10116	5.3
123.08031	5.0
131.08572	5.0
133.06474	4.1
133.10085	6.5
135.07970	3.7
145.10165	4.0
147.04384	6.5
147.11711	5.3
149.09544	5.6
151.11116	3.9
159.11655	6.0
161.09622	5.1
177.12738	6.3
203.08492	3.0
218.07202	12.0
219.07993	6.1
233.09576	3.6
234.06718	3.9
236.08299	5.1
246.06717	6.7
247.07568	5.4
261.09061	38.5
263.07025	5.1
264.07697	12.3
275.06860	3.6
275.19962	13.6
277.08588	7.3
278.09317	12.2
289.08536	36.6
292.07309	15.5
293.08017	3.8
293.21115	17.6
305.08414	3.1
306.08844	3.3
307.09598	25.0
308.10251	5.4
317.08020	6.5
320.06680	4.3
335.09094	100.0
349.06729	3.6
349.23740	17.0
367.11676	77.4
367.24570	52.8
367.32986	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	367.2109
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
54.46164	0.9
59.94947	0.9
68.37663	0.9
69.07029	1.4
78.48035	1.1
81.07027	4.8
83.79961	1.1
88.81654	1.0
91.05435	1.4
93.07035	5.6
95.08578	5.1
95.39426	1.2
97.06514	1.3
100.99917	1.3
105.07027	4.5
107.08584	3.9
107.80203	1.2
109.06494	1.9
109.10160	2.5
111.08021	1.8
119.08567	4.9
121.06538	1.3
121.10123	5.6
123.08068	1.7
131.08565	1.5
133.06538	1.6
133.10104	6.9
135.08003	2.6
137.05980	7.0
137.09612	2.0
143.08397	2.0
145.10071	4.0
147.08017	1.7
147.11682	2.1
149.09613	4.5
151.07500	2.2
151.11115	1.6
157.10046	2.1
157.12071	1.3
159.11642	5.3
161.09563	1.8
165.09102	1.9
169.10089	2.8
171.11664	5.2
173.09636	1.4
173.13260	2.8
175.11082	1.5
183.11702	4.5
185.09564	2.7
185.13269	1.9
185.88882	1.1
187.11174	4.5
195.11781	1.5
197.13237	2.8
199.14801	2.0
201.12743	2.6
203.10616	1.7
207.11652	1.6
208.18396	1.2
209.13290	1.9
211.11086	1.9
211.14810	2.1
212.11975	1.1
213.12715	6.7
215.14273	2.5
215.18057	1.6
218.05898	1.3
225.12753	7.8
225.16310	5.8
227.14249	6.6
229.12296	2.5
237.16508	1.3
239.14227	1.5
239.17946	2.6
241.15855	9.1
243.17371	11.4
249.16371	1.9
255.17369	8.6
257.18900	5.1
259.16925	2.3
267.17368	14.8
273.18436	5.9
285.18399	19.7
303.16364	1.3
303.19519	33.0
321.20563	23.2
331.19009	4.7
349.20013	100.0
357.96500	1.2
367.08160	1.2
367.21109	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	367.2112
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
51.92794	1.5
52.57538	1.7
52.78275	1.5
59.04964	2.0
65.82746	1.7
67.05503	2.2
69.07073	2.9
71.04976	6.5
81.07052	4.1
81.33527	1.6
83.04942	2.2
93.07042	13.2
95.04935	2.6
95.08613	7.1
97.06516	3.1
99.04439	15.7
101.06052	1.9
101.40270	1.8
105.07024	2.2
106.38561	1.8
107.04932	2.1
107.08583	10.4
108.11407	1.6
109.06490	7.8
109.10159	3.9
111.08102	1.8
119.08579	10.8
121.06472	2.2
121.10136	3.9
123.08053	4.1
125.06004	1.8
131.08554	3.1
133.02806	1.9
133.10106	3.1
133.95465	1.8
135.08037	19.5
137.06000	10.3
137.09627	3.2
143.08549	4.0
145.10130	7.2
147.08026	6.9
147.11691	3.3
149.09631	2.6
157.10124	7.0
159.11697	7.1
161.09608	7.8
161.13284	3.7
163.11180	3.4
165.09070	11.5
171.11646	9.1
173.13239	2.1
175.11131	3.6
177.12732	22.3
179.10625	1.7
183.10233	2.4
183.11682	6.1
185.13196	2.3
187.11165	2.5
187.14674	1.7
189.09218	3.0
197.13316	2.0
199.14870	2.4
201.09044	2.1
201.12749	3.0
203.10641	2.4
215.14331	2.2
224.11942	1.8
225.12798	1.9
225.16348	3.2
233.15388	2.4
243.17432	8.0
243.73529	2.0
247.16882	4.0
257.18967	2.9
259.16803	2.4
261.18619	3.2
267.17361	6.7
271.16858	2.8
285.18472	12.6
289.18045	6.9
303.19537	36.9
321.20419	2.6
331.18906	2.9
349.20059	100.0
367.15555	10.5
367.21014	38.8
367.25201	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2109
Annotation	Sinulariolone
Peak:m/z	Relative Intensity
56.31126	0.7
57.78513	0.7
67.05474	1.3
69.03424	0.8
69.07046	1.7
71.01326	3.6
71.04961	1.2
79.05434	1.3
81.07034	3.5
83.04960	4.1
83.08604	1.8
84.17686	0.8
85.06503	1.0
93.07024	4.8
95.04935	1.5
95.08577	4.1
97.06499	1.6
97.16255	0.7
99.04436	0.8
99.08088	1.3
105.07015	5.5
107.08601	5.9
109.06512	1.5
109.10137	10.5
119.08594	6.1
120.08080	5.1
121.06467	3.7
121.10117	11.6
123.08047	2.0
125.05988	0.8
125.09633	1.2
129.06888	0.9
131.08534	3.5
133.10103	5.6
135.08014	5.2
135.11655	3.9
137.09570	1.2
137.73125	0.9
139.11238	0.9
143.08536	2.0
145.06419	1.3
145.10089	5.9
145.57846	0.8
147.07994	3.6
147.11676	3.6
149.09589	4.4
151.07483	1.6
151.11198	1.3
155.08577	1.1
157.10074	8.0
159.11662	6.4
161.09561	4.4
161.13239	10.4
163.03911	1.8
163.07491	6.1
163.11177	1.2
165.09076	3.5
166.08554	1.4
169.10071	3.8
171.11655	5.3
173.09605	2.0
173.13136	1.8
175.11232	1.0
181.10063	1.0
183.11633	3.6
185.13235	2.1
187.11188	1.5
187.14835	4.0
189.09128	1.6
189.16371	1.9
195.94557	0.9
197.13228	1.3
199.11180	1.4
199.14778	1.0
201.12589	2.0
203.10672	1.4
209.13237	1.2
211.11099	1.0
211.14868	3.0
213.12756	1.1
215.14357	1.1
223.14854	1.4
225.12776	1.1
225.16321	5.8
226.17220	1.6
227.14294	0.9
229.12257	1.6
232.18098	1.1
239.17879	1.1
243.17500	3.2
245.15254	1.3
247.13185	0.9
253.15858	2.0
259.16733	1.4
267.17346	3.6
271.16852	1.7
285.18384	7.4
289.17938	1.5
289.26544	0.9
295.16885	1.7
303.19504	11.8
313.17828	1.9
321.20468	8.2
331.19016	6.8
349.20035	20.1
367.21072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2468
Annotation	Betaenone A
Peak:m/z	Relative Intensity
55.05504	4.8
57.03427	3.9
60.50735	1.8
67.05510	16.8
69.07070	8.3
69.92442	1.7
79.05475	13.6
81.07067	15.7
83.08609	4.0
91.05482	8.5
93.07043	14.8
95.04967	3.5
95.08586	15.7
97.06493	2.1
97.10143	4.4
101.92009	1.7
102.54896	2.0
105.07017	9.2
107.04945	11.6
107.08578	15.1
109.06507	2.5
109.10127	8.3
111.04398	4.9
111.08067	3.6
112.83521	2.2
118.58578	2.0
119.08553	8.3
121.06483	2.9
121.10124	10.2
123.08015	3.2
125.09604	3.6
131.08563	3.8
133.10121	4.3
145.10132	7.9
147.04398	3.4
147.11635	3.6
163.11139	4.1
173.13351	2.5
177.12823	2.7
219.08015	2.7
236.08179	2.5
243.17566	2.1
249.09178	2.4
261.09058	14.1
264.07767	8.0
265.08508	2.0
275.20160	21.0
277.08621	2.7
278.09476	4.8
289.08444	14.7
292.07242	3.1
293.21133	3.8
307.09497	7.6
308.10480	3.9
317.08026	3.9
335.09131	39.1
349.23657	15.5
367.11652	30.7
367.20868	3.9
367.24557	100.0
387.49530	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	367.2476
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
55.01852	4.0
55.05510	18.2
57.03415	10.0
60.06660	1.3
67.05497	19.2
69.07058	22.1
71.08274	1.9
71.08627	35.8
72.08162	13.7
79.05499	13.9
81.07053	21.7
83.04959	6.0
83.08618	12.4
91.05470	3.1
93.07028	15.7
95.04957	6.9
95.08591	14.5
97.06531	2.4
97.10158	21.0
99.08071	16.8
105.07010	6.5
107.04912	3.0
107.08580	14.2
109.06479	2.2
109.10155	7.5
119.08583	3.9
121.10142	7.4
123.08028	1.9
125.09604	12.4
127.11216	1.6
133.10136	2.1
135.08038	2.6
135.11696	6.8
137.03432	1.8
145.10077	3.1
149.13255	3.1
159.11667	1.7
167.10689	2.4
177.54251	1.6
189.11185	2.3
226.05405	2.0
230.87465	1.7
247.20335	2.5
275.20078	15.6
293.21085	87.8
310.10352	2.0
349.32224	12.8
367.24747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.7
54.74152	0.9
55.01872	2.2
55.05257	1.5
55.05510	26.8
57.03440	11.6
57.07063	1.1
67.05179	1.7
67.05508	28.6
69.03420	6.6
69.07053	12.6
70.06577	6.5
71.04996	1.3
71.08627	51.1
72.08147	44.9
79.05499	20.3
81.03431	5.1
81.06597	1.3
81.07055	32.0
83.04962	7.0
83.08612	13.2
85.06541	1.4
89.10773	1.0
91.05470	9.3
93.07038	19.8
95.04957	4.8
95.08604	15.4
97.06510	1.7
97.10163	36.9
99.08081	22.2
105.07047	7.5
107.04924	4.4
107.08603	18.7
109.06508	1.7
109.10149	15.2
111.08094	2.3
116.87327	1.1
117.07013	6.8
119.08585	4.9
121.06494	1.6
121.10117	7.3
123.08011	1.3
123.11704	2.2
125.09621	26.8
127.62489	1.0
131.08575	1.9
133.10115	7.2
135.08076	4.1
135.11716	2.2
137.09515	1.1
139.11162	5.6
145.10068	4.9
147.11702	1.7
149.13280	1.9
151.11156	4.5
151.14659	1.0
159.11705	3.9
165.12753	4.5
177.12767	2.5
181.56001	1.1
189.11174	9.0
275.20020	13.6
293.21091	95.6
332.29495	9.0
349.32117	49.0
367.24783	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	367.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45546	0.6
52.70716	0.6
59.95144	0.7
60.04514	1.4
63.27421	0.7
70.62769	0.7
85.07660	100.0
95.08632	1.2
109.10135	1.2
127.25215	0.9
128.76480	0.9
142.15935	3.8
154.12274	0.9
172.13344	1.4
212.49297	0.7
262.25308	1.0
325.28519	4.3
367.29410	11.5
367.33044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01830	0.3
57.03411	1.8
61.02909	0.5
69.03072	0.6
69.03416	11.5
71.04962	2.6
73.01643	0.3
73.02882	2.6
81.03403	6.4
85.02892	5.9
87.04438	0.9
97.02876	4.8
99.04445	3.5
109.02837	3.6
109.59567	0.4
110.07158	0.4
116.99359	0.4
120.08068	0.7
127.03884	5.2
132.04448	3.4
134.06009	1.6
144.04417	1.6
145.05013	0.6
162.05463	100.0
164.03375	12.5
176.03476	0.4
178.05043	0.8
187.05954	2.1
188.03387	69.1
205.07106	0.6
206.04437	16.3
222.86577	0.4
224.05547	5.7
236.02965	0.5
330.42484	0.4
332.07605	2.0
334.10849	0.4
350.08636	9.1
354.05148	0.4
368.09760	0.8
373.26169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
54.07857	0.3
55.01857	0.4
57.03424	1.6
61.02911	0.5
69.03416	13.5
71.04976	3.4
73.02905	2.2
81.03405	7.1
81.39750	0.4
85.02886	4.8
87.04440	0.7
97.02872	5.5
99.04443	4.4
109.02866	3.8
127.03883	6.0
132.04420	3.7
132.51447	0.3
134.06003	1.2
136.03912	0.3
144.04430	0.5
160.03880	0.6
160.37459	0.3
162.05461	100.0
164.03383	12.4
169.04874	0.4
178.04942	1.8
185.40010	0.4
187.05983	2.1
188.03384	72.5
205.07089	0.5
206.04456	16.6
224.05408	5.8
332.07559	2.2
350.08612	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	368.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01865	0.3
57.03413	1.5
61.02915	0.3
62.49842	0.3
67.28100	0.3
69.03423	9.8
71.04974	2.4
73.02885	1.3
81.03411	9.9
84.08166	0.3
85.02399	0.6
85.02890	9.7
86.09685	1.8
87.04438	0.5
90.05540	0.4
97.02885	5.7
99.04442	3.9
101.02353	0.6
109.02859	7.4
110.07140	0.6
116.04978	0.3
125.26157	0.3
126.18978	0.4
127.03898	10.9
132.04405	2.7
134.05977	0.5
136.07561	0.4
144.04424	1.4
145.04933	0.6
156.07603	1.2
160.03871	0.5
160.13246	0.5
162.05470	100.0
164.03383	14.7
178.04933	1.7
187.05974	4.0
188.03397	59.6
190.04976	0.4
205.07050	3.1
206.04456	14.3
206.08394	0.5
206.10167	0.8
206.13817	0.7
224.05498	5.1
228.06808	0.4
248.05418	0.3
332.07620	1.4
350.08539	7.8
368.09683	1.2
368.14764	0.5
368.18985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2787
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
59.09703	1.2
60.04234	2.4
60.04513	50.8
65.59545	1.3
67.05486	10.2
69.07033	2.2
79.05475	2.2
81.07045	13.9
83.08584	2.2
88.03961	18.9
93.07037	3.6
95.08591	12.6
96.63522	1.6
103.39976	1.5
106.04999	100.0
107.08588	3.3
109.10114	6.8
121.10122	1.9
133.10062	2.2
137.13242	1.9
146.43872	1.4
172.44035	1.5
189.05479	1.6
233.45497	1.6
245.45869	1.7
263.23764	2.1
368.27823	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	368.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69979	0.9
56.21620	1.0
56.42120	1.0
57.07078	1.2
60.32766	1.0
60.53348	1.0
69.07041	6.3
75.77778	1.1
79.05474	1.2
81.07028	2.7
83.08608	4.8
86.06052	100.0
87.04424	9.3
93.07060	1.4
95.08582	2.5
97.10189	1.3
104.07087	22.0
110.59592	1.3
119.68421	1.1
243.76257	1.4
279.80255	1.3
346.14514	1.2
368.27628	2.3
368.31589	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	369.1171
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
56.72773	0.3
57.03170	0.4
57.03432	7.0
61.02916	1.2
65.03930	0.4
69.03413	3.0
71.01337	6.7
73.02522	0.4
73.02904	10.0
75.04465	1.3
81.03403	0.4
83.01330	0.6
83.04982	0.3
85.02888	18.1
89.02421	0.3
91.05462	100.0
95.01294	2.8
97.02882	5.8
99.00806	2.9
99.04404	2.2
101.02374	3.6
103.03918	3.2
105.45842	0.3
113.02339	12.1
117.01805	0.5
119.04931	1.6
119.49004	0.3
123.00724	0.5
127.09230	0.3
131.03377	3.6
137.05945	3.4
141.01807	10.8
145.04933	1.3
147.04393	1.7
159.02895	1.7
159.06506	0.5
163.05762	0.4
169.04947	0.7
175.03867	6.5
179.74422	0.3
187.06032	0.7
189.03709	0.4
191.31268	0.3
193.08568	18.2
197.04478	0.5
207.06456	11.0
215.05475	2.9
217.79166	0.3
221.07959	0.4
233.06459	0.4
235.09610	3.2
301.14853	0.3
305.10092	0.5
323.11386	0.4
333.09726	1.2
351.10617	1.9
369.11752	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	369.1178
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02359	0.1
57.73126	0.1
81.92511	0.2
85.02892	0.2
91.05470	2.1
95.68174	0.1
96.12886	0.1
97.02876	0.8
99.76775	0.1
105.03436	0.2
119.04936	8.9
147.04402	13.6
157.03947	0.9
175.03891	55.3
175.70416	0.2
179.07036	0.4
192.04300	0.3
207.06514	100.0
225.07613	0.3
289.34552	0.2
369.11786	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	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.64857	0.2
52.16432	0.2
57.02692	0.2
66.90265	0.2
73.32628	0.2
79.55610	0.2
83.04978	1.1
91.05457	2.4
97.02876	1.2
119.04923	10.9
147.04393	13.1
157.03946	1.0
162.05518	0.3
175.03879	60.6
179.06984	0.5
201.13370	0.2
207.06499	100.0
225.07446	1.0
266.26611	0.3
347.64764	0.2
369.11746	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	369.133
Annotation	Curcumin
Peak:m/z	Relative Intensity
55.01871	8.7
55.02083	1.0
57.03414	1.0
58.60687	0.8
67.05504	1.0
79.05492	2.2
81.03408	1.6
81.07082	1.8
90.99748	1.0
91.05481	13.7
92.17322	1.1
93.07036	20.2
95.04953	4.5
95.08564	1.3
97.06532	1.3
103.05453	20.5
104.06261	1.7
105.07014	2.4
105.47251	1.0
107.04927	2.4
107.08547	1.4
115.05459	3.8
116.07628	1.0
117.06995	1.8
118.04156	1.8
119.04937	7.3
119.08508	1.3
121.06496	28.9
123.08050	1.2
130.04179	1.4
131.04918	44.9
132.05698	53.9
133.06424	2.0
134.03603	1.6
137.05956	1.6
145.06459	2.4
147.04399	18.2
149.04854	1.5
149.05956	24.1
159.05505	1.3
160.05183	18.7
161.05965	6.2
163.07513	1.6
171.27887	1.0
175.03928	11.6
176.04665	4.3
177.04253	1.0
177.05438	70.3
179.07005	74.4
187.07539	2.2
191.07028	11.5
192.07780	24.4
207.06499	77.8
215.06976	2.5
231.07948	1.4
236.08525	1.3
249.08971	2.2
291.10107	5.4
305.08084	1.6
307.06238	1.0
309.11145	6.8
337.10654	78.2
338.11331	1.2
339.08630	1.2
369.13284	100.0
369.22794	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	369.1327
Annotation	8-(1,1-DMA)kaempferide
Peak:m/z	Relative Intensity
50.09780	1.1
50.69546	1.4
54.37175	1.3
55.01854	8.6
55.05502	11.6
57.03431	3.5
57.07059	1.9
66.36216	1.1
67.05495	40.9
69.03424	2.5
69.07053	11.9
71.04969	1.7
71.08620	18.4
71.82613	1.4
73.53590	1.1
76.87670	1.3
79.05481	22.1
81.03412	3.2
81.07046	28.6
83.04957	2.7
83.08595	9.6
84.71278	1.2
87.04471	1.3
91.05470	10.2
93.07031	22.7
95.04921	8.3
95.08600	19.6
97.06495	5.8
97.10136	13.7
99.08070	7.8
103.05446	1.5
105.07029	11.3
107.04929	13.3
107.08576	21.9
109.06460	1.4
109.10136	25.2
111.08043	5.7
117.06946	1.6
119.04938	2.0
119.08570	12.5
121.06458	5.3
121.10097	8.8
123.11692	1.9
123.86506	1.3
125.09608	14.6
131.04922	14.1
131.08551	2.0
132.05635	3.3
133.10100	10.2
135.08046	1.9
135.11641	8.2
137.05952	3.4
137.09599	1.8
141.06831	1.7
141.12721	2.2
143.08531	1.8
145.10104	2.3
147.04349	6.2
147.11646	7.4
149.05954	1.8
149.13213	5.3
151.11157	13.4
157.10056	2.2
159.11624	2.4
161.05840	1.8
161.13266	2.4
163.11078	2.7
165.12639	2.6
167.07011	16.4
173.11671	7.3
173.13158	1.8
176.04720	1.5
177.05432	9.3
177.12753	2.4
179.06880	1.6
179.14177	1.6
180.04163	2.0
187.07452	2.4
189.11174	8.8
191.06972	16.2
192.07779	7.2
195.06506	17.3
199.14771	1.7
203.08533	2.2
206.07159	2.5
207.06439	5.5
215.06941	3.3
217.06544	2.1
219.07951	2.9
220.08740	1.8
221.09641	7.0
227.12709	9.6
229.14352	1.9
231.07985	9.9
234.06689	7.6
245.13809	6.4
245.16106	1.4
247.07469	3.1
248.08234	6.6
249.09053	18.3
251.06987	2.4
258.06567	1.7
259.07416	9.0
259.20471	5.4
261.05228	1.7
262.06262	6.1
263.06772	1.6
263.10471	1.8
264.07803	1.9
265.08490	3.3
266.09348	1.7
275.06897	2.1
276.07748	9.9
277.08527	19.4
277.21512	30.0
279.06458	2.7
287.06940	9.6
289.08841	1.6
291.06854	1.7
291.10022	7.3
293.07990	3.0
294.08694	6.9
295.09592	2.6
304.07227	6.1
305.08014	37.7
306.08731	3.4
307.06058	2.1
307.09534	1.9
309.11157	10.7
311.09351	1.7
319.09561	12.6
321.07626	2.2
322.08282	9.5
323.08990	2.3
336.09796	2.1
337.10605	60.5
339.08423	2.7
351.12234	6.3
351.25253	55.1
369.13214	100.0
369.26260	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	369.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16370	2.7
56.72989	2.4
58.40784	2.7
58.80790	2.8
65.03928	12.2
68.84019	2.7
79.05477	3.6
81.03400	13.9
85.02918	5.9
91.05469	6.3
93.03349	3.7
95.08582	4.3
105.06975	3.9
109.02829	6.6
109.10199	4.0
110.03652	6.9
111.04411	18.3
119.04922	24.0
119.08535	3.2
123.04339	3.4
125.05967	17.7
133.09995	3.4
137.05962	3.5
147.04404	57.1
153.05444	48.2
175.03888	87.6
175.07544	3.2
175.11113	4.2
179.06911	4.6
199.07591	21.6
207.06499	100.0
207.08238	3.5
216.07858	5.2
223.10991	3.8
229.08597	6.2
249.09152	5.7
251.10602	19.0
257.59799	4.0
261.08871	5.2
264.07697	6.8
276.07980	4.3
278.09280	5.3
279.10309	4.8
306.08856	3.6
307.09631	30.7
311.12906	6.8
337.10315	5.2
339.12268	23.1
369.12717	15.4
369.22754	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	369.1326
Annotation	8-(1,1-DMA)kaempferide
Peak:m/z	Relative Intensity
55.01863	4.2
55.05502	6.6
57.03429	18.0
67.05504	36.3
69.07040	17.8
71.04974	7.8
71.08611	4.3
79.05471	24.7
79.59070	3.5
81.07040	41.2
83.04942	4.3
83.08613	8.3
87.05566	7.3
88.03973	8.8
91.05468	20.3
93.07001	32.8
95.04930	3.6
95.08582	45.3
100.29807	3.7
100.80113	3.5
105.07030	15.3
107.04934	15.3
107.08562	25.5
107.99646	3.9
109.08110	3.9
109.10132	23.9
111.08057	5.6
119.08554	4.8
121.10120	19.4
125.09532	3.6
128.94473	3.9
129.08530	3.4
131.04886	16.3
131.08495	4.6
132.05688	4.7
133.06186	16.5
133.10143	8.1
135.11656	5.3
145.10155	4.4
145.48944	3.6
147.04347	5.1
147.11693	7.5
155.04892	4.7
161.05951	6.4
167.07036	17.7
175.03865	5.9
175.14760	4.8
177.05481	17.4
178.19066	4.3
191.06958	6.9
192.07770	7.1
195.06599	4.2
207.06474	16.8
215.06953	6.7
221.09673	5.8
231.08052	8.3
249.09009	15.1
259.07751	6.5
259.20584	3.7
276.07809	6.7
277.08420	8.3
277.21582	22.3
291.10022	15.9
293.07910	5.7
294.08551	5.5
305.08124	31.6
306.08606	7.1
309.11057	7.4
319.09659	6.0
325.17722	6.8
337.10617	89.0
351.25201	18.9
369.13116	100.0
369.17059	5.8
369.26193	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	369.1329
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.71622	0.9
55.05499	3.9
57.03423	2.5
67.05489	5.8
69.07044	4.4
71.05005	1.1
71.08608	1.1
74.50575	1.1
79.05487	4.7
81.07053	8.9
83.04976	1.2
83.08625	2.0
91.05468	5.3
93.07036	5.1
95.08605	5.0
97.10104	1.3
100.19890	1.0
101.05998	1.2
105.06984	1.8
107.04935	1.6
107.08570	5.2
109.06484	4.6
109.10131	5.7
111.04431	13.0
113.59893	1.3
119.08576	2.0
121.06461	1.7
121.10133	5.1
123.08009	1.5
125.05988	4.3
131.04890	4.9
133.10129	4.5
135.11690	4.2
137.05960	70.7
147.04390	4.2
147.11705	4.6
149.05984	1.1
149.09630	1.6
151.11194	1.6
161.09593	2.2
161.13142	1.5
163.11153	1.8
163.15994	1.0
173.13330	1.4
175.03868	4.4
175.11179	2.4
176.20151	1.0
177.05363	1.4
191.08597	1.2
202.07768	1.6
203.08586	2.3
203.17995	5.2
207.06497	8.4
207.08205	1.7
209.09436	1.4
218.07217	1.1
219.08044	5.2
220.08797	4.3
221.05995	1.4
221.09650	1.9
222.06789	2.5
223.07405	1.2
231.07967	9.4
231.17426	1.6
232.08885	2.2
233.05888	1.9
234.06670	1.6
235.07494	6.4
236.08318	1.6
237.09100	5.7
247.07570	6.6
248.08366	8.7
249.09096	5.6
250.06174	4.2
250.09901	2.3
251.07069	1.5
252.07881	1.7
258.06851	1.3
259.07394	2.0
261.09094	5.2
262.06302	1.2
262.09891	2.4
263.06967	3.9
263.10675	5.8
264.07809	5.3
265.08551	25.7
266.09384	4.6
275.07101	1.7
276.07809	4.4
277.08536	5.2
277.17978	22.3
277.20996	2.1
278.09296	6.9
279.06909	1.9
279.10196	7.8
280.10754	2.1
281.11639	2.1
282.08749	3.9
291.10086	34.9
293.08054	11.7
294.08792	10.4
295.09732	4.6
295.19049	4.7
305.07910	1.7
307.09567	10.9
308.10345	3.8
309.11133	27.2
311.09030	1.1
319.09555	11.3
322.08362	7.0
323.09027	2.6
337.10635	96.6
338.11368	5.2
351.17590	1.8
351.21600	11.6
351.25418	4.8
369.13297	100.0
369.22699	16.1
369.26492	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	369.2258
Annotation	Platenolide A
Peak:m/z	Relative Intensity
51.93873	0.7
52.69288	0.7
55.05502	0.8
55.89381	0.7
59.71465	0.7
62.48221	0.6
67.05465	1.2
69.03400	1.6
69.07044	1.4
79.05453	1.4
81.03375	1.6
81.07030	4.2
82.06294	0.7
83.04955	1.8
83.08595	1.6
87.04431	0.8
91.05426	3.8
93.07014	5.2
95.04948	1.0
95.08575	7.5
97.02858	1.4
97.06490	2.0
97.10115	0.9
101.05949	0.9
105.07009	5.8
107.08559	5.1
109.06476	1.3
109.10126	6.4
111.08047	1.6
114.09134	1.2
115.03901	1.0
115.76548	0.8
117.07017	0.9
119.04915	7.0
119.08545	5.7
121.06503	7.9
121.10090	9.2
123.08017	1.0
123.11629	3.5
125.09599	1.0
131.08560	5.8
133.06441	1.0
133.10081	8.9
135.08029	6.5
135.11647	3.5
137.09552	1.5
139.11096	1.1
143.08536	3.8
145.06473	1.0
145.10089	5.0
147.04372	12.7
147.07993	4.8
147.11632	5.3
149.09590	4.8
151.07478	1.8
151.11111	1.8
155.08513	1.5
157.10063	6.5
159.07997	1.6
159.11661	10.1
161.09602	1.9
161.13184	3.3
163.07471	7.0
163.11098	1.0
169.10129	1.8
171.11633	10.0
173.09596	3.3
173.13228	9.6
175.03851	41.0
175.11108	1.9
179.06908	1.1
181.10086	1.5
183.11594	3.9
185.09584	1.0
185.13200	5.0
187.11012	1.6
187.14796	1.3
189.09058	3.4
189.12654	1.1
189.16330	1.2
191.14267	1.0
195.11684	3.5
197.13196	4.1
199.11128	1.7
199.14772	9.1
201.12708	1.5
201.16309	5.6
203.10657	1.0
205.12363	0.9
207.06470	68.1
209.13196	4.1
211.14775	3.0
213.12657	1.7
213.16434	1.5
217.12195	2.0
217.15947	1.1
223.14781	1.4
225.16397	3.7
227.17928	1.5
231.13739	1.5
237.16345	6.7
238.17197	1.5
245.15416	1.6
251.17770	1.8
255.17334	4.5
257.18921	1.4
269.18948	1.8
273.18463	1.6
279.17392	1.5
285.18356	3.4
287.20041	1.9
297.18393	5.6
303.19577	1.3
311.85849	0.9
315.19440	17.4
333.20502	14.9
351.21558	31.9
369.11963	5.1
369.22626	100.0
376.52692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2266
Annotation	Manaarenolide B
Peak:m/z	Relative Intensity
50.43586	0.3
53.03966	0.3
55.01873	2.1
55.05500	2.3
55.81593	0.3
57.03428	2.8
57.07067	0.7
57.54932	0.3
57.84326	0.3
57.95181	0.3
67.05498	4.0
69.07056	4.5
69.39086	0.3
70.66075	0.4
71.08620	0.4
73.24097	0.4
79.05476	2.4
81.03377	0.5
81.07042	9.3
83.04965	1.9
83.08593	2.5
91.05463	2.5
93.07014	4.2
95.04937	0.4
95.08580	4.3
97.06487	0.5
97.10179	0.4
101.09568	0.4
105.07017	1.6
107.04937	0.5
107.08587	3.7
109.06504	3.4
109.10121	2.7
111.04415	19.0
111.08070	0.7
113.06033	0.4
119.04974	0.5
119.08533	3.5
121.06454	0.4
121.10105	4.3
123.08045	0.9
123.11668	1.7
125.05959	4.5
131.08546	2.1
133.10112	5.1
135.08032	2.1
135.11670	5.4
137.05952	100.0
137.09537	1.9
137.13286	0.5
143.08546	0.6
145.10120	1.5
147.04359	0.7
147.08023	0.7
147.11674	6.4
149.09555	4.7
149.13181	0.9
151.07484	2.8
151.11179	1.0
157.10091	2.1
159.11707	0.9
161.09561	6.0
161.13225	3.4
163.11133	3.5
163.14751	0.7
165.09053	2.4
167.10622	0.8
171.11597	1.5
175.03877	0.8
175.11159	6.0
175.14769	0.9
177.09076	0.5
177.12714	0.5
179.10672	2.4
181.12138	0.5
185.13133	0.4
189.12679	1.7
193.12160	0.6
203.17905	5.6
207.06461	3.0
211.06444	0.4
213.16298	3.5
221.19006	0.9
223.14740	0.8
231.17393	6.4
241.15775	0.8
249.08942	0.4
249.18391	3.2
259.16840	0.5
277.17920	37.5
291.10019	0.6
295.18991	10.8
309.11005	0.7
337.10623	3.0
351.21561	17.7
351.25018	1.2
369.13269	3.9
369.22614	23.7
369.26239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41579	0.6
55.01858	1.8
55.05494	3.4
57.03430	1.1
57.07065	0.8
67.05479	4.5
69.07043	3.4
70.97321	0.6
79.05445	3.1
81.07048	12.0
83.04978	1.4
83.08582	1.3
91.05448	1.4
93.07040	7.3
95.08595	8.0
97.06475	0.9
105.07028	1.5
107.08562	3.6
109.06485	3.7
109.10143	1.7
111.04417	14.4
111.08032	0.9
118.92014	0.7
119.08548	3.1
120.44494	0.8
121.10094	4.8
123.08051	1.0
123.11619	1.6
125.05923	3.7
131.04881	1.4
131.08565	0.9
133.10077	3.8
135.08080	1.3
135.11644	4.9
137.05960	100.0
137.13173	1.2
145.10112	1.9
147.04312	1.4
147.11671	5.2
149.09555	4.9
149.13222	1.5
151.07498	3.7
151.11131	1.1
157.10052	1.7
161.09521	5.2
161.13164	1.4
163.11134	3.3
165.09013	3.1
171.11632	1.2
175.03818	1.1
175.11151	3.0
193.16902	0.7
203.08548	1.4
203.17931	6.1
207.06396	1.7
207.08089	1.1
213.16342	1.8
218.07301	0.9
219.07961	2.9
221.09619	0.8
221.18790	1.1
222.06621	0.9
231.08112	1.7
231.17345	5.4
232.08778	0.9
233.93817	0.9
235.07408	1.8
236.08235	1.4
237.09036	1.9
247.07393	3.1
248.08293	4.4
249.08931	1.4
249.18443	1.7
250.06270	1.2
251.07008	0.9
252.07857	1.2
253.08501	0.7
259.07498	1.2
261.09033	1.0
263.07050	1.1
263.10571	1.7
264.07693	1.1
265.08612	10.8
266.09283	1.3
276.07779	2.7
277.08566	2.8
277.17960	32.8
277.21213	2.5
278.09091	2.5
279.10092	3.9
282.08688	1.0
291.07141	1.1
291.10107	16.4
293.08115	5.5
294.08762	3.7
295.09396	1.3
295.19034	7.1
307.09680	6.6
309.11160	12.3
319.09601	7.5
322.08243	1.4
327.13443	0.8
337.10638	46.0
338.11374	1.5
351.21558	24.3
351.25272	4.0
368.23672	0.9
369.13260	40.6
369.22372	10.9
382.51898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01947	3.2
55.01869	4.2
55.05502	4.4
55.12321	2.9
55.27834	3.0
56.82117	3.2
57.03426	29.4
57.07059	4.5
60.59866	3.3
63.78080	3.1
67.05501	31.5
69.03410	5.0
69.07061	24.2
71.08635	3.5
72.08148	33.8
76.50578	3.1
77.03325	3.1
79.05479	39.4
81.03407	7.1
81.07037	59.2
83.08615	14.7
85.06502	6.5
91.05474	15.4
92.51714	4.0
93.07022	51.7
95.08592	46.0
95.40231	3.8
97.10109	4.9
98.97557	16.3
99.08083	4.3
105.07033	26.2
107.08585	48.6
109.06512	5.9
109.10123	24.2
111.08038	6.3
116.98586	15.7
117.06937	6.0
119.08575	31.3
121.10128	36.4
123.08040	4.9
123.11748	13.7
125.09550	3.5
131.08568	15.2
133.10078	28.2
135.11696	34.1
137.09570	4.4
145.10104	15.4
147.11674	19.6
149.09564	4.3
149.13255	7.8
157.10060	3.9
159.11670	21.0
161.13326	6.1
171.11557	4.3
173.13245	8.3
185.13237	4.3
185.59239	3.4
187.14740	19.6
192.98212	5.1
205.15851	6.9
219.17413	5.8
232.96417	8.1
236.39165	3.7
241.19496	4.9
250.97493	5.8
259.20502	24.8
277.21524	43.6
305.13995	4.5
334.30975	21.3
351.25211	100.0
351.33545	38.4
369.26575	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	369.2627
Annotation	Betaenone B
Peak:m/z	Relative Intensity
55.05493	21.5
57.03428	8.5
57.07058	4.7
60.51712	2.7
67.05492	56.7
69.03414	40.6
69.07045	21.4
71.04956	5.0
71.08615	26.4
79.05468	37.0
81.07041	42.0
83.04973	7.5
83.08591	19.8
83.50607	3.0
85.06535	3.9
91.05456	15.4
93.07021	44.1
95.04921	5.6
95.08579	34.2
97.06503	7.5
97.10172	23.5
99.08060	8.4
104.95876	3.4
105.07018	16.5
107.04944	3.8
107.08576	40.1
109.06493	5.5
109.10133	32.0
111.08060	5.4
117.07004	6.7
119.08532	15.4
121.06461	5.4
121.10109	21.6
125.09608	19.9
131.04904	7.5
131.08537	5.1
133.10126	17.7
135.08025	4.3
135.11670	23.4
137.05917	6.9
145.10118	7.7
147.11650	12.8
149.13251	15.7
151.11160	18.1
161.13164	5.6
163.11111	6.0
167.07010	5.0
173.11662	3.7
177.05464	5.9
177.12717	13.5
179.14339	3.7
189.11110	3.5
195.13782	6.0
199.14713	4.2
207.06389	6.3
227.12773	6.6
231.07947	4.9
248.08266	3.4
249.09099	6.8
259.20508	3.7
277.08624	6.1
277.21564	45.8
294.08826	5.4
305.08115	18.1
309.11096	4.9
337.10672	31.0
351.25342	62.8
369.13321	48.9
369.26251	100.0
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	Betaenone B
Peak:m/z	Relative Intensity
54.65526	5.2
55.05514	23.6
57.03440	23.3
67.05485	33.9
69.07061	25.9
71.08626	29.5
79.05492	23.4
81.03406	5.2
81.07061	53.7
83.08637	21.9
91.05474	9.5
93.07029	34.3
95.08599	30.2
97.06525	7.5
97.10179	11.8
99.08057	12.2
105.07034	13.1
107.08585	13.5
109.10153	21.1
110.29664	5.8
111.08043	7.4
119.08547	22.5
121.10190	11.9
125.09621	7.9
131.08531	6.9
133.10106	11.6
135.11755	7.3
147.11693	11.1
188.35803	5.6
259.20676	6.3
277.21570	34.5
304.92450	6.0
351.25308	32.2
369.26315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2628
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.29743	2.1
55.01864	3.6
55.05501	14.6
55.14431	2.6
57.03416	17.8
57.07059	12.5
59.04153	2.5
67.05494	51.5
69.07043	30.1
71.04942	3.8
71.08620	32.2
72.08131	11.5
72.58086	3.0
79.05479	31.5
81.07037	51.9
83.04951	3.5
83.08601	16.8
85.06477	2.7
85.10159	11.8
91.05459	14.6
93.07020	44.6
95.04947	13.7
95.08583	53.7
95.59740	2.6
97.06486	5.9
97.10145	16.7
99.08050	14.9
105.07019	17.8
105.47369	2.4
107.08556	21.2
109.06477	4.3
109.10138	26.6
113.09645	5.5
117.06953	3.4
119.08537	18.6
121.10130	29.5
123.07999	4.9
125.09592	3.5
131.08521	6.6
133.10095	14.0
135.08054	2.8
135.11639	18.9
137.05875	4.7
137.09567	2.8
139.11180	4.3
141.12726	21.1
145.10080	5.9
147.11662	12.5
149.09570	4.1
149.13182	4.8
151.11128	28.0
159.11639	5.4
161.13205	10.6
163.03697	2.7
163.11165	11.7
165.12730	29.6
219.42429	2.6
259.20633	10.3
277.21570	68.1
295.22632	22.2
304.87930	3.0
307.97321	2.7
324.31177	2.5
331.76443	2.9
334.31073	3.3
335.97665	3.1
351.21664	3.6
351.25241	36.0
362.82407	2.9
369.14517	88.2
369.26266	100.0
369.34515	5.2
369.39148	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	369.2632
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.00311	1.8
53.03944	2.1
55.01857	11.3
55.05508	31.1
56.32855	1.7
57.03432	16.2
57.07056	10.3
58.56639	1.5
67.05146	2.0
67.05496	60.1
69.03421	2.6
69.07059	34.5
69.07407	2.8
70.36265	1.5
71.04969	3.7
71.08619	41.9
72.75974	1.6
72.90225	1.4
79.05478	30.3
81.03401	6.8
81.06590	3.2
81.07044	56.6
83.04948	8.0
83.08612	30.1
85.06493	2.6
85.10156	7.3
91.05458	23.7
93.07029	38.2
95.04939	10.5
95.08006	2.3
95.08592	41.5
97.06509	8.9
97.10152	20.5
98.73040	1.8
99.08081	19.5
105.07041	20.9
106.61533	1.6
107.04944	3.3
107.08576	28.2
109.06499	7.4
109.10142	35.4
111.08046	17.3
111.11652	2.1
113.09631	4.0
119.04914	10.9
119.08585	23.1
121.06445	1.8
121.10130	17.0
123.08025	6.2
123.11675	8.7
125.09584	10.6
131.08546	3.3
133.10104	18.0
135.08060	3.2
135.11647	10.4
137.05959	6.9
137.09557	7.5
139.11168	4.1
141.12724	2.0
143.08522	3.6
145.10098	6.4
147.04385	60.1
147.08064	1.9
147.11655	18.5
149.13219	7.7
151.11130	27.1
153.12700	3.4
157.10072	3.8
161.13225	10.6
163.11125	9.3
165.12686	18.1
167.06979	7.8
171.11629	3.0
173.11710	2.3
173.13158	2.0
175.03880	13.9
175.14783	2.7
177.05434	1.6
179.14293	8.5
181.04970	3.6
182.89975	2.4
185.13205	1.7
189.11217	3.0
199.14896	2.1
207.06511	14.4
227.12802	2.9
229.14435	3.9
231.20972	1.7
241.19463	2.4
245.13792	2.6
249.09088	2.1
249.22079	2.8
253.36778	1.9
259.20493	7.3
277.08502	3.1
277.21588	59.5
295.22659	8.9
309.30005	1.7
337.10596	10.3
341.14005	1.7
351.25238	65.8
369.13458	17.0
369.26285	100.0
381.75372	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.3
55.66195	1.0
55.97839	0.8
57.07078	1.0
67.05486	3.5
68.84375	0.9
69.07056	4.4
70.06590	13.5
71.08563	1.2
73.85549	0.9
78.42829	1.0
80.57770	0.8
81.07040	6.6
83.08610	3.9
83.92293	0.9
86.12817	0.9
88.07616	56.4
88.08161	2.0
89.94378	0.9
91.05475	1.6
93.07024	1.5
95.08590	4.1
97.10147	1.1
100.81108	0.9
106.08656	100.0
107.08547	1.1
109.06496	1.4
109.10175	1.6
111.09824	0.9
119.08646	1.3
121.10129	1.5
134.43546	1.1
278.24734	2.4
292.74924	1.2
296.26038	1.8
309.27731	7.1
352.32050	2.0
370.29242	8.0
370.33151	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	371.1122
Annotation	Rhopaladin B
Peak:m/z	Relative Intensity
51.33484	0.3
52.86449	0.3
55.89806	0.3
57.07069	0.6
65.03925	0.6
65.10040	0.3
67.05489	0.9
67.72346	0.4
79.05457	0.4
81.07020	0.5
83.08589	0.4
91.01990	0.4
91.05472	3.4
93.07049	0.5
95.08633	0.5
119.04924	14.6
147.04385	100.0
153.05495	0.4
161.04495	0.4
167.07018	0.5
171.06494	0.9
179.07021	0.5
181.04924	25.1
183.02542	0.4
210.15962	0.4
257.31702	0.4
335.14905	0.4
371.11203	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	371.1124
Annotation	8'beta-Hydroxyhinokinin
Peak:m/z	Relative Intensity
55.01875	1.0
61.51279	1.0
72.50449	1.1
91.05474	4.5
95.08603	2.4
106.21449	1.1
106.52131	1.2
107.04955	2.8
107.08609	1.3
109.76936	1.2
113.66007	1.1
119.04939	17.2
119.10719	1.1
133.06439	1.3
137.05988	5.5
139.01877	1.3
145.06436	1.9
147.04404	100.0
151.07509	2.3
161.05995	1.4
167.07034	4.6
173.05910	1.4
177.05440	1.9
181.04945	33.5
187.07526	1.6
207.06544	2.3
233.08084	2.3
265.08566	1.8
309.11023	1.3
371.11118	34.4
371.18152	9.8
371.26208	1.6
381.54831	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	371.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00792	0.1
54.60713	0.1
58.99561	0.3
63.24161	0.2
69.03432	1.4
71.01334	0.3
74.00644	0.3
77.14059	0.2
78.61405	0.2
85.02882	1.3
86.00643	0.3
86.06031	0.2
86.99036	0.2
88.02192	0.3
88.03979	0.3
93.95615	0.2
96.04494	0.2
97.02874	22.7
100.02180	0.2
101.00578	1.2
105.00075	1.5
120.01143	1.7
122.02715	0.4
127.03881	0.8
129.00052	1.7
132.01151	0.8
134.02679	0.3
136.06161	100.0
145.04915	0.3
146.02647	0.2
153.12314	0.2
154.03159	1.6
155.01595	0.2
158.02673	0.3
172.04228	2.1
176.96909	0.3
177.02147	0.9
188.03334	0.3
189.03731	0.2
190.05171	0.2
200.03741	2.2
201.02156	0.8
218.04771	4.1
219.03194	0.2
236.05804	5.1
236.99020	0.2
278.99951	0.4
347.28912	0.2
371.11237	11.9
371.14825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26125	1.7
57.06822	2.0
57.07072	34.7
58.07410	13.0
76.02206	6.0
77.37847	1.4
84.04494	39.7
85.02880	3.2
85.06514	7.5
86.06853	2.7
86.09676	7.2
92.30383	1.5
93.06997	2.3
104.07887	1.7
104.46191	1.7
105.00092	3.0
121.06487	100.0
122.02697	53.8
129.06587	6.9
130.04993	31.6
141.01779	3.7
142.02138	2.8
142.03191	3.9
143.99464	1.7
149.09705	1.7
155.47900	1.9
156.78137	1.6
159.10118	16.8
160.10428	19.0
167.06908	2.2
177.11143	11.9
178.11546	13.4
188.03748	10.3
191.14284	2.3
197.12683	1.8
207.06664	2.1
234.04283	10.9
240.09717	8.8
251.06927	77.0
327.77719	2.2
340.25778	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	371.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78029	1.3
51.20259	1.3
52.16919	1.3
59.94337	1.3
66.07224	1.5
69.89798	1.7
72.02594	1.5
79.04771	1.6
79.05476	4.1
79.56561	1.4
84.91344	1.8
105.07001	3.9
107.04934	21.0
121.20842	1.6
123.04433	2.6
129.06955	7.6
131.04916	2.5
133.06471	8.1
137.05949	3.2
147.04402	2.1
147.07957	3.3
151.03917	3.5
159.08052	3.4
161.05914	14.3
167.06992	100.0
172.05186	2.9
175.07491	17.5
187.07509	27.3
191.07010	6.1
194.70222	2.1
199.07523	10.5
217.06601	2.6
220.02551	1.7
221.09648	1.7
233.09442	3.3
234.06770	1.9
246.06700	2.0
249.08943	3.6
251.07037	2.4
261.09055	2.7
274.05899	2.1
277.08777	2.1
279.09991	2.5
281.11594	11.3
289.08527	1.7
291.10153	3.0
293.08612	2.1
293.11874	2.3
295.09839	2.0
306.08795	1.7
308.68259	1.7
309.11136	7.7
321.11292	2.6
326.11414	2.2
339.08322	1.9
341.13708	19.9
353.13693	7.0
371.11063	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	371.1486
Annotation	LETESTUIANIN B
Peak:m/z	Relative Intensity
57.03446	3.1
61.72128	3.0
67.05482	5.9
68.82597	3.1
79.05476	5.7
81.07035	6.3
81.28776	2.8
91.05470	26.2
95.04944	4.2
95.08588	3.4
103.05497	3.9
105.03376	20.2
105.07018	7.5
107.04952	22.0
109.06491	12.2
119.04931	81.3
123.08105	4.6
129.06972	3.8
131.04904	6.8
131.08582	5.2
132.05701	23.2
133.06479	13.0
135.07988	3.8
137.05963	70.8
147.04384	68.1
151.07527	53.5
157.06528	3.7
159.08069	14.2
160.05151	13.7
161.05946	12.4
167.07024	44.1
175.07526	14.9
177.05470	4.7
179.07013	14.3
181.04922	6.6
187.07550	28.3
189.08974	5.7
191.06966	12.6
192.07814	18.8
202.06233	4.6
217.08540	60.8
219.08115	4.5
221.09499	4.6
233.09615	5.9
234.06978	3.9
240.08047	3.2
241.08597	14.8
241.24564	3.3
247.09583	12.5
249.09088	15.6
253.83864	3.8
261.09076	16.9
263.06958	5.7
269.07837	5.1
277.08682	19.4
278.09317	14.6
281.11560	5.5
285.07639	36.1
289.08566	3.3
291.09900	4.6
293.11734	6.4
295.09549	5.1
300.09827	23.5
301.10681	7.0
307.09677	4.1
309.11191	13.1
311.12720	4.5
321.11090	5.2
323.09412	3.7
325.10535	3.8
326.11636	6.0
327.12082	4.2
339.12216	68.0
341.13690	15.0
353.09946	5.0
353.13885	34.0
371.11050	9.4
371.14905	100.0
371.25635	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	371.1483
Annotation	4beta-Hydroxyobovatachromene
Peak:m/z	Relative Intensity
50.58900	2.8
60.16760	3.3
67.77785	3.1
78.77469	3.1
79.05492	4.5
89.57710	3.0
89.71243	3.2
95.08575	3.5
107.04913	26.6
109.06533	4.5
109.10117	3.1
111.04374	3.8
115.05470	3.5
119.05001	3.8
129.06934	7.2
129.94730	3.1
131.08533	13.4
137.05954	100.0
144.05560	3.9
145.06439	5.6
147.04385	16.6
151.03925	5.2
156.05673	7.9
159.08014	29.9
161.05928	5.7
167.07002	76.8
175.07515	19.6
177.05490	4.3
187.07507	30.8
189.09023	13.3
202.06273	6.7
205.08524	6.7
217.08545	84.8
218.07303	5.0
221.09608	13.7
231.07939	8.3
233.09645	12.9
234.06595	4.3
235.07425	4.4
241.08559	21.4
247.09570	12.7
249.09088	23.4
260.08282	4.8
261.09042	36.1
263.06860	4.9
263.10687	4.2
269.08127	4.7
277.08627	22.2
278.09457	16.2
281.11813	4.7
285.07489	61.3
289.08405	6.3
291.10129	4.1
293.08466	4.8
293.11633	12.3
295.06006	3.9
295.09650	6.4
300.09921	36.2
301.10638	12.2
306.08649	6.3
307.09656	5.8
309.11157	25.9
311.09158	5.4
313.10638	6.5
320.10425	5.1
321.11093	24.8
325.10446	5.2
326.11407	16.5
341.13834	32.9
353.13687	53.0
371.11105	6.2
371.14911	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	371.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.3
57.03413	4.3
57.07060	14.5
60.99106	2.0
67.05494	38.5
67.39472	2.1
69.07040	23.7
71.08611	70.7
79.05469	14.5
81.03407	2.5
81.07034	52.1
83.08585	17.6
83.88012	2.3
91.05447	10.1
93.07019	18.0
95.08575	42.2
97.06497	3.6
97.10152	15.7
99.08061	41.2
105.07011	5.5
107.08578	19.0
109.10137	32.1
111.08092	3.5
111.67268	2.4
119.08556	9.9
121.10123	16.1
123.11662	11.0
125.09582	9.9
127.11208	3.7
131.08559	5.6
135.11646	12.9
137.13203	4.1
139.95522	2.3
141.36369	2.3
145.10126	5.3
147.11649	34.1
149.13202	3.5
153.12692	4.1
163.14774	5.0
165.12689	11.1
168.19032	3.0
169.12221	5.1
173.11752	4.2
173.13197	3.9
194.61633	2.6
217.22787	2.6
243.21005	6.2
261.22079	11.5
279.23126	56.2
284.40723	2.5
353.26788	100.0
371.27899	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	11.9
57.03427	6.9
57.07070	6.1
63.46482	1.5
65.76591	1.4
67.05499	38.8
67.17371	1.3
69.03386	1.2
69.07056	19.7
71.08620	78.0
71.29228	1.2
73.35198	1.5
79.05499	17.8
81.06567	2.7
81.07050	63.0
83.04970	1.8
83.08611	17.2
85.06534	2.6
85.10167	7.6
86.90913	1.4
91.05467	8.8
93.07036	20.9
94.00091	1.5
95.08591	42.8
97.06512	3.1
97.10168	14.6
99.08083	46.8
103.42873	1.3
105.07021	11.5
107.08569	20.5
109.10132	19.1
111.08035	3.1
113.09647	5.7
119.08538	10.2
121.10123	17.4
123.08066	1.4
123.11648	10.2
125.09641	6.0
128.21761	1.7
131.08549	11.1
133.10088	6.5
135.11661	14.0
137.13252	3.1
145.10097	2.6
147.11678	35.0
149.13258	6.1
153.12729	10.4
159.11624	2.1
161.13243	3.0
163.11162	2.6
163.14784	10.3
165.12747	10.9
167.14192	2.2
173.11720	5.9
173.13239	6.0
181.15872	5.3
187.14799	2.1
241.58623	1.4
243.21065	8.3
261.22208	13.3
264.85623	1.5
269.24615	1.4
277.71274	1.3
279.23123	43.6
353.26816	100.0
371.27917	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	371.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
55.05502	23.4
57.03425	14.8
57.07066	5.3
67.05493	61.9
69.07053	58.1
71.04978	5.2
71.08607	2.9
73.73692	2.4
79.05480	31.4
81.07049	75.6
83.04971	2.9
83.08598	24.6
85.06530	5.6
91.05479	10.7
93.07040	31.2
95.08586	65.3
95.09152	5.0
97.06518	4.9
97.10161	14.8
97.78665	2.8
105.06979	2.8
107.08566	24.4
109.10130	44.8
111.08055	3.6
119.04898	3.6
119.08553	5.6
121.10108	28.4
123.11639	11.7
125.09601	5.3
131.08527	5.3
135.11681	10.8
137.09659	2.9
137.13223	4.2
139.11159	5.3
147.04361	46.9
147.11703	3.3
149.65039	2.8
158.05605	2.5
159.11690	3.1
163.14799	4.4
173.11763	4.2
173.13123	4.0
181.04822	5.6
187.14809	2.9
190.65378	2.4
197.28743	2.6
233.07703	3.1
261.22015	4.8
279.23129	34.5
296.80334	2.6
353.26779	45.2
371.11316	11.8
371.27878	100.0
384.35837	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55032	3.4
55.01869	5.6
55.05506	18.8
57.03417	7.2
57.07077	3.6
58.04390	3.5
67.05500	57.4
68.67155	3.5
69.07054	33.6
71.08620	31.2
79.05503	28.5
81.07050	77.3
83.08611	23.8
85.06522	4.5
85.10185	5.3
91.05457	7.6
93.07027	28.3
95.08596	57.6
97.06517	5.0
97.10152	20.8
99.08089	29.2
105.07014	5.7
107.08559	29.6
109.10139	35.7
113.27584	3.7
119.08562	5.5
121.10136	23.6
123.11664	8.8
125.09636	9.0
131.08583	7.8
135.11658	28.0
140.96317	4.5
147.11667	29.8
148.12202	4.1
149.09572	4.1
149.13264	6.6
153.12730	8.1
163.11198	5.5
163.14856	6.1
165.12766	4.5
173.11768	5.8
173.13206	6.0
243.20886	5.1
261.22134	8.6
279.23099	51.6
353.26846	100.0
371.27924	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	372.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	53.0
56.05026	8.4
57.07067	24.7
59.57510	5.8
59.72571	6.2
67.05488	58.7
68.05010	9.4
68.46962	6.4
69.03403	5.0
69.07051	72.3
70.06561	10.9
71.04957	8.0
71.08624	14.0
79.05476	38.2
80.04994	7.2
81.03405	7.6
81.07047	100.0
83.04973	9.8
83.08594	25.8
84.04456	8.6
86.62062	7.3
91.05466	12.2
93.07035	40.2
94.06490	8.8
95.04955	7.3
95.08586	54.6
96.08126	9.7
97.06519	26.6
97.10170	15.5
99.30015	6.6
105.07002	25.9
107.08572	29.3
108.22019	6.0
109.10124	15.5
112.03958	34.6
119.08525	8.8
120.44241	7.3
122.02368	6.8
123.08046	6.6
123.11674	9.7
124.03858	7.4
125.09598	7.1
131.08611	6.7
133.10118	14.9
135.11667	12.9
137.09590	11.5
145.10156	12.8
147.11665	7.4
163.11151	7.3
166.15871	8.7
168.13988	7.5
180.10130	55.3
208.13277	7.2
210.14833	27.3
210.18547	7.1
210.68604	6.2
240.12305	8.4
274.21555	10.0
292.22476	9.9
354.22269	8.1
372.23428	47.8
372.30826	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	372.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45472	5.6
54.02641	6.2
55.05504	40.5
56.05029	16.6
56.19558	6.4
57.07070	10.4
58.92867	5.8
60.04518	39.4
67.05489	49.7
69.07059	68.9
70.06585	11.5
71.08626	9.9
79.05482	35.8
81.07059	71.2
83.04957	8.4
83.08611	12.5
83.15547	6.9
91.05466	8.0
93.07025	42.1
95.08602	60.6
97.06491	7.8
97.10191	10.4
100.11237	63.4
105.07033	10.1
107.08578	35.6
109.10147	15.2
111.08020	7.1
111.96708	7.8
119.08618	9.8
121.10130	17.1
123.11734	11.2
130.12241	76.3
138.12787	8.2
140.14308	68.2
142.12279	6.8
147.11679	9.4
150.17361	7.2
154.12155	9.2
156.15584	7.3
166.12355	8.9
168.13832	7.6
170.15413	25.7
172.13307	35.0
177.12735	15.3
182.15385	10.4
184.13275	12.4
194.15257	8.0
208.15788	6.7
212.16478	30.2
224.16463	13.3
226.14352	12.1
266.17398	9.1
296.25879	7.6
372.27298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	20.1
55.05740	2.4
57.07062	6.8
59.37494	2.4
67.05489	53.3
69.07060	33.4
71.04929	3.1
71.08610	17.3
77.19662	2.8
79.05474	14.2
81.07039	100.0
83.08603	24.1
85.06485	2.9
87.04446	2.9
91.05439	5.9
92.17432	3.4
93.07021	21.7
95.08585	88.3
96.08895	4.2
97.06497	5.8
97.10122	12.9
99.08058	11.0
105.07016	11.8
107.08575	23.3
109.10117	52.4
110.10538	3.0
110.13033	2.7
117.49486	2.6
119.08562	6.9
121.10092	21.3
123.11674	23.5
133.10104	16.8
135.11641	11.3
137.13274	4.9
143.10582	3.5
147.11674	14.1
149.13210	6.0
161.13234	13.4
163.14801	6.4
165.16409	3.6
172.83165	2.9
175.14804	6.9
177.91710	3.1
245.22592	29.3
263.23605	50.0
280.23636	10.8
337.27249	21.6
354.26959	29.2
355.28268	4.6
372.30676	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	373.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
69.44000	0.3
73.02917	0.6
77.03915	0.3
79.05494	0.5
83.19839	0.2
85.02912	3.1
95.01314	1.2
95.04962	2.0
103.03972	0.3
105.03394	100.0
113.02375	1.6
123.04424	3.5
131.03413	1.0
137.05997	1.5
141.01831	6.5
145.02818	2.9
150.62688	0.3
151.03920	0.4
158.29819	0.3
159.02925	0.6
167.07132	0.4
177.04172	0.3
177.05437	2.4
179.07027	22.5
197.08089	20.2
201.05455	1.7
207.06538	0.4
229.75708	0.3
291.19150	0.3
325.10663	0.6
373.08868	0.3
373.12753	3.9
373.17407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1122
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
60.99597	0.9
65.36076	0.8
65.91723	0.7
66.25741	0.9
70.06602	1.1
72.08146	1.0
75.63696	0.9
79.05464	4.2
85.02867	1.8
86.09698	1.8
95.01298	1.4
95.04934	1.5
105.03371	100.0
123.04409	9.8
129.10242	1.2
137.06021	1.4
141.01836	4.6
147.04405	1.1
162.82973	1.1
179.06985	36.5
197.08040	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	373.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59820	0.2
59.14376	0.2
89.31686	0.3
91.05470	4.0
93.06998	1.8
95.04973	0.3
95.08570	0.3
103.05463	2.4
103.15400	0.3
107.04933	1.6
119.04919	12.1
121.06470	6.0
131.04889	4.8
134.03581	0.4
134.76208	0.3
145.02821	1.8
147.04381	100.0
148.05043	2.4
149.04814	0.3
149.05963	8.7
159.04399	2.8
163.03874	0.4
163.07462	1.2
165.05443	0.4
167.06998	0.6
176.04649	1.8
177.05428	18.8
177.59279	0.4
181.08549	0.5
191.07019	1.1
194.05750	0.7
209.08044	11.3
233.50760	0.3
258.58679	0.3
343.08093	4.1
373.12576	3.7
373.24814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1275
Annotation	Licoleafol
Peak:m/z	Relative Intensity
67.05457	4.4
71.01335	4.6
79.05469	4.8
81.07030	3.3
95.04950	6.8
103.05465	4.5
105.06979	3.4
107.04948	6.6
108.77691	3.4
119.04958	5.9
121.06493	6.2
123.04390	4.0
125.06023	5.4
131.04863	4.1
135.04401	7.6
137.05972	15.8
146.03632	4.3
147.04370	32.1
147.08031	5.2
149.05966	14.0
150.06744	14.8
151.03879	100.0
151.04984	5.9
153.05476	7.1
161.05949	6.7
163.03905	4.8
163.07536	3.7
165.05455	4.7
175.07510	7.7
177.05382	25.1
178.06229	80.7
179.07008	4.7
195.06540	16.6
196.07318	28.9
197.45987	3.6
198.96785	3.7
201.05460	19.5
203.07083	16.2
221.08014	5.5
241.04755	4.9
263.85849	3.6
325.10532	5.3
329.06561	5.5
343.11755	5.1
355.11685	6.3
373.12805	17.2
380.09128	3.7
397.90439	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	373.1278
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
50.27573	2.1
51.04342	1.9
52.07420	2.1
69.03420	2.8
77.07005	2.1
91.05460	3.0
105.07016	3.5
107.85252	2.5
119.05025	4.5
121.06484	3.4
125.06082	3.2
131.04872	2.3
131.08583	3.0
133.62273	2.4
135.08038	3.7
137.05965	91.4
146.08173	2.7
147.04390	10.0
149.05933	5.1
150.06738	4.1
151.03830	4.9
151.07558	2.8
159.07983	2.4
161.05954	10.3
162.06787	3.7
168.19133	2.4
173.05978	9.6
175.03879	4.3
175.07503	10.5
177.05428	4.7
201.05417	100.0
203.07016	5.3
205.06525	3.1
207.06467	5.3
219.06363	20.2
221.05891	3.6
231.06535	3.6
233.05885	9.3
234.06732	2.8
247.07620	3.8
250.06297	4.2
253.08517	14.2
265.08508	22.0
277.08734	4.7
278.05991	2.6
279.06482	3.5
281.07965	4.0
285.11145	3.1
292.07297	5.3
293.08121	13.2
305.07944	4.0
307.09613	5.5
307.39987	2.7
310.08298	4.8
313.10657	4.6
325.10666	42.3
337.10635	4.7
343.11609	21.9
355.11884	39.3
373.12851	11.6
394.56830	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	373.1277
Annotation	Juglorin
Peak:m/z	Relative Intensity
50.20299	0.5
51.96548	0.5
64.76691	0.6
67.05480	1.1
68.82861	0.7
70.78942	0.7
79.05452	0.8
81.07044	1.4
85.02867	1.6
91.05457	1.2
94.04172	0.9
95.04938	0.8
95.08573	0.9
103.34313	0.7
105.04549	0.7
105.76712	0.7
109.06485	4.9
110.14327	0.7
115.05452	3.9
117.07012	0.8
119.08602	0.8
121.10094	1.0
122.03630	1.4
125.05971	1.6
130.04128	1.2
131.04912	2.9
137.05959	100.0
143.04904	7.0
144.05713	1.6
147.04420	2.8
151.03911	9.3
151.07271	1.1
152.04196	1.1
152.57115	0.8
153.05455	0.8
155.08501	0.8
157.06467	1.1
160.05162	17.1
161.05873	1.7
162.06676	4.4
163.07494	1.4
165.01807	3.5
175.07506	69.0
177.05453	1.3
183.08173	0.9
187.03874	7.9
187.07504	24.0
193.01265	8.2
199.03951	1.1
201.05429	23.8
203.06935	0.8
204.04594	0.8
204.77016	0.8
211.07501	10.6
219.06491	49.0
220.66370	0.9
231.06465	10.6
233.06123	0.9
239.06978	24.4
240.07806	1.1
251.10730	1.0
256.07364	1.1
265.08511	3.5
270.08746	1.5
271.09595	25.6
279.09940	1.0
305.04501	1.1
305.08026	1.0
325.10703	1.2
337.10678	1.4
343.11740	1.0
355.11734	9.0
373.09024	6.4
373.13239	3.4
373.19681	3.6
379.36655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2442
Annotation	Leu Leu Gln
Peak:m/z	Relative Intensity
51.27185	0.6
52.26979	0.6
52.55617	0.6
52.99340	0.7
56.05036	0.7
56.95856	0.6
57.04973	0.6
63.72523	0.8
69.07049	3.2
70.06555	1.0
78.44969	0.8
84.04494	9.8
84.08131	1.0
86.09693	100.0
101.07156	3.4
125.80766	0.8
130.03979	1.0
130.04129	0.8
130.04984	39.9
147.07628	64.1
163.07538	1.3
171.02213	0.8
199.18010	10.3
227.17528	8.6
234.59973	0.8
260.16046	3.4
342.59668	0.7
373.24377	8.1
373.28470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.8
55.05510	9.0
55.05736	1.1
55.71601	1.0
57.03423	1.5
57.07070	100.0
61.34316	1.1
67.05494	24.0
67.99551	1.1
69.03416	24.9
69.07052	23.5
71.04980	2.8
71.08619	76.0
81.03407	27.0
81.07041	31.4
83.08595	12.7
85.02892	26.0
85.10162	42.4
95.08585	62.0
97.02879	12.6
97.10149	12.4
99.04434	10.3
101.02346	2.1
104.10747	1.9
109.02824	9.5
109.10135	34.2
111.11691	4.7
119.06001	1.3
123.11707	13.0
127.03890	17.8
137.13289	2.6
139.02443	1.3
141.12589	1.2
145.04959	7.5
184.07335	1.6
190.07768	1.4
193.19418	2.0
211.20538	58.4
224.96661	1.4
229.21529	1.7
313.23636	1.6
355.24750	24.0
358.69272	1.3
373.25739	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	373.2689
Annotation	Neoenactin M1
Peak:m/z	Relative Intensity
55.05488	2.1
57.07062	1.8
57.08603	1.7
59.49126	2.0
67.05488	3.0
69.07055	10.7
70.02939	8.9
74.02442	3.2
81.07034	9.4
83.08609	3.0
85.06529	2.7
87.05574	47.5
88.03970	100.0
91.47572	1.7
93.07020	3.3
95.08578	9.6
96.32949	1.9
97.10123	7.7
104.79063	1.7
109.10130	4.0
116.03398	4.4
121.10123	3.6
123.11672	2.4
125.09550	2.4
129.44647	1.9
132.05637	2.7
133.06050	80.7
135.11644	2.3
137.05940	3.9
147.04356	4.5
147.11687	1.9
149.13455	2.1
153.05399	2.1
159.11543	2.0
179.06955	3.1
181.04897	9.4
207.06430	3.1
210.64972	1.9
305.94327	2.0
338.23120	28.1
341.10083	3.9
355.25803	55.6
373.12454	7.1
373.19730	14.5
373.27313	3.2
375.69128	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	373.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.1
57.03427	15.4
57.07075	34.1
67.05496	35.8
69.07064	44.5
71.04971	2.9
71.08624	41.4
79.05466	3.6
81.07044	59.1
83.08602	29.8
85.10155	11.4
87.61114	2.4
93.07030	18.5
95.08599	51.2
97.10150	19.5
100.43828	2.5
102.51460	2.7
105.07025	4.2
107.08578	5.3
109.10136	23.1
111.11700	4.9
119.08534	5.4
121.10104	4.1
123.11678	17.5
133.10112	5.8
141.12753	3.5
147.11618	4.3
161.13234	3.1
242.01215	2.7
243.06551	2.7
245.22472	3.5
299.25797	3.3
355.28503	12.3
358.59567	3.1
373.29443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82806	2.0
55.05506	11.7
57.07065	36.6
62.57817	2.4
67.05492	26.7
69.07056	27.1
71.08614	41.6
79.05487	5.4
81.07051	48.6
81.46297	2.2
82.70049	2.0
83.08608	23.0
85.10161	4.4
91.05462	5.2
92.17152	4.6
92.36770	2.3
93.07033	4.5
95.08588	40.2
97.10148	19.9
105.07043	4.7
105.97350	2.2
107.08596	12.9
109.10144	21.5
111.11702	11.7
119.08576	5.3
121.10091	5.3
123.11712	18.9
125.09617	3.4
133.10109	10.9
137.13199	2.7
141.12747	14.9
165.57574	2.5
245.22659	6.0
263.23523	5.6
281.24738	2.5
299.25806	14.9
338.38910	2.8
355.28357	100.0
373.29379	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	374.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78888	0.5
57.03417	2.6
58.33411	0.4
59.04925	0.5
59.60164	0.4
60.81242	0.4
63.99844	0.4
71.01326	4.4
73.02907	5.7
78.03437	0.8
80.04955	0.5
85.02879	12.3
87.40543	0.6
95.01302	3.2
99.00784	0.9
101.02364	3.0
103.03310	0.5
103.03927	2.3
106.02893	24.6
113.02334	8.2
124.03918	100.0
131.03378	2.5
141.01793	16.9
172.45325	0.6
180.06503	12.9
198.07564	94.2
219.04590	0.6
279.32462	0.6
316.71149	0.6
374.10706	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	374.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74408	0.4
56.22927	0.3
56.64634	0.4
57.03431	3.0
68.44074	0.5
69.03442	0.7
69.53518	0.4
71.01340	4.5
73.02896	7.2
75.79542	0.4
78.03419	1.7
80.05009	0.5
82.30293	0.4
85.02889	11.6
95.01303	2.7
97.02862	0.8
99.00764	1.0
101.02374	2.3
103.03918	2.7
106.02898	24.4
113.02347	8.8
124.03925	100.0
131.03380	1.0
137.93660	0.5
141.01805	16.2
159.02873	2.0
164.57030	0.5
180.06529	15.1
198.07581	97.1
222.07506	0.6
374.10751	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	374.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00770	0.4
54.48490	0.4
58.06579	2.4
59.06115	5.9
60.04513	3.9
60.05638	5.5
60.08155	100.0
67.05489	0.9
70.06577	4.0
81.07035	4.3
81.29670	0.5
87.67387	0.5
93.07000	0.7
95.08583	3.0
97.06496	1.0
101.07960	0.6
105.07041	0.5
107.08598	0.8
109.10130	2.8
111.08067	0.7
119.08549	0.6
121.06483	5.0
123.11662	4.0
123.22411	0.6
127.79999	0.6
131.08568	1.1
145.10071	0.8
147.08012	1.0
149.09608	2.7
157.10107	0.8
161.09557	2.9
163.11150	2.4
173.09566	0.7
175.11102	1.2
185.09618	0.7
185.13246	0.9
186.97714	0.6
187.11156	1.0
189.12544	0.9
199.14786	2.7
213.12654	0.7
241.19472	2.3
269.18942	6.0
271.20486	34.8
272.20950	1.0
297.18430	0.8
315.19449	22.2
316.19763	1.2
355.29929	0.6
374.23038	9.7
374.27029	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	375.1072
Annotation	5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
64.96314	0.5
69.03447	0.6
77.94888	0.5
95.08599	0.6
104.04442	0.6
104.05859	0.6
105.07004	0.6
107.08605	0.7
109.06515	0.5
115.28487	0.5
115.84113	0.5
119.08557	0.7
121.10123	0.6
133.80737	0.6
254.05406	0.6
255.06479	3.5
256.07309	4.1
270.05212	8.2
284.06766	23.1
286.04691	1.2
287.05481	4.3
299.05435	15.9
300.06247	1.1
301.03210	0.8
311.05530	2.9
312.06259	3.0
315.04938	36.6
316.05759	9.8
329.06552	11.3
330.07217	2.4
331.08099	73.8
375.10712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Annulin C
Peak:m/z	Relative Intensity
55.01636	1.0
55.01865	10.3
62.99795	1.1
65.48190	1.1
68.60577	1.1
73.02914	88.0
105.07053	1.7
109.06498	1.9
121.06461	4.5
125.05956	1.7
131.04924	1.5
133.06441	2.5
137.05971	45.9
146.03580	1.4
147.04411	2.2
149.05957	11.6
151.03838	1.5
151.07533	6.0
161.04686	2.5
161.05943	38.8
163.07513	2.2
165.06966	3.0
172.22470	1.2
181.06412	2.0
189.05531	1.8
191.06972	6.6
194.07291	1.5
197.09550	1.9
208.05215	1.4
209.08002	1.5
210.06744	6.5
210.17303	1.3
211.07411	2.3
213.09070	9.0
221.05925	7.5
222.06696	7.7
223.07509	2.1
225.05432	1.6
225.09074	16.8
233.08263	1.5
236.04733	2.1
238.06155	4.8
240.07791	6.0
241.08522	7.9
251.06978	8.4
253.08568	59.7
253.11220	2.2
258.08853	9.7
265.08533	2.7
268.07339	8.5
269.08127	2.8
270.08841	20.8
273.11169	18.4
279.06500	8.6
279.09958	2.0
283.09671	22.6
284.10406	2.8
285.11148	20.6
295.09607	9.8
297.11243	2.9
299.09125	18.9
309.11728	1.3
311.09103	27.8
311.12515	2.0
315.08621	13.9
325.10715	12.8
329.10132	1.4
339.11938	1.8
345.13287	11.7
357.13306	59.6
375.14340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1433
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
51.95027	5.2
61.27307	5.0
80.66109	5.6
95.04935	7.6
98.81121	6.1
105.06985	9.1
107.08514	6.8
109.06451	7.0
123.04389	7.0
131.04918	8.0
135.08028	7.0
137.05972	81.8
141.27225	8.3
145.10074	5.9
146.03659	5.6
149.05962	25.5
151.03835	11.5
151.07576	15.5
155.39308	6.8
161.05942	42.0
175.07413	10.2
177.05486	7.4
181.08621	25.6
189.05373	19.3
210.06783	8.9
213.09134	15.0
221.05873	25.0
225.09084	40.3
241.08504	15.7
252.07767	6.7
253.08545	62.9
267.09854	6.6
269.08020	58.6
270.08777	13.6
272.10333	9.0
283.09555	14.2
284.10483	32.9
285.11102	11.1
297.07648	9.0
298.08365	12.9
312.09924	27.3
313.10699	27.1
324.09906	10.3
345.13345	13.1
357.13336	64.6
375.17728	100.0
375.22742	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	375.1431
Annotation	(+)-Wikstromol
Peak:m/z	Relative Intensity
50.20895	0.7
55.01860	3.7
60.21291	0.7
63.40151	0.7
69.03424	1.1
69.82604	0.9
73.02902	16.3
74.40022	0.9
91.05465	1.1
93.07013	1.3
104.91445	0.9
119.04944	1.6
121.06490	2.0
122.03661	1.4
123.04382	1.1
125.05987	1.4
137.05946	100.0
147.04398	0.9
149.05949	14.4
151.03897	3.6
151.07498	3.8
153.05348	1.1
161.05923	11.9
167.06989	1.0
175.07454	1.3
177.05458	1.9
179.06920	3.6
181.06488	1.1
191.06999	3.5
195.07927	1.1
213.09004	5.1
221.05943	1.6
225.08977	1.5
240.07849	2.1
241.08621	4.1
243.08711	4.2
251.07008	1.6
253.08459	8.9
258.08804	2.0
259.09689	1.2
265.08582	3.7
267.10043	2.0
268.07266	1.4
269.12045	1.1
269.82697	1.0
270.08820	1.9
273.11075	4.7
279.06668	1.4
283.09644	4.5
285.11313	7.0
287.11789	5.2
294.08817	1.5
299.09195	12.8
299.12198	1.6
309.11099	1.3
311.09024	6.7
315.08563	1.8
327.12357	1.5
329.10144	5.4
345.13242	4.9
357.09637	2.1
375.14282	42.0
375.18768	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	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	17.0
65.70370	1.6
71.04967	2.0
74.67072	2.1
85.02848	2.1
91.05472	4.1
105.07008	7.8
109.10204	2.1
119.04958	18.7
131.39862	2.2
133.06467	15.2
134.52010	2.3
137.05977	15.1
147.04398	68.1
149.05913	2.2
151.03900	2.1
160.36807	1.9
161.05956	49.5
163.07578	2.2
166.81007	1.8
175.07613	2.0
177.05328	3.2
179.07018	100.0
181.04924	9.2
220.54355	2.0
309.11108	2.1
327.08484	2.3
327.12109	3.6
339.08640	2.3
339.12463	2.8
345.09888	3.7
357.09409	5.9
357.13177	8.6
375.10751	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	375.1437
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.24591	1.2
53.75294	1.3
55.01867	5.8
65.03939	2.4
71.01335	2.9
72.97402	1.1
74.13994	1.4
79.05507	1.5
81.03411	15.9
85.02922	1.8
88.97919	1.4
91.05474	30.1
95.04952	3.3
98.46928	1.4
100.92328	1.3
103.05430	2.4
105.03392	10.8
105.07024	5.2
107.04970	3.2
109.02867	2.0
109.06525	13.5
109.29852	1.2
119.04931	79.5
121.06516	2.0
123.04379	1.7
123.08068	2.8
124.05209	6.8
125.05995	3.0
129.06993	2.2
131.04915	3.1
133.06459	7.0
137.05975	37.2
146.03618	1.7
147.04384	17.4
147.08102	1.5
149.06018	2.1
150.06755	1.5
151.03902	100.0
151.04974	5.2
151.07530	40.6
153.05460	7.4
157.06491	5.7
161.06001	10.5
165.05455	1.8
167.07018	2.4
175.07552	6.0
177.05467	3.0
178.06239	22.4
179.07011	27.7
180.07768	2.8
187.07599	6.2
189.09052	2.5
195.06541	3.1
196.07329	8.1
198.12224	1.2
203.07047	7.2
205.08525	6.2
205.30740	1.4
233.08034	2.0
257.47083	1.3
281.57104	1.7
285.11243	2.0
299.09152	1.8
327.12460	2.7
339.12292	2.2
357.13324	8.9
357.29639	1.5
375.14206	9.2
375.21487	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	375.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71117	2.1
57.07056	11.9
59.97415	2.2
60.40236	2.1
69.07056	72.3
73.09188	2.1
75.50329	2.1
81.07041	9.9
83.08606	11.3
95.08582	3.3
100.15551	2.4
105.07082	2.4
107.08637	2.7
111.11742	2.9
116.28705	2.5
117.79232	2.6
157.10094	16.2
195.11610	12.7
197.13214	3.1
207.11552	2.9
209.13249	11.4
211.14984	3.2
221.13080	3.4
223.14772	6.2
234.13947	3.2
235.14751	15.5
249.16315	25.5
250.17128	17.1
251.17827	5.7
375.25031	18.7
375.30310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40593	1.0
53.16941	0.9
56.67749	0.9
58.06581	2.3
60.08156	49.8
67.05490	0.9
69.07054	12.6
69.08031	1.1
97.06510	42.9
98.97543	1.1
109.05650	1.0
122.83053	1.1
130.06500	11.6
132.04431	2.1
137.46046	1.0
146.06001	1.4
151.35542	1.0
157.07549	16.8
157.53633	1.2
158.05989	18.5
159.09126	6.4
175.08632	45.5
185.07072	3.9
186.99527	1.1
199.08659	1.3
203.08128	18.6
204.06578	1.8
221.09180	13.0
226.74553	1.1
299.13791	1.2
317.14951	19.2
335.15115	1.2
376.22195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06800	1.4
57.07064	21.4
59.34590	0.6
69.15103	0.6
89.47857	0.6
91.02020	0.5
91.56756	0.6
117.69053	0.6
121.68349	0.5
125.07123	0.6
208.14336	1.2
209.12782	12.9
210.11179	1.4
218.12828	3.1
219.11237	1.3
221.76884	0.7
275.17493	4.7
292.20117	12.3
293.18530	11.5
302.18524	29.0
358.24850	1.1
376.25845	100.0
394.26932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16596	0.5
55.05493	3.0
56.05017	2.8
57.07055	3.6
60.04508	4.4
67.05486	2.8
68.05006	1.5
69.06684	0.6
69.07045	5.5
71.08603	2.9
72.04503	54.7
74.06068	9.0
74.11897	0.6
76.03989	10.2
79.05454	0.8
81.07030	3.6
83.08601	4.2
84.04477	0.9
86.06041	3.4
88.03970	14.2
90.05523	3.6
92.17397	0.9
93.06998	1.4
95.08569	4.6
97.10148	2.9
98.72902	0.8
99.59811	0.7
102.05509	4.2
109.10110	2.7
114.05494	4.0
118.04986	69.9
121.10142	1.0
130.08589	0.7
132.06570	2.4
255.60843	0.7
264.26840	1.5
266.28522	1.0
268.26279	1.0
276.26602	1.3
282.27774	8.9
294.27893	1.6
310.27347	4.0
312.28827	1.1
322.27286	3.6
340.28421	5.1
345.94669	0.7
358.29501	10.8
376.30472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44969	0.6
69.07066	1.5
71.08610	5.0
81.07034	0.8
84.08125	3.6
86.09696	100.0
93.07020	0.8
95.08601	1.4
99.08084	3.2
107.08543	0.9
112.07600	6.1
165.12732	3.2
182.15286	0.8
183.70616	0.8
206.73320	0.7
278.24670	7.6
291.23199	3.2
300.90744	0.7
311.19305	0.7
326.35941	0.7
330.84698	0.7
376.32065	52.5
384.70215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53431	1.5
56.32596	1.7
56.56729	1.6
65.03922	2.9
66.60065	1.5
69.79462	1.6
71.01340	3.3
75.52615	1.8
77.81921	2.1
87.90028	1.8
95.04958	4.4
111.04395	4.9
123.04401	7.5
125.05989	8.0
135.04428	8.4
137.05965	2.4
146.03528	2.7
147.04381	8.1
149.05946	2.8
150.06729	9.2
151.03880	100.0
151.04942	5.8
153.05411	18.6
161.05937	2.5
163.03815	2.3
167.07047	3.7
176.51294	2.0
177.05490	10.3
178.06186	59.7
181.04897	19.2
194.17427	1.7
195.06493	12.2
196.07224	22.7
204.58217	1.9
220.25812	2.3
225.07613	4.1
333.93311	2.5
359.11099	2.5
377.12225	11.5
398.51212	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1449
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.00300	0.5
53.03936	0.7
57.03184	0.3
57.03439	7.5
59.04977	0.5
59.84518	0.4
60.47931	0.4
61.02934	3.2
69.03075	0.5
69.03419	14.6
69.93672	0.4
71.01352	3.1
71.04989	6.2
73.02881	2.6
75.04460	3.0
76.21624	0.5
78.64629	0.5
81.03413	4.9
84.20157	0.4
87.04465	0.5
99.04446	7.5
116.07063	0.7
117.05492	1.0
120.08083	2.0
130.06541	0.4
137.06007	0.5
139.02756	0.5
159.09090	0.4
172.08665	12.6
175.08707	0.9
190.09761	0.7
200.08180	4.5
201.93349	0.4
216.07680	7.9
217.09912	0.6
218.09248	1.7
234.12381	0.9
243.08730	99.3
244.07176	1.7
262.11954	0.8
288.13419	0.5
288.21143	0.4
316.12851	0.7
333.84113	0.6
359.13434	2.9
377.14490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1591
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
50.42425	0.6
50.94985	0.6
51.63965	0.6
51.66668	0.6
55.01857	1.3
71.01345	5.4
75.16879	0.6
79.05495	5.2
91.05454	4.7
93.07013	1.4
95.04966	5.2
103.05457	14.3
105.07025	3.3
107.04946	52.4
107.08588	1.3
109.06489	0.9
111.04413	1.0
114.09158	1.4
115.05363	0.9
115.06528	0.7
117.07011	1.1
118.52542	0.6
119.04906	1.7
121.06510	9.3
122.07252	0.6
123.04428	3.5
125.05964	5.5
127.86729	0.7
131.04906	6.3
131.98070	0.8
133.02843	5.6
133.06461	3.0
135.04411	9.3
135.08047	16.1
137.05965	19.0
138.06750	4.8
141.05464	0.8
145.07579	1.4
146.03613	1.5
147.04379	6.5
148.05220	1.0
149.05969	13.3
150.06734	4.5
151.03885	77.3
151.04907	3.1
151.07510	4.7
153.05431	10.5
161.05954	13.1
161.09604	4.1
163.03873	4.3
163.07515	100.0
164.89609	0.7
165.05446	4.0
166.06255	1.6
167.06998	4.9
174.06689	1.4
175.07489	1.2
177.05367	5.2
178.06232	31.2
179.07045	7.4
181.08559	36.9
182.09366	4.9
189.05458	3.7
189.09094	5.6
195.06522	11.3
195.18634	0.8
196.07280	9.0
201.86307	0.7
207.10127	12.7
217.08604	0.8
235.09648	1.5
283.09592	3.0
283.13159	1.1
304.56314	0.8
327.12289	3.7
329.13907	7.5
341.13687	2.8
347.14694	1.2
353.32962	0.9
359.14935	6.2
369.54868	0.9
377.15994	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	377.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25093	1.0
59.52184	1.0
67.05497	1.7
68.57418	1.1
69.07055	1.9
81.07012	2.5
89.06013	7.4
90.36166	1.2
95.08588	1.5
109.66060	1.4
168.87718	1.5
195.12212	2.1
229.93188	1.4
377.26505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2015
Annotation	Tyr Pro Val
Peak:m/z	Relative Intensity
53.39458	1.5
56.07937	1.5
58.06574	3.4
60.07863	2.4
60.08147	55.0
70.06551	4.2
77.06987	1.6
83.04939	11.1
86.09665	1.9
94.06547	2.6
97.33312	1.8
120.04402	4.3
120.08051	3.8
146.05927	13.8
148.03909	8.6
174.05438	15.6
257.70779	2.3
275.83429	1.9
378.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.7
56.05026	1.3
67.05486	11.1
69.07040	6.5
72.99739	1.4
79.05482	2.4
81.07064	13.1
83.08581	1.5
85.50266	1.4
88.68327	1.5
93.07037	2.8
95.08572	9.0
98.07143	1.8
100.11249	1.8
102.16143	1.7
107.08514	1.8
109.10152	6.4
121.10092	3.6
123.11662	1.8
124.11223	1.7
131.08563	1.6
174.98962	2.9
185.00931	1.7
189.00517	3.6
276.26636	2.3
296.25739	7.9
320.25824	2.8
337.16870	10.3
337.20633	1.9
337.28458	8.1
339.22415	2.0
360.27023	2.4
361.28067	2.1
370.90741	1.7
378.22278	6.7
378.26108	100.0
378.30936	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	378.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.1
55.05503	1.8
57.07063	1.5
60.54099	0.8
60.77719	1.0
67.05505	1.2
69.07047	5.4
71.04976	1.3
71.08624	35.6
77.29482	0.8
79.05457	1.4
81.07047	6.0
83.08603	1.7
86.09718	0.8
88.11261	100.0
93.07018	4.4
94.64062	0.7
95.04961	1.1
95.08588	5.3
97.06490	1.2
97.10131	1.3
99.08070	5.2
100.87797	0.9
104.63965	0.8
107.08582	2.2
109.06477	3.2
109.10123	4.1
118.67673	0.9
119.08571	3.4
121.10133	1.4
131.08507	0.9
133.10063	1.2
135.11693	1.5
138.12747	1.0
147.11653	1.2
156.13815	1.1
163.14572	0.9
165.12714	7.5
170.15387	1.4
179.15898	0.9
184.16933	1.3
190.04222	0.9
193.15849	1.0
198.18451	1.3
210.18457	1.5
247.78365	1.1
280.26279	5.6
291.22989	10.0
334.64459	1.1
378.33603	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	379.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.2
56.13463	0.8
58.93366	0.8
60.53857	0.9
61.52547	0.8
65.29203	0.8
69.03410	7.8
71.04971	1.9
72.08132	1.5
73.06541	12.6
81.03396	6.2
84.08118	1.7
85.02888	17.8
88.03948	1.1
97.01107	1.0
97.02885	12.8
99.04453	9.4
101.06000	13.1
103.03926	15.4
105.30148	1.0
109.02866	8.6
120.08058	4.2
125.41223	1.0
127.03899	25.1
135.53085	1.2
145.04955	3.5
146.06000	1.1
146.49362	1.1
151.03889	1.7
157.08638	1.7
170.90660	0.9
188.07083	3.6
199.09587	1.5
204.08778	13.0
216.08768	100.0
216.95824	1.0
218.10315	4.0
230.10292	8.3
240.08768	22.4
240.50360	1.0
242.10318	7.4
244.08295	4.1
246.09822	17.6
247.14549	1.4
258.09818	11.7
259.11673	8.2
268.08218	1.6
283.09402	2.2
286.06076	1.3
286.09277	35.4
286.12283	1.9
315.11966	1.7
333.13004	1.3
347.10947	2.2
361.12317	3.5
379.13538	71.4
379.19144	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	379.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79866	0.8
53.03939	4.2
53.45461	0.7
55.05507	12.5
56.71041	1.0
57.03434	2.1
61.44785	0.8
63.82046	0.8
64.91415	0.7
67.83446	0.8
69.03420	21.9
70.06561	0.7
71.04973	7.2
71.13731	0.7
73.06543	54.2
81.03411	25.4
83.04953	1.3
85.02890	63.7
97.02874	47.5
99.04440	36.4
101.06001	47.8
103.03927	63.6
103.51357	0.9
105.77435	0.9
109.02857	26.6
111.04431	1.2
115.07534	2.1
122.30640	0.9
127.03891	100.0
131.06979	0.9
131.36815	0.9
145.04926	14.8
157.08556	7.3
163.06001	1.2
169.08588	4.6
181.08565	4.9
187.06046	4.7
189.77670	0.9
199.09601	11.0
217.10698	6.2
235.11681	4.5
253.07115	1.1
259.11700	33.3
271.08057	3.7
277.12885	5.8
296.77615	1.0
316.01691	0.9
343.13837	4.5
361.14813	2.2
379.15857	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	379.1932
Annotation	Tixocortol
Peak:m/z	Relative Intensity
51.04866	3.6
54.80708	3.7
56.64512	3.5
57.21260	3.4
62.25125	4.4
71.04960	5.5
83.04967	8.9
91.49753	4.4
95.08571	8.1
98.36073	4.0
109.10149	5.4
133.10091	8.3
141.61919	3.9
149.09612	6.8
151.11078	4.9
159.11563	6.8
169.10098	5.2
183.11641	49.1
197.58057	5.1
199.14896	7.1
201.12573	5.0
207.70044	5.8
259.11447	17.0
297.16498	6.7
301.16156	4.9
315.17526	5.2
325.16141	21.9
332.26886	4.6
343.17294	38.0
361.18286	100.0
361.23090	6.7
379.19611	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	379.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25475	1.3
52.66217	1.4
57.07085	2.6
57.09599	1.6
75.21880	1.7
90.17712	1.8
91.05431	3.6
93.07015	19.0
95.04958	2.5
97.07624	7.7
97.59674	1.9
105.07032	2.8
107.08575	37.1
109.10157	2.8
119.08531	2.9
121.06487	4.5
123.04415	4.3
126.69841	1.9
133.10086	43.9
135.11690	15.3
146.72221	2.1
161.09566	32.1
171.06537	1.9
179.10609	100.0
197.11678	2.7
198.21228	2.0
199.44637	1.9
265.55203	1.8
298.83289	1.9
377.42172	1.9
379.28418	15.4
379.33478	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	379.284
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.05502	8.7
56.81486	3.0
57.07070	6.6
65.12700	3.5
67.05495	26.0
69.07069	34.0
71.08624	15.3
79.05487	6.0
81.07057	50.3
83.05023	4.4
83.08607	16.0
85.06546	6.8
87.22943	3.4
92.17494	4.5
93.07032	25.4
95.08592	48.7
97.10166	5.6
100.66351	4.1
105.07039	7.9
107.08576	31.1
109.10163	17.3
111.04452	44.7
111.08105	4.6
113.00001	5.1
119.08575	8.1
121.10098	9.8
123.08078	9.5
123.11681	6.0
125.05990	7.8
133.10147	14.1
135.08064	20.7
135.11673	22.3
137.05980	8.3
137.09731	5.3
138.29842	4.0
145.10147	8.4
147.11705	5.1
153.12793	4.2
157.10072	4.9
161.13309	5.3
163.11121	7.4
169.02660	6.8
172.12245	4.0
181.12273	16.5
183.93854	3.8
195.13751	5.3
220.17656	3.7
242.67587	4.3
293.03787	4.3
305.24612	70.5
319.26483	8.1
329.24884	6.2
347.25757	80.5
351.28918	26.2
379.28766	100.0
379.33347	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	380.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.1
55.05738	0.9
57.07058	1.5
58.82442	1.2
67.05496	8.4
69.07067	1.8
72.08148	100.0
79.05500	1.2
81.07047	9.8
92.17464	3.4
95.08592	7.8
96.02569	1.3
105.07049	2.0
105.51563	1.3
107.08563	1.3
109.10152	2.7
114.09151	1.5
118.08640	57.3
119.08559	1.3
123.11649	1.4
245.22565	1.4
263.23773	2.0
263.92358	1.3
334.31024	2.4
362.34027	8.5
365.05719	1.6
380.31650	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	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17411	0.2
68.20530	0.2
83.82571	0.1
92.60262	0.2
185.65164	0.2
201.01540	0.7
219.02571	0.4
381.07880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09540	1.3
52.37099	1.4
60.81614	1.4
65.86446	1.5
66.10530	1.6
67.05474	1.8
69.03403	8.9
79.05474	2.0
81.03400	6.6
93.06998	4.1
94.01035	1.7
95.08589	1.8
97.02857	9.9
99.04438	15.8
100.99422	1.7
105.18996	1.5
107.08594	3.2
109.02859	24.1
111.22499	1.4
117.03327	2.7
127.03885	21.8
133.08823	1.5
137.09612	2.3
145.02814	51.3
147.04445	1.9
149.05923	3.1
159.91617	1.7
177.03871	3.7
177.05415	100.0
249.07492	2.9
302.77295	1.8
321.09717	3.1
340.65741	2.0
345.02344	1.9
366.80328	2.0
381.11752	20.0
381.22601	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	381.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95768	0.1
69.07063	0.2
76.19067	0.1
78.78613	0.1
79.05493	0.2
81.03420	0.2
81.07060	0.2
89.03902	0.7
93.07062	0.1
96.08093	0.7
97.02872	0.9
100.12270	0.1
105.07031	0.1
107.08607	0.2
109.02847	1.2
109.06483	0.1
114.09158	7.7
117.03364	2.5
127.03891	0.2
134.03580	0.2
135.08060	0.1
143.08510	0.2
145.02832	29.9
145.10091	0.2
149.05933	1.1
157.10071	0.2
158.63004	0.1
172.81387	0.2
177.05446	100.0
186.05598	0.1
187.14728	0.2
209.16542	0.3
228.15874	0.3
303.08716	0.5
317.17435	0.2
322.24802	0.2
325.57150	0.2
335.18625	1.1
363.17847	0.2
381.11667	1.7
381.18732	0.8
381.23022	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	381.1328
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
50.44807	0.4
51.23664	0.5
53.19149	0.4
54.49222	0.4
58.08222	0.6
61.96983	0.4
147.04358	1.0
177.05432	1.1
232.08734	0.9
233.09729	0.6
247.07616	0.9
260.08331	8.3
261.09189	1.1
263.06985	1.3
264.07654	0.7
275.06989	1.4
277.08615	2.8
278.09460	2.4
282.46896	0.7
287.07050	0.7
288.07739	3.9
289.08585	2.4
290.09485	0.6
291.06516	5.8
291.09378	0.8
295.09607	1.4
305.08029	7.5
306.08792	17.6
307.09552	1.3
308.06580	0.9
316.07187	0.7
317.08017	0.7
319.05988	2.5
320.06992	0.9
320.10196	4.5
321.11169	11.7
322.08295	0.7
323.09027	8.3
333.07544	3.1
334.08264	6.3
335.09012	14.8
337.10522	0.8
338.11438	1.1
342.64783	0.6
348.09744	1.0
349.10550	7.1
350.11349	4.4
351.08585	27.3
366.10895	21.9
381.13263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31635	2.4
55.05486	2.7
55.90732	2.5
58.32624	3.1
61.60180	2.8
67.05491	2.9
69.07082	3.4
81.07017	5.5
83.08585	7.9
93.07052	3.7
95.08574	8.2
105.06965	3.6
105.98747	3.4
107.08626	5.8
109.10087	4.4
111.08057	4.7
117.88494	3.9
119.08553	6.9
125.09633	13.1
127.02116	4.5
131.08505	4.1
133.10089	26.5
135.11688	6.9
145.02791	4.1
147.11552	4.1
149.09587	4.2
177.05457	14.2
185.13196	70.1
197.13344	4.7
220.09818	3.1
223.07756	5.9
235.11533	5.5
265.19437	6.1
267.20987	3.8
273.13010	6.7
285.13022	4.9
296.42429	3.7
299.18286	6.3
306.08945	6.7
327.17679	67.1
345.18723	100.0
351.08511	5.1
363.19888	21.3
366.10837	3.8
381.13110	24.9
381.21112	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	381.2631
Annotation	Membrenone A
Peak:m/z	Relative Intensity
57.07059	12.2
63.62563	1.3
67.05494	1.8
67.14685	1.5
69.07044	8.7
80.27979	1.7
81.07064	3.5
83.08618	1.9
85.06523	10.8
87.28427	1.6
88.14147	1.5
93.07033	2.5
95.08564	3.2
107.08605	1.8
109.06455	2.8
123.08076	2.7
135.11708	4.0
135.27621	1.6
181.12177	8.6
210.12466	3.8
233.18982	7.1
261.18329	3.3
277.18076	2.7
279.19562	8.7
345.24237	3.7
363.25409	11.7
381.13318	2.4
381.26276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86258	1.9
55.05497	3.3
60.04511	9.9
67.05502	23.7
69.07047	8.4
75.05596	4.4
75.39297	2.0
79.05474	3.4
79.49760	2.4
79.63860	2.1
81.07043	36.1
82.06577	4.6
83.08594	3.1
85.07627	2.8
91.05465	3.0
93.07039	5.0
95.08580	23.8
97.10158	3.0
100.11260	3.0
101.07137	5.2
103.05035	3.2
107.08561	4.3
109.07639	3.0
109.10132	18.1
117.06966	2.4
121.10122	3.6
131.08546	3.4
133.10118	4.7
135.09195	5.6
135.11664	4.2
137.10703	5.4
143.08159	2.9
145.10060	2.3
147.11665	4.0
155.11818	9.2
173.13226	3.2
179.15463	3.0
221.16507	22.1
275.17432	2.9
278.24823	8.8
293.18549	5.6
296.25797	3.0
303.24280	3.9
304.22632	2.6
321.25391	15.4
339.26303	10.8
363.26318	12.0
381.27338	100.0
381.35266	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	381.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44296	0.5
55.05496	3.4
57.07049	1.5
58.02946	4.2
59.06116	0.7
63.51925	0.6
67.05502	4.2
67.68965	0.6
69.03424	0.8
69.07073	7.2
71.08590	0.7
72.08145	36.7
81.07043	5.3
83.08609	4.7
89.10760	2.7
91.05437	0.8
93.07021	2.7
95.08598	6.6
97.10146	3.4
98.06047	0.6
99.09201	13.1
100.07604	100.0
107.08587	3.2
109.10139	3.4
111.11714	0.8
114.09140	3.2
117.10235	79.4
121.10119	3.3
123.11701	0.9
133.10150	0.7
135.11673	3.1
149.13309	0.8
172.61279	0.6
173.86288	0.6
199.11415	0.6
228.23296	0.6
230.40974	0.6
322.34631	0.9
336.32587	9.3
353.35178	6.6
381.26981	3.1
381.34726	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.8
57.07072	10.8
58.34135	0.8
59.43739	1.0
60.69926	0.7
67.05207	0.8
67.05499	11.6
69.07059	13.3
71.08616	13.9
79.05470	5.3
81.07050	44.1
83.08616	12.3
85.10185	6.1
91.05456	6.7
93.07043	14.1
95.08585	27.5
97.10136	14.8
105.07016	20.2
107.08585	15.6
109.10142	15.9
110.21866	0.8
111.11687	4.4
117.07009	7.4
119.08567	9.7
121.10126	6.4
123.11657	8.8
131.08539	12.9
133.10095	24.6
135.11696	5.8
137.13242	5.3
143.08534	1.7
145.10104	42.0
147.11664	25.8
149.13251	4.5
151.14746	1.4
157.10143	6.7
159.11655	34.5
159.12947	1.2
161.13196	7.6
163.14789	3.7
173.13229	6.1
175.14774	3.5
177.56544	0.9
185.13260	4.1
187.14787	4.4
189.16376	1.1
199.14761	7.1
201.16330	3.0
205.98453	0.9
213.16428	7.2
215.17921	1.0
227.17857	1.3
233.22641	1.3
241.19516	3.6
255.21063	4.0
261.25626	3.0
273.40491	0.9
275.27429	1.4
361.30832	0.9
381.35095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92733	4.9
55.05503	9.7
57.07074	12.8
67.05485	10.4
69.07059	11.0
71.08597	14.4
81.07027	39.9
83.08589	13.3
91.05469	12.7
93.07062	6.2
95.08566	37.2
96.75497	7.0
97.10134	14.6
97.46474	5.7
105.06991	23.6
107.08556	11.7
109.10110	14.8
117.06989	6.8
123.11653	7.9
131.08562	26.9
133.10071	28.1
145.10051	46.9
147.11671	25.2
155.51390	7.1
157.10051	8.5
159.11659	49.8
161.13187	6.3
171.11697	8.3
173.13188	14.2
185.13158	8.4
213.16277	8.0
259.64044	6.3
344.46585	6.5
381.31012	7.1
381.35187	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	382.17
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01864	7.0
57.07074	4.9
59.04974	1.3
67.05505	1.6
69.03420	11.4
69.07050	8.5
70.02939	1.6
72.04505	24.8
73.02911	11.3
77.17489	1.2
81.03407	13.3
83.04968	2.0
85.02886	15.3
85.06527	8.6
86.09702	5.3
87.08091	5.6
90.05540	100.0
92.94319	1.3
95.04369	1.4
95.04972	6.5
97.02876	10.8
98.02402	14.3
99.04439	6.8
99.21488	1.6
100.03957	6.3
103.07586	5.8
105.74612	1.3
109.02864	21.2
113.05970	2.4
116.03427	33.6
124.07558	20.2
127.03871	25.8
131.06993	1.6
132.06575	11.8
136.07524	1.8
138.05504	1.4
142.08640	19.4
145.04944	7.3
153.35883	1.4
156.10158	1.8
160.09659	10.8
166.08655	6.7
172.09631	3.0
174.11278	9.3
184.09660	42.9
187.05951	4.9
199.05995	8.7
202.10704	83.4
203.39056	1.6
211.09613	5.8
216.08661	1.6
217.07028	7.5
220.11755	81.2
230.10323	1.9
234.09692	8.5
243.06657	1.3
250.33023	1.3
262.12860	7.3
271.99716	1.3
286.30420	1.4
310.12869	2.2
328.13800	46.0
336.37189	1.3
346.14883	12.6
364.11401	2.6
364.15961	73.5
382.16925	8.3
397.19974	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	383.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17568	2.0
62.45973	1.9
67.69719	2.1
69.03423	9.6
72.04479	2.1
81.03403	8.6
81.07058	2.7
85.02903	39.3
90.05534	19.2
91.05875	3.8
97.02899	10.8
103.03929	3.7
109.02852	3.2
110.07156	3.6
116.03447	2.9
119.35981	2.3
127.03922	10.4
130.06491	36.7
132.04462	4.7
144.07033	2.5
144.08011	18.7
145.07628	17.5
148.07539	3.7
157.07582	50.2
158.05986	39.4
159.09151	10.0
169.07597	3.2
171.09109	5.4
172.07529	8.0
174.05499	5.2
175.08632	83.7
176.07118	2.6
183.09119	16.9
185.07053	8.6
199.08630	14.4
200.07079	24.9
202.10855	2.8
203.08122	95.2
204.06537	3.6
205.85637	2.4
209.07283	8.6
216.08897	5.4
217.09695	35.5
220.11728	11.2
220.63951	2.7
221.09210	37.3
221.12218	18.7
227.08211	12.4
231.07607	3.9
245.09184	15.4
263.10254	31.7
266.08246	2.5
299.10217	2.8
347.12411	5.2
365.13416	32.9
383.09161	5.0
383.14438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69711	1.6
58.33750	1.6
62.68943	1.6
62.69281	1.6
67.05496	2.1
78.47644	1.8
92.16879	2.3
95.08566	2.2
102.45254	1.9
105.07014	11.8
107.04905	2.1
109.10193	2.1
133.06442	3.6
137.05952	100.0
147.88210	2.1
161.05913	31.9
171.07990	2.7
199.07463	26.2
202.07748	2.1
203.08554	13.8
219.07993	2.6
224.45708	2.4
231.07977	29.0
232.08859	3.3
235.11127	2.8
248.08336	13.9
259.07507	24.5
260.08267	15.5
263.10690	16.0
276.07684	15.0
277.08575	9.7
291.10098	60.2
292.10895	2.5
293.08002	2.2
308.10156	3.2
313.83337	1.9
323.12729	33.3
383.14832	8.8
383.24460	2.9
383.28766	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	383.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49200	1.2
51.82320	1.0
51.82606	1.3
54.06857	1.2
56.40237	1.2
56.71214	1.3
57.03422	1.7
59.04988	1.9
63.96874	1.1
65.96496	1.3
67.05502	3.0
68.83630	1.3
69.07062	2.0
71.04976	1.8
72.07215	1.3
79.05467	2.4
81.03394	2.2
81.07026	7.4
86.04328	1.4
91.05454	3.4
93.07017	5.8
95.04946	1.7
95.08591	1.8
96.81665	1.4
105.07017	9.1
107.08576	1.8
109.06495	9.3
109.10162	2.3
117.39626	1.3
121.10124	1.9
128.31349	1.7
131.08582	1.7
133.06474	7.7
134.78496	1.6
135.08067	1.8
137.05956	100.0
159.08110	1.7
161.05949	37.2
162.06563	1.5
163.14212	1.5
171.07944	1.9
175.07620	1.7
199.07518	27.2
202.07877	1.7
203.08554	13.7
217.15784	1.7
220.08754	3.0
231.08014	27.3
232.08777	10.3
235.11060	2.4
245.09573	1.8
248.08278	10.6
259.07501	29.0
260.08276	18.1
262.09747	2.6
263.10599	15.5
273.18433	3.3
276.07648	14.9
277.08563	7.5
291.10107	68.4
292.10947	9.9
293.08005	2.8
308.10324	5.3
323.12741	32.4
365.23175	10.5
383.15424	1.9
383.24442	2.3
388.35257	1.6
398.28168	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2053
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
53.08346	6.0
54.81388	4.9
62.41516	5.8
69.03414	6.2
69.07082	6.5
71.04993	6.1
79.05457	10.1
83.04968	10.7
85.01707	5.8
85.06518	6.5
93.07044	10.3
95.04953	35.6
95.08630	7.0
97.06509	7.5
99.04416	7.9
105.07027	10.2
107.04878	6.4
107.08556	10.6
109.06483	6.4
109.10228	6.7
114.09180	9.9
119.08558	23.8
121.06488	8.5
121.10069	21.5
125.05982	6.9
131.08553	7.7
133.10077	9.9
135.08022	8.3
137.05913	8.5
143.08563	7.9
145.06445	9.8
145.10080	14.8
147.08032	12.1
157.10059	7.4
159.11658	13.6
161.09518	7.5
163.11076	6.8
165.09042	7.4
171.11588	8.9
173.09616	8.1
173.13301	7.0
177.12776	7.3
185.09615	8.4
187.11145	12.6
201.12773	7.9
241.15710	9.0
245.52315	5.9
273.18262	9.3
319.19055	11.3
337.19882	11.9
347.18301	10.1
365.19595	65.4
383.15594	11.2
383.20477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2054
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
57.03432	50.0
59.04998	36.3
67.05498	9.1
69.07059	8.7
73.02882	6.6
75.04462	21.4
77.52879	3.9
81.07027	8.0
83.04964	5.5
87.20567	4.1
91.05439	8.1
95.04954	4.4
95.08596	8.4
97.06521	8.8
99.04431	4.2
99.08070	20.0
105.06968	8.2
107.08564	8.7
109.06506	6.9
115.07544	7.4
121.06339	4.2
121.10140	8.5
125.08369	4.6
131.08545	9.0
133.08597	8.7
133.10092	8.3
135.08025	17.1
145.10097	7.0
146.23650	4.5
147.04500	4.1
149.09549	4.6
153.98235	4.3
157.10110	19.7
159.11667	18.1
161.09590	8.8
165.82445	4.7
171.11687	22.4
173.13237	8.0
177.09048	5.3
191.12648	5.7
195.11617	10.3
199.11140	8.4
199.14754	8.2
227.14590	4.4
231.13710	53.5
241.15782	9.2
249.11136	4.8
259.16989	25.1
273.18506	20.4
283.16516	4.5
301.17868	21.5
319.19046	49.2
337.19977	8.1
347.18295	7.6
365.19464	100.0
365.23456	9.8
383.20496	25.2
383.25180	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	383.2783
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
55.05488	7.0
55.10761	3.1
57.07053	5.8
61.94161	3.5
67.05492	28.3
67.25263	3.2
69.07050	30.5
69.17581	3.5
71.04978	4.4
71.73256	4.0
73.59710	3.7
79.05496	4.4
81.07047	36.6
83.04969	6.4
83.08620	38.9
85.06514	5.6
91.05473	4.4
93.07022	29.8
95.08562	32.6
95.74881	3.3
97.06516	19.3
102.15887	4.0
104.42072	3.9
107.08569	26.3
108.92279	3.6
109.10154	20.5
111.08053	23.2
119.08540	4.5
121.10124	22.9
123.11637	6.4
125.09650	5.0
125.13209	5.4
135.11684	14.4
147.11646	4.2
149.13231	100.0
159.11673	18.5
161.09517	4.7
167.14273	40.0
173.13029	4.7
177.12744	18.1
195.13776	6.1
231.15776	39.0
279.19357	12.6
297.20511	14.9
319.26309	9.5
329.02652	4.4
337.27188	8.5
347.25653	68.2
365.26855	18.6
383.27863	68.6
383.32645	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	383.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38643	2.3
55.05499	5.4
59.06124	25.3
60.04280	2.0
60.04522	26.0
67.05489	5.8
69.04517	3.1
69.07053	23.4
71.08628	3.5
79.05482	2.7
81.07036	13.7
81.91898	2.3
83.08600	17.0
85.04015	3.0
85.07653	18.7
89.35620	2.2
93.07022	6.2
95.08599	24.3
97.10138	14.6
101.07124	13.3
103.05068	3.3
107.08607	4.0
109.10132	13.7
111.11717	5.3
119.08537	3.3
123.11710	3.3
124.43238	3.0
133.10103	3.7
137.09665	3.6
137.10732	13.9
147.11711	3.7
149.13292	3.3
154.12169	3.6
163.14799	3.4
200.91045	2.9
251.21223	5.3
263.23511	3.7
279.24319	13.2
280.26321	25.0
281.18741	4.2
295.27295	6.3
298.27390	18.2
305.25867	11.2
309.21805	3.1
323.26834	46.9
339.29904	4.8
341.27820	30.6
365.28018	6.4
383.28745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78746	0.7
51.89431	0.6
55.93519	0.9
70.06545	0.7
85.02881	1.8
86.09688	100.0
91.96118	0.9
92.16725	0.9
110.07133	4.8
116.75678	0.9
123.89056	1.0
132.10175	70.9
136.06168	1.0
145.96648	0.9
162.07729	2.0
165.93910	1.0
173.96046	1.0
184.44548	0.9
191.95415	1.1
211.05411	0.8
217.01529	1.3
231.03482	0.9
234.06216	1.9
252.07271	12.4
255.76730	0.9
279.96994	4.2
304.30515	0.9
316.96875	0.9
381.09811	0.9
384.11627	1.3
384.18930	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	385.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70570	0.2
61.34578	0.2
79.38809	0.2
85.84863	0.2
89.62508	0.2
93.09365	0.3
96.33543	0.3
116.98550	0.4
119.01917	0.3
142.70981	0.3
177.00952	1.1
188.18442	0.3
219.01985	5.5
220.02019	0.4
225.00992	1.5
243.01950	9.6
256.95123	4.0
258.99713	0.3
261.03036	100.0
262.03223	0.4
263.03003	1.6
264.98572	0.3
277.00833	0.5
279.00562	0.3
280.98050	0.4
282.99966	4.0
284.00073	9.1
284.03268	0.4
284.04630	0.6
284.99927	0.4
298.96152	3.7
300.93970	0.5
301.01004	5.3
302.01147	11.0
303.00861	0.4
320.02295	0.3
324.94067	13.0
325.00494	0.4
326.01086	1.1
340.95190	0.3
342.95197	22.0
343.01337	2.1
344.02188	5.7
362.03293	1.5
366.95215	1.3
367.02139	1.7
384.96210	10.1
385.03131	17.0
402.97433	1.6
403.04239	19.3
403.08255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0913
Annotation	Nidurufin
Peak:m/z	Relative Intensity
64.24921	0.3
73.62530	0.3
105.07001	0.3
109.10081	0.3
119.08499	0.3
145.02841	0.4
177.05321	0.3
201.20064	0.3
255.06450	1.2
256.07227	1.9
257.04388	0.7
270.05206	0.6
272.06821	1.3
283.05969	0.4
284.06735	10.2
287.05386	2.8
299.05484	8.5
300.06253	1.6
311.02029	0.3
311.05319	2.4
312.06183	0.7
313.07059	4.7
315.04913	4.6
315.08582	12.6
316.05713	2.3
327.04846	0.7
329.06509	4.5
331.08102	13.7
341.06522	24.0
357.09586	2.5
369.05951	0.4
385.09109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1274
Annotation	Calebin A
Peak:m/z	Relative Intensity
50.64179	1.1
53.42606	1.3
57.89926	1.4
59.76337	1.5
61.80100	1.4
67.05463	2.1
70.12135	1.5
83.18429	1.4
83.48658	1.4
91.05489	1.4
95.08581	1.8
100.40505	1.7
109.06499	1.5
109.10092	1.9
117.03368	3.8
131.04897	9.2
137.05945	27.0
145.02820	46.7
149.05952	11.5
161.05937	1.9
162.03156	2.2
163.03931	1.8
164.76654	1.6
167.07025	17.6
177.05421	78.9
180.07793	9.8
190.02562	12.6
191.07040	2.5
194.01718	1.6
205.04903	100.0
213.05391	7.1
219.07936	2.5
221.09467	3.4
234.06404	1.6
241.08575	8.1
249.09041	1.8
266.09344	2.2
269.07953	3.4
277.08649	1.8
301.10590	7.0
307.09637	3.0
314.93787	1.7
316.98849	1.6
325.10669	9.2
335.09113	2.9
340.26456	1.7
343.22302	2.2
344.22723	29.3
353.10092	9.7
367.11627	13.7
367.24820	2.1
385.12762	16.4
385.23907	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	385.1277
Annotation	S-Adenosyl-L-homocysteine
Peak:m/z	Relative Intensity
56.14040	0.2
61.01139	0.3
64.43040	0.3
72.69607	0.3
75.79632	0.3
79.77075	0.3
86.09669	0.6
87.09995	0.4
88.02192	30.3
97.02850	2.8
99.04410	1.2
134.02679	77.7
136.06151	100.0
148.04341	0.4
161.04646	0.6
162.05524	0.5
178.09653	0.3
232.06316	1.3
250.07358	10.7
321.88806	0.3
359.21445	0.4
385.12762	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	385.2581
Annotation	Betaenone D
Peak:m/z	Relative Intensity
55.35908	11.1
56.89341	9.5
57.03431	17.0
58.96570	8.8
67.05495	48.0
68.93268	11.6
69.07051	26.0
71.04989	12.1
79.05490	52.2
81.07051	72.7
91.05501	11.2
92.17397	11.9
93.07033	60.2
95.08591	26.5
97.10162	24.9
102.59568	11.2
105.07018	22.8
107.08611	59.8
109.10172	44.2
111.08054	19.8
117.06998	12.7
119.08614	14.3
121.10132	49.8
123.11608	12.9
125.09705	13.4
131.08553	14.0
133.10135	17.4
135.11685	11.3
139.11008	12.8
149.09642	12.1
159.11673	13.2
163.11038	11.4
173.13293	12.7
241.14291	13.0
275.19992	100.0
293.21060	22.6
295.68420	11.9
349.23434	13.6
362.19250	42.8
367.20758	11.7
367.24747	89.5
373.69751	18.2
385.25638	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	385.2569
Annotation	Betaenone D
Peak:m/z	Relative Intensity
51.16297	1.7
52.06015	1.9
53.26291	1.7
55.05505	3.6
57.03421	2.5
61.02057	2.1
67.05495	15.7
67.05802	1.6
69.07056	3.4
71.08620	15.4
75.51487	1.8
79.05474	4.4
81.07040	11.7
83.08612	3.9
93.07021	4.4
95.08602	9.0
97.10181	14.2
99.08067	5.0
103.10281	1.9
107.08597	8.8
109.10114	13.0
112.38013	2.2
118.68859	2.0
119.08488	2.7
120.88100	2.2
125.09597	9.8
131.08505	2.7
133.10069	3.1
144.69302	2.1
145.88968	2.0
159.11717	2.3
173.13177	3.2
229.14331	10.4
248.07883	2.2
275.20038	8.0
293.21036	100.0
367.24658	41.1
385.25464	2.5
389.85864	2.5
404.87408	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	385.258
Annotation	Betaenone D
Peak:m/z	Relative Intensity
55.01862	4.1
55.05512	25.2
56.32693	1.7
57.03429	17.2
57.07050	2.0
59.04986	3.3
59.24628	1.6
60.05948	1.6
65.03946	1.7
67.05498	90.5
69.03425	3.4
69.07063	28.6
71.04964	8.5
71.08622	46.0
74.07912	2.0
79.05479	22.6
81.03427	1.9
81.07041	29.5
82.59710	2.1
83.04965	15.8
83.08617	17.5
85.06524	4.0
91.05471	9.4
93.07043	28.1
95.04948	7.7
95.08588	32.2
97.06516	11.2
97.10162	29.1
97.41866	2.2
99.08077	27.0
105.07024	10.6
107.04934	2.9
107.08585	16.4
109.06487	3.1
109.10145	100.0
109.33336	1.8
111.08079	9.4
119.08546	16.2
121.10120	7.4
125.09622	12.1
133.10138	8.0
135.08041	3.0
137.09573	4.6
139.11151	24.1
145.10060	2.3
147.11691	2.8
151.11214	14.9
155.10649	19.5
157.12234	12.1
159.11589	2.2
173.11697	33.2
177.12733	4.0
189.11247	2.6
195.13771	3.8
203.07059	2.4
229.14284	57.5
229.16348	3.3
245.04808	2.5
275.20044	12.9
293.21085	45.1
308.41644	2.4
311.22150	3.1
340.25974	6.9
367.24692	22.7
385.12717	2.9
385.25806	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	385.305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	3.9
62.08469	1.5
62.69613	1.9
63.93643	1.5
67.05493	2.6
69.07048	2.7
71.08604	7.4
78.46296	1.7
81.07045	3.1
83.06092	16.3
83.06528	1.5
84.04490	48.4
85.10162	2.5
95.08562	4.5
97.10101	2.3
100.52683	1.8
101.07130	9.4
101.49237	1.7
102.05527	1.9
109.10097	3.0
129.06578	26.3
130.04977	100.0
147.07634	26.7
209.16504	2.0
239.23729	3.1
256.26279	3.7
367.29678	2.5
385.30835	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	386.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55844	1.0
53.03936	1.1
54.08523	0.9
55.05508	2.6
56.97143	1.4
69.03419	8.6
71.04979	1.4
72.08105	1.1
79.87118	1.0
81.03414	4.5
83.04975	9.7
85.02896	9.7
86.09702	1.6
88.02215	13.8
97.02859	4.6
98.06067	2.1
99.04432	1.5
109.02863	2.5
114.09137	1.3
115.08677	1.6
117.05474	2.5
127.03896	5.8
132.04420	4.6
134.02705	32.0
141.01790	2.2
145.02759	2.2
157.08627	8.4
162.05478	100.0
164.03406	12.8
175.09642	7.3
177.05457	23.0
178.04926	1.4
187.05997	2.4
188.03410	47.7
188.05020	2.2
206.04486	14.6
206.11815	1.7
224.05473	11.0
231.21658	1.2
250.07430	6.1
265.15396	11.6
332.07559	2.1
350.08578	14.4
368.09543	2.4
386.17447	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1069
Annotation	5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.24664	0.5
55.01873	0.6
55.05497	1.6
60.76750	0.6
63.05737	0.6
65.67046	0.6
67.05477	1.0
68.19427	0.5
69.07037	0.7
79.05458	0.6
80.08251	0.6
81.07044	1.2
83.04943	0.9
83.08587	1.5
93.06992	2.9
95.04940	0.8
95.08578	0.8
97.10101	2.9
107.08560	1.2
109.06464	1.1
119.04871	1.0
121.10174	0.7
125.09601	1.4
131.04909	1.3
133.10121	0.8
137.05960	56.8
145.06464	0.8
147.04335	1.4
147.07883	1.3
165.05481	0.8
166.00821	0.8
167.06963	3.5
173.05855	1.3
175.03847	0.9
175.07422	0.9
181.04919	8.3
191.07050	1.6
207.06438	1.7
231.07904	0.8
270.05157	3.1
284.06830	2.3
297.07422	1.1
298.08261	2.7
299.05359	2.7
299.08841	1.2
300.06055	0.8
313.06989	5.3
315.04840	12.7
315.08322	2.4
316.05670	3.7
327.08618	7.9
329.06345	4.1
330.07251	0.9
331.08051	22.5
341.06503	8.1
343.07892	2.7
351.11996	0.8
355.08102	1.0
357.12924	1.3
369.13162	1.4
387.10498	100.0
387.14200	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	387.128
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
69.03426	0.5
81.03419	2.6
82.43218	0.3
85.02893	2.1
91.05465	4.0
94.41803	0.3
99.04465	0.4
109.02874	0.7
119.04926	20.9
132.96808	0.3
137.05991	0.5
147.04390	27.1
151.03737	0.3
157.03976	1.8
162.27068	0.3
167.01988	0.3
175.03877	75.9
179.07021	1.5
192.04135	0.4
207.06500	100.0
225.07384	1.3
244.63625	0.3
351.10745	1.5
369.11740	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	387.1276
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
53.28463	0.2
63.36720	0.2
67.09676	0.3
69.03410	1.3
71.10908	0.3
81.03397	2.6
82.70949	0.3
85.02876	1.8
91.05461	6.4
97.22300	0.3
109.02846	0.7
119.04916	21.1
127.03821	0.3
128.85413	0.3
131.04916	0.4
147.04376	27.3
157.03957	1.9
164.04654	0.4
175.03860	80.4
179.06995	1.5
182.91396	0.4
207.06479	100.0
223.78041	0.3
225.07579	0.5
252.20901	0.4
351.10498	2.0
369.11728	5.6
376.52350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05414	1.0
55.05518	3.8
57.03453	1.1
67.05508	1.5
78.66522	1.1
79.05494	1.9
81.07065	2.6
83.02402	1.0
83.07763	1.0
83.08636	2.1
86.01669	1.0
89.20586	1.1
93.07033	2.1
95.04965	1.1
95.08608	1.4
97.10166	4.4
107.04961	1.6
107.08595	2.6
111.08068	1.3
122.03635	4.5
125.09598	2.0
131.04878	1.2
133.10121	1.0
137.05975	100.0
140.37001	1.2
143.04936	1.4
145.06442	1.6
145.10060	1.7
147.04379	1.2
151.03897	4.2
161.93503	1.1
167.07007	7.6
173.05945	1.8
181.04936	12.0
185.04143	1.2
191.07053	5.6
207.06410	1.3
270.05115	1.6
313.07068	2.1
315.05096	9.4
315.08087	1.2
316.05573	1.5
327.08633	5.4
329.06369	2.1
331.08145	16.5
341.06546	2.6
349.44116	1.1
357.13379	1.4
369.13348	1.5
377.27570	1.2
387.10678	60.2
387.14590	19.2
387.23935	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	387.1431
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3',4'-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.84175	0.6
54.04652	0.5
55.01859	1.1
69.03429	0.8
72.69656	0.8
79.05463	1.2
83.08605	0.7
83.16930	0.7
85.06616	0.6
91.05479	0.7
93.07037	0.8
95.04964	1.3
103.05435	1.6
107.04929	3.7
117.06946	1.0
119.08520	0.8
121.02831	4.1
122.03632	1.1
123.41972	0.6
125.05949	0.8
131.04915	7.7
133.06409	1.1
137.05951	100.0
143.04916	4.0
145.06447	2.6
148.05188	1.0
151.03868	12.8
161.05887	1.1
163.07501	5.6
167.07005	14.9
173.05965	4.4
175.03835	1.3
175.07544	3.3
181.04907	18.3
187.07588	1.1
191.06995	17.3
203.07025	1.4
205.08549	1.4
207.06499	2.7
219.07938	1.0
231.07980	1.3
246.06776	0.9
247.07469	2.7
248.08435	0.8
249.09045	1.1
277.08456	0.8
278.09271	0.9
279.10260	1.5
291.10132	1.1
293.08066	0.8
305.08047	4.6
306.08914	0.9
307.09387	0.7
309.11163	0.9
319.09610	3.0
337.10672	5.2
339.12213	2.4
351.12195	4.0
357.13278	5.8
369.13239	6.0
387.14291	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	387.1432
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
55.01862	0.6
55.05502	1.3
57.03430	0.5
64.32439	0.2
65.03919	0.3
67.05498	3.8
69.07063	2.5
71.04976	0.5
71.08612	1.0
72.33038	0.2
75.90609	0.3
77.15689	0.2
79.05495	2.0
81.03418	0.3
81.07047	3.2
83.04953	0.5
83.08606	2.0
85.06517	0.2
85.10177	1.1
91.05481	1.8
93.07006	2.2
94.04155	0.3
95.04974	0.6
95.08606	2.3
97.06515	0.6
97.10141	1.5
99.08092	1.1
103.05473	0.3
103.41177	0.3
105.07017	1.1
107.04947	3.0
107.08579	2.4
109.06504	1.5
109.10133	3.8
111.04431	0.5
111.08002	0.9
113.09601	0.5
115.05449	0.5
117.06953	0.6
119.08574	1.8
121.10123	1.6
122.03622	2.1
123.08054	0.4
123.11623	0.3
125.05958	0.6
125.09615	1.1
129.07002	0.3
131.04886	0.4
131.08531	0.5
133.10088	0.6
134.12805	0.3
135.11700	0.6
137.05959	100.0
138.09537	0.3
139.11185	0.3
143.04919	1.1
145.06435	1.8
145.10141	0.3
147.04417	0.6
147.08041	1.9
147.11665	1.6
149.13258	1.1
151.03917	2.3
151.11125	0.6
153.05444	0.4
155.04865	0.4
157.06490	0.4
161.05899	0.4
161.13191	0.5
163.07552	0.5
163.11095	0.3
165.05560	0.3
165.12721	0.6
167.07001	5.7
171.04355	0.4
173.05873	1.9
173.11702	0.4
173.13242	0.3
175.03838	0.3
175.07510	4.0
177.05510	0.3
181.04915	8.3
187.07520	0.5
191.07013	2.4
201.05402	2.1
203.07021	2.5
205.08571	0.6
207.06584	0.6
215.06958	0.3
229.14334	1.5
231.20950	0.3
233.08037	1.3
235.09644	3.5
249.09163	1.1
251.09093	1.6
263.06912	0.3
263.09119	3.5
265.08365	0.9
277.08533	1.5
277.21591	3.5
291.10062	0.3
292.07211	0.4
292.20291	0.3
293.07925	0.4
294.08682	0.4
295.22610	1.5
297.11017	0.4
305.08008	0.4
307.09552	1.0
309.10974	0.3
311.09137	0.3
319.09656	0.3
323.09146	0.3
325.10565	0.3
337.10632	1.8
351.25256	3.7
357.13129	1.7
369.13095	1.1
369.26346	6.3
387.14301	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	387.1434
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3',4'-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.96007	12.4
64.00681	13.2
71.33476	12.3
77.21127	13.5
79.05489	17.0
101.47034	13.5
107.04927	23.9
111.71668	14.5
114.90639	15.2
119.04953	15.8
131.04919	62.2
137.05965	100.0
151.03847	28.5
167.07033	67.5
175.07568	15.7
207.06490	28.5
215.07057	19.4
231.07860	48.1
249.08980	17.5
276.07785	19.0
277.08456	22.5
287.06979	18.5
300.91254	15.2
304.07242	16.8
305.08032	67.9
337.10699	69.9
351.12253	75.1
357.13284	33.8
369.13229	85.9
387.14160	96.3
387.21838	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	387.2374
Annotation	Rhodomollein XIV
Peak:m/z	Relative Intensity
50.15212	1.3
55.05519	1.3
58.57180	1.3
62.47190	1.3
67.05524	1.9
67.23173	1.3
68.94012	1.1
69.07046	1.6
70.71019	1.1
71.13837	1.1
79.05473	2.0
81.07047	6.5
83.04985	1.3
89.29924	1.5
91.05550	1.6
92.17378	2.1
95.08598	6.8
99.53404	1.3
107.04952	1.7
107.08595	2.0
109.06492	2.1
111.04434	10.0
117.41879	1.4
119.08511	1.6
121.10113	2.2
123.74238	1.6
125.06030	1.9
133.10133	2.0
137.05974	100.0
145.10124	1.6
147.04402	1.6
147.08028	1.9
147.11630	2.5
149.80606	1.5
161.09612	3.2
161.81584	1.4
163.11185	1.7
167.06978	2.4
175.11267	2.0
176.87482	1.3
181.04910	5.6
186.04420	1.4
203.18021	1.9
213.16316	2.5
231.17412	2.1
249.18471	2.1
277.17975	15.3
295.18985	2.3
351.21588	29.5
387.14291	8.9
387.21420	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	387.2736
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
55.05508	12.1
56.47158	5.4
57.03429	13.6
60.95571	4.8
63.79891	5.6
67.05483	43.4
69.03432	9.4
69.07064	48.6
71.08607	26.1
75.77846	5.6
79.05486	35.0
81.03426	9.6
81.07038	73.5
83.04981	7.9
83.08606	23.2
85.06532	7.2
85.10187	41.3
91.05475	23.7
93.07027	35.4
95.04953	7.4
95.08592	95.3
97.06528	14.4
97.10139	23.9
97.30904	6.6
99.08080	31.2
105.07021	24.6
107.08583	34.9
109.06501	6.8
109.10145	26.4
113.09630	24.3
119.08580	21.9
121.10130	57.3
121.13338	6.7
129.06979	6.2
131.08577	13.6
133.10071	13.4
135.11630	9.8
139.11189	29.5
141.12662	45.2
143.08388	6.0
145.10126	7.7
147.11699	31.4
149.09590	8.8
149.13341	6.7
151.11194	12.8
159.11621	7.1
161.13174	10.7
165.12753	26.1
175.01489	11.8
183.13554	6.1
185.11613	11.7
204.56836	5.8
259.15344	8.8
259.20419	7.1
277.21530	100.0
295.22629	63.8
351.25333	34.9
369.26315	78.4
387.27463	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	387.2738
Annotation	Trihexanoin
Peak:m/z	Relative Intensity
55.01859	7.1
55.05509	17.8
57.03435	27.7
58.06598	2.5
67.05501	64.7
69.03407	3.3
69.07079	22.5
71.04967	4.2
71.08614	12.5
73.02903	3.2
75.04457	3.2
79.05482	29.8
81.07050	76.5
83.04974	5.2
83.08630	27.2
85.06545	5.3
91.05477	21.5
93.07033	42.9
95.04981	5.1
95.08586	40.3
97.06499	13.2
97.10148	4.9
99.08081	13.8
105.07038	14.2
107.08575	28.3
109.10139	63.4
109.95658	2.8
111.08067	6.2
114.83240	2.9
116.04700	12.9
119.08575	19.8
121.10136	26.8
123.11693	13.2
125.09661	4.5
129.05463	73.2
131.08577	5.5
133.10121	12.9
135.11688	12.1
137.09500	3.5
143.06996	6.3
147.11659	4.4
149.13275	16.8
159.11670	6.2
165.12715	3.0
173.11725	20.5
174.80183	3.6
185.11707	20.5
227.99118	3.5
229.14343	23.8
239.16373	4.2
253.17978	4.4
259.15683	4.4
269.17456	33.5
277.21524	5.1
289.36826	3.4
295.24545	5.6
369.28152	13.3
387.27277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2733
Annotation	Dolabriferol
Peak:m/z	Relative Intensity
55.05495	26.9
57.03427	5.0
57.07073	85.2
61.85321	4.5
65.96703	5.1
67.05490	49.6
69.03416	73.2
69.07054	67.3
71.04976	8.3
71.08617	50.6
79.05462	7.0
81.03403	95.0
81.07044	100.0
83.08601	33.7
85.02896	60.6
85.10168	40.0
92.17287	12.6
93.07018	10.9
95.08594	88.5
97.02869	48.0
97.10158	31.5
99.04453	6.0
107.08574	8.9
109.02874	45.9
109.10142	60.6
111.11701	22.5
119.08578	7.3
121.10120	8.2
123.11667	21.4
127.03887	37.7
135.11638	5.7
137.13196	8.1
145.04927	21.8
146.91801	8.3
207.90872	6.4
225.22084	10.1
278.21863	6.3
352.25558	31.6
369.26239	81.3
387.32178	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	387.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97297	2.5
53.55927	2.9
57.07056	20.0
61.01128	4.1
67.05484	2.9
68.54642	3.9
69.07057	3.7
71.08614	17.2
72.04498	26.9
78.03783	20.4
81.07061	5.3
83.08602	5.6
85.10171	5.7
95.08581	19.2
97.10184	3.9
102.03769	50.6
109.10149	13.7
120.04775	5.5
131.06380	18.5
132.04788	26.1
149.07411	70.4
221.18268	3.3
239.23717	7.9
252.11598	3.8
267.78964	3.9
310.27267	31.2
387.30338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	22.3
64.98270	9.9
67.05498	16.5
69.07065	100.0
71.08617	18.6
81.07030	47.2
83.08620	48.9
92.09749	12.7
93.07048	16.9
95.08607	25.5
97.06537	29.0
107.08575	53.0
109.10142	20.2
121.10126	16.6
123.11707	15.9
135.11697	63.7
153.12747	73.0
163.14847	23.0
171.13745	22.5
181.15866	26.7
199.17021	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	388.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87791	0.4
73.02895	0.6
85.02898	4.0
85.76777	0.5
86.09698	0.7
92.04979	0.9
95.01314	1.9
97.02892	0.5
103.03918	0.9
112.51028	0.4
113.02356	1.7
120.04440	100.0
131.03366	0.9
134.05957	1.0
141.01808	7.3
146.98051	0.4
162.05492	1.8
194.08095	12.9
194.46738	0.5
198.05457	4.0
198.07318	0.4
212.09129	13.9
242.04391	0.5
268.50854	0.4
296.07431	0.6
339.98230	0.4
370.11252	0.7
388.12250	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	388.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60351	1.7
55.05494	3.2
55.97483	1.7
57.03432	2.0
60.04514	3.8
67.05492	14.2
69.07047	11.2
78.57885	2.0
79.05475	4.9
80.30284	2.0
80.53549	1.8
81.07064	20.4
83.04936	2.0
83.08595	8.7
85.61638	2.3
89.06075	2.5
91.05480	2.8
93.07023	15.6
95.08594	16.8
97.10156	4.9
105.06959	7.4
107.08566	13.2
109.10150	27.5
112.06855	1.8
112.07560	16.3
112.99161	2.1
119.08557	12.6
121.10133	13.3
122.93160	2.4
123.11651	2.9
125.09639	3.7
125.25803	2.1
131.08507	3.9
133.10117	10.3
135.07999	19.2
135.11649	14.9
145.10088	2.9
146.09596	2.6
147.08028	50.7
147.11658	18.8
149.09595	4.8
152.10693	3.1
159.11649	4.4
161.09621	15.1
161.13222	65.1
163.11111	4.1
171.11598	7.8
178.29138	2.5
188.14319	18.6
195.11661	2.4
199.11212	2.9
211.14989	2.0
241.19557	2.4
251.17894	8.9
255.17403	2.7
261.21964	2.3
269.18945	89.2
278.19083	3.5
279.17383	3.4
279.23169	8.2
286.21567	4.4
296.20038	28.5
311.14023	2.0
328.22665	100.0
353.26746	24.1
371.22598	2.4
388.24768	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.2
57.03435	5.1
57.07058	3.8
67.05499	40.7
69.07064	20.6
71.08612	16.6
75.04450	2.3
77.65983	2.6
79.05474	12.8
81.07047	53.0
83.08582	9.5
85.73241	2.4
89.06004	6.4
91.05455	5.2
93.07017	16.9
95.08585	45.9
96.03389	3.1
97.10134	11.7
98.12311	3.0
99.08060	4.3
105.07034	3.7
107.08566	22.5
109.10155	24.3
110.95612	2.8
111.89950	2.6
113.09568	3.0
119.08558	3.6
121.10137	16.4
123.11706	6.5
126.46723	2.7
129.05524	3.4
131.08525	4.7
133.10114	2.8
135.11688	19.4
137.13245	4.9
139.00325	3.0
145.10110	3.8
147.11659	11.7
149.13213	6.7
153.12674	3.1
169.38887	2.6
173.13191	3.3
209.73920	2.6
211.78194	3.1
227.12871	3.5
229.14301	3.1
243.21046	3.6
250.37250	3.2
261.22174	6.3
278.24823	3.9
279.23129	16.2
353.26779	100.0
371.27774	10.8
388.31247	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	389.1222
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
50.59322	1.9
51.28988	1.5
51.30294	1.7
56.22329	1.6
69.32892	1.6
71.01340	4.7
77.94213	1.7
79.05473	2.4
91.05475	4.0
95.04966	9.7
103.03957	2.6
103.05453	11.2
107.04961	4.8
114.09135	7.5
119.04955	2.9
121.06493	4.6
123.04402	21.5
125.05983	7.1
127.03929	3.3
131.04877	4.3
133.02831	2.1
135.04391	14.0
137.05942	3.3
146.03638	4.4
147.04372	18.1
149.05980	10.2
150.06729	11.7
151.02644	3.6
151.03879	100.0
151.04991	6.6
153.05429	18.9
161.05974	4.1
163.03865	8.1
165.05475	2.5
167.06952	2.4
177.05441	16.4
178.06221	83.9
193.04866	17.7
194.05638	2.8
195.06482	18.9
196.07256	28.6
219.06462	4.4
237.07558	3.3
284.55627	1.9
297.77008	2.3
371.11163	2.6
389.12161	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	389.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.7
55.05498	17.9
57.03426	6.7
57.07070	5.1
62.69878	2.5
67.05173	4.5
67.05496	74.2
69.07053	51.5
71.04977	5.2
71.08623	3.8
77.25970	3.1
79.05482	28.6
81.07050	100.0
83.04945	3.7
83.08597	14.5
85.06533	4.6
85.13997	2.7
92.21515	3.1
92.32848	3.1
93.07021	36.5
95.04935	5.2
95.08594	82.5
97.06499	15.8
97.10160	17.6
105.07004	4.8
107.08574	34.3
109.10130	50.9
111.11690	2.9
117.07050	4.2
119.08559	6.0
121.10110	37.1
123.08084	3.1
123.11701	15.7
125.09628	11.7
131.08516	7.2
133.10107	5.4
135.08044	3.5
135.11687	24.6
137.13203	12.2
139.11168	6.6
145.10112	4.7
147.11670	6.9
149.13211	6.3
159.11699	5.1
163.14746	12.4
165.12732	5.1
173.13226	11.9
243.20998	6.2
259.15317	3.2
261.22058	17.7
279.23181	43.3
353.26788	76.7
371.27899	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	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.67790	0.5
56.42982	0.5
57.03429	0.6
58.41395	0.4
65.71101	0.6
69.03429	9.7
71.04995	0.6
72.74063	0.5
78.03442	3.2
81.03418	14.3
84.04498	2.1
85.02895	10.4
86.09696	0.9
87.04465	2.1
96.04461	0.6
97.02883	4.3
99.04439	2.9
106.02906	53.1
109.02866	13.0
120.97363	0.6
124.03939	100.0
127.03915	7.8
129.10229	2.0
130.04964	0.6
139.68600	0.6
140.07066	0.5
166.04974	0.9
172.04308	1.0
184.17528	0.7
228.08601	10.7
232.06140	0.8
250.07040	9.5
252.79672	0.5
268.08105	35.7
390.13928	29.8
390.21497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81782	3.0
55.05492	4.8
57.07065	17.7
67.05479	15.9
69.07041	17.0
71.08602	28.4
81.07048	26.9
83.08604	19.2
90.38850	3.4
91.05454	4.7
92.53807	3.4
93.07033	4.3
95.08582	35.6
97.10129	18.6
107.08578	5.2
109.10143	13.6
111.11683	3.7
121.10175	3.4
121.74661	3.5
123.11671	7.8
133.10057	6.3
141.12665	6.6
147.11714	4.1
165.16325	4.3
187.32158	3.4
245.22610	7.0
263.23676	16.4
274.66843	3.5
281.24734	4.7
299.25830	4.9
355.28354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3721
Annotation	Filfiline
Peak:m/z	Relative Intensity
51.06829	2.8
54.44378	2.5
57.40407	2.6
61.35304	2.6
127.48175	3.5
238.14970	3.2
262.07080	3.5
308.29407	100.0
390.37131	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	391.1383
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
56.17891	0.9
57.07065	6.9
61.02911	1.6
62.88412	1.1
71.08629	8.3
91.05435	2.3
95.64478	1.0
105.06977	1.3
107.04933	1.8
109.06497	2.6
119.04929	1.2
121.06532	4.1
123.04380	1.2
130.06500	4.3
130.58292	1.1
131.04941	5.6
133.06487	1.8
135.04391	1.5
137.05965	100.0
147.04414	1.7
149.02330	73.2
149.05948	18.6
151.03889	2.4
151.07533	5.8
159.38976	1.1
161.05956	27.5
163.07542	2.3
165.07172	1.1
165.08917	1.3
167.03386	7.5
170.67970	1.0
172.40303	1.2
174.01498	1.1
177.05540	1.3
179.06947	1.7
181.06416	1.9
189.05458	1.4
192.17545	1.2
193.04973	2.1
193.06616	1.4
193.08557	1.4
195.08080	1.2
203.06992	4.7
203.55904	1.1
207.08182	1.8
209.05980	1.6
210.06819	2.3
211.09528	1.4
213.09012	9.5
221.06009	5.4
222.06815	5.2
223.07509	4.3
225.07100	1.1
225.09009	9.2
235.07491	1.9
236.04662	1.4
238.06206	5.0
239.10651	1.5
240.07805	2.7
241.08607	11.7
249.09077	4.7
251.07008	4.3
253.08510	31.9
262.06479	1.2
264.07559	1.2
265.08588	6.4
267.10150	2.3
268.07297	4.4
269.07974	1.5
270.08701	2.1
273.11142	15.1
277.08524	4.0
279.06534	2.2
280.07224	1.6
283.09537	12.4
285.11160	17.6
293.08075	6.7
295.09659	4.1
297.11023	1.4
299.09116	9.3
305.08136	2.0
311.09180	13.8
315.08624	6.2
323.09119	1.2
325.10706	5.1
327.12146	1.8
337.10638	4.3
341.10138	7.0
343.11536	2.6
355.11694	7.5
361.12714	11.9
373.12848	21.0
391.13831	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	391.1383
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
50.25397	1.2
50.53230	1.4
51.90826	1.6
57.07066	6.8
68.89555	1.5
70.91354	1.5
71.01343	7.0
71.08609	5.7
74.19298	1.2
79.05470	3.0
82.20200	1.5
83.49145	1.4
93.07014	1.7
95.04933	3.4
107.04949	15.6
121.06477	8.1
123.04398	3.5
125.05970	3.7
133.02849	2.6
135.04375	16.5
137.05956	16.0
146.03638	1.5
147.04454	1.7
149.02324	68.0
149.03476	2.7
149.05951	82.6
151.03880	100.0
153.05444	13.7
161.05928	24.9
163.03883	6.7
165.05449	6.3
167.03308	3.6
167.07027	7.9
175.07533	2.4
177.05389	10.4
178.06227	31.2
179.07011	12.5
189.05441	6.8
195.06503	34.6
196.07207	10.9
203.07010	9.4
221.08073	10.6
222.06918	1.5
283.09680	5.4
339.35699	1.5
341.10037	2.2
343.11752	3.5
355.11710	2.9
373.12674	3.1
391.13763	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	391.1378
Annotation	Prinsepiol
Peak:m/z	Relative Intensity
57.07055	6.1
61.02910	2.2
70.06564	1.4
71.08608	8.2
73.58038	1.3
78.69873	1.1
86.09685	29.0
95.04933	1.3
101.07187	1.3
102.05558	1.3
105.06940	1.6
109.06523	1.1
119.04919	2.0
121.06470	5.7
131.04860	1.9
131.11784	4.9
134.03577	2.0
135.04337	1.5
137.05945	100.0
138.47850	1.2
147.04395	8.3
149.02301	61.3
149.05942	38.1
151.03799	2.2
151.07529	2.8
159.04367	1.9
161.05936	8.6
163.07513	2.2
165.05484	1.6
167.03326	5.6
175.03760	1.4
177.05504	1.7
179.06909	10.2
181.06364	2.2
189.05453	2.2
191.06963	6.4
193.04935	9.8
201.05344	1.8
202.74203	1.4
207.06412	4.9
211.60179	1.4
213.08981	8.4
219.06519	1.5
221.06006	1.7
225.09061	2.7
241.08551	8.1
242.14987	7.3
253.08578	2.6
265.08453	2.1
273.11139	10.9
279.06625	1.4
283.09558	6.0
285.07587	1.4
285.10889	4.1
298.39911	1.5
299.08969	10.6
311.08978	6.5
325.10635	4.5
329.10156	8.4
343.11880	3.0
373.12579	4.7
387.77518	1.4
391.09238	2.2
391.13861	53.1
391.19162	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	391.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71278	2.2
55.05507	6.0
57.07055	12.2
59.04190	2.1
63.44275	2.0
70.27802	2.3
71.08626	2.4
72.08145	75.4
82.93929	2.8
84.04485	25.6
85.52679	2.3
97.59761	2.3
101.07108	4.5
111.05707	2.4
118.06514	53.9
120.05251	2.4
129.06601	4.7
130.04973	63.5
137.05931	2.9
146.06009	4.5
147.07622	76.2
149.02322	100.0
167.03307	5.7
174.05484	3.3
178.51566	2.5
186.09155	12.6
187.96127	2.6
228.10152	17.8
245.12794	11.7
275.30612	2.7
292.12900	24.1
323.35074	3.1
337.63846	2.6
391.09781	11.3
391.19791	3.6
401.90021	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	392.2171
Annotation	Leu-Pro-Tyr
Peak:m/z	Relative Intensity
57.07076	1.3
58.06581	5.7
60.08157	82.9
62.95757	1.0
68.07369	1.2
69.07057	15.3
71.08609	1.6
72.08131	1.7
76.27362	1.2
78.85041	1.4
81.16048	1.1
87.31007	1.1
94.06567	5.0
96.17660	1.0
97.06513	11.6
100.74828	1.2
114.09135	2.2
120.04449	6.4
136.07538	6.9
146.05978	26.6
148.03886	5.0
149.02295	17.1
150.02647	6.4
161.28468	1.1
164.07101	1.5
174.05452	20.0
190.85529	1.4
192.06500	11.7
202.04984	5.0
203.44614	1.1
220.05923	1.9
331.18820	1.2
392.21689	100.0
419.53229	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	393.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28819	1.3
53.00349	1.4
65.03925	3.1
67.14342	1.5
69.96101	1.7
71.01347	2.2
72.54865	1.7
77.19490	2.0
77.28303	1.6
79.05476	2.9
95.04956	2.5
107.04937	3.7
111.04439	7.9
115.70319	1.7
118.04085	1.6
123.04363	7.1
125.05926	2.7
135.04373	10.6
137.02251	1.9
137.05934	3.5
141.05453	1.7
147.04381	2.3
149.05951	2.7
150.06717	7.7
151.03870	100.0
151.04895	3.5
153.05449	9.7
165.05467	2.0
167.07089	2.7
168.90530	1.6
173.02991	1.9
177.05481	8.3
178.06201	46.5
193.04901	2.8
195.06485	10.3
196.07234	14.4
197.04442	21.2
231.06598	2.5
241.06976	8.4
268.47009	1.7
393.11722	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	393.153
Annotation	Massoniresinol
Peak:m/z	Relative Intensity
55.01862	1.8
56.27691	0.9
57.31111	0.9
65.95100	1.0
66.05677	0.9
67.14129	0.9
73.02905	34.5
102.62057	1.0
104.88800	1.2
110.03656	2.0
111.04404	2.2
124.03915	1.2
125.05956	31.8
130.04987	1.0
137.05986	4.8
147.04472	1.3
149.05952	1.5
151.03880	100.0
151.07486	2.4
166.08611	1.0
177.05371	1.3
179.07002	31.8
197.08058	64.2
204.08774	6.0
212.92946	0.9
216.08774	59.5
216.10829	2.3
217.53438	1.1
226.07318	1.1
230.10359	5.2
240.08734	27.8
246.09755	6.0
258.09836	1.5
264.52072	1.1
268.08197	4.6
272.11511	4.1
283.09195	1.9
300.10846	26.7
361.12433	1.3
375.14099	4.6
393.15149	37.1
393.20792	5.8
396.37015	1.1
410.80750	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	393.2047
Annotation	Lincomycin B
Peak:m/z	Relative Intensity
70.06582	0.2
74.74758	0.1
82.06548	0.2
83.07355	0.1
97.02885	0.2
112.11226	100.0
112.57053	0.1
116.07041	0.2
116.09460	0.1
120.08060	0.2
151.35562	0.1
158.11848	0.2
210.32234	0.1
276.28436	0.2
300.01257	0.1
303.19086	0.2
309.18137	0.2
345.20099	1.8
368.73294	0.1
375.19553	0.5
393.20569	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	393.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67377	0.1
56.27118	0.1
56.90675	0.1
57.06816	0.5
57.07065	4.3
57.07329	0.2
61.48348	0.1
87.15909	0.1
88.40245	0.1
126.05478	0.4
126.24006	0.1
129.02151	0.1
142.83305	0.1
151.89235	0.1
168.36688	0.1
169.63321	0.1
209.12799	4.0
210.11165	0.5
218.12845	0.7
219.11205	0.2
275.17389	1.4
292.20151	4.9
293.18515	7.6
302.18542	11.3
343.22504	0.1
358.24777	1.5
376.25851	100.0
393.28568	1.0
394.26880	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	393.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25306	0.6
55.05507	23.9
57.07068	20.9
66.67974	0.9
67.05489	3.1
69.07054	31.3
71.08613	6.7
75.94860	0.6
79.05468	1.2
81.07043	29.8
83.08603	100.0
85.10179	1.3
91.05457	4.2
93.07033	5.5
95.08589	7.5
97.10146	10.1
103.01069	0.8
105.06999	6.0
105.40958	0.7
107.08575	7.5
109.10130	6.1
109.41550	0.7
111.11740	0.8
117.06985	1.6
119.08562	1.1
121.10114	3.5
123.11671	1.5
123.92992	0.7
131.08531	3.7
133.10112	5.9
135.11696	3.4
139.14778	1.3
143.08511	1.1
145.10081	8.7
146.37506	1.0
147.11617	7.4
149.13182	1.2
157.10091	10.9
159.11673	7.8
161.13202	3.2
171.11674	3.6
173.13271	3.0
175.14735	1.0
177.16400	1.0
183.11626	1.0
185.13240	3.4
189.16344	1.1
197.13255	1.8
199.14867	1.6
200.60922	0.7
201.16315	1.5
211.14775	1.7
213.16348	1.4
215.17911	0.8
225.16345	1.2
227.18022	0.7
239.17929	1.5
253.19467	3.9
267.20950	1.1
281.22696	1.4
295.24115	5.9
309.25784	3.3
393.21286	1.2
393.35114	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43613	3.8
55.05508	29.5
57.07067	10.5
67.05494	8.1
69.07061	39.2
71.08626	5.8
81.07049	35.3
83.08612	100.0
89.08125	4.5
93.07034	5.8
95.08604	19.1
97.10174	8.0
97.31898	4.3
132.85501	4.7
145.10156	5.6
146.26913	4.2
157.10094	8.3
159.11674	5.7
170.87891	4.5
176.81062	4.4
199.14789	5.1
217.76385	4.7
253.19580	8.2
295.24521	5.2
393.35181	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1633
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
52.53875	1.7
53.24319	2.2
55.01853	3.9
55.05156	2.1
58.99574	2.9
60.96819	1.8
62.99068	5.1
67.05483	2.4
69.06680	3.2
69.07050	75.3
74.00648	14.8
76.33131	1.9
83.19963	1.7
84.04482	41.5
88.02174	4.6
92.98893	2.1
101.04237	19.0
111.04400	2.1
112.03948	18.7
112.11224	15.6
113.11583	8.8
116.01643	36.8
117.03671	18.6
119.05257	40.6
127.05747	17.8
129.06590	16.9
130.04071	3.9
130.04973	70.8
144.01100	35.5
144.08379	3.0
145.06845	37.2
158.36868	2.4
162.02153	100.0
162.09470	4.9
174.02220	3.0
177.03391	7.5
184.71432	2.1
191.07428	3.4
230.08366	22.2
248.09381	45.5
265.12100	51.3
303.87793	2.9
319.13217	11.3
394.16351	44.8
394.20920	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	395.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29453	0.9
57.68231	1.0
65.08401	1.0
81.86803	1.1
89.03893	1.5
91.05450	2.3
103.75980	1.1
109.60296	1.2
114.01419	1.1
116.04945	67.2
117.05731	29.3
118.06534	5.5
121.71583	1.1
132.04431	6.5
133.05153	2.0
134.05997	17.9
145.02545	1.8
148.07542	100.0
159.96465	1.1
161.04726	1.5
170.06364	1.2
186.05208	33.2
188.54930	1.0
192.06535	14.2
195.44077	1.1
204.06273	4.2
239.38042	1.1
294.11789	1.2
354.17279	1.8
395.12042	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	395.1884
Annotation	triamcinolone
Peak:m/z	Relative Intensity
71.01325	3.2
74.50695	1.2
81.72387	1.5
83.04958	6.1
95.08584	2.5
97.06522	1.5
105.06988	1.7
107.08562	2.4
107.24604	1.5
109.06554	1.5
109.10135	3.5
119.08527	7.5
121.10113	9.3
131.08569	2.7
133.10091	7.5
135.08026	1.8
135.11700	2.0
137.09593	2.3
147.07967	1.8
147.11664	1.8
156.63509	1.4
157.10110	6.6
159.11595	1.8
161.09509	1.7
161.13165	1.9
169.10022	2.4
171.11659	19.3
183.11646	6.8
185.13240	2.6
186.13997	1.6
187.14806	1.9
191.08878	1.7
197.13203	2.8
199.14725	3.4
209.13263	6.6
211.14838	2.6
213.12677	2.4
223.07773	1.9
223.14708	2.3
235.07857	1.7
239.02405	1.4
245.09924	2.3
247.11435	12.0
251.17909	5.8
271.11383	1.8
277.12485	1.8
285.16742	2.1
287.14615	2.3
289.16254	3.4
299.14713	1.8
299.19904	2.3
305.15665	3.5
313.16122	26.9
321.18582	2.0
331.17215	14.4
341.15515	2.5
349.18256	15.9
359.16638	7.9
359.20535	2.3
377.17657	34.0
377.21634	1.8
395.18744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83375	1.3
55.05503	2.5
57.07048	8.7
65.68393	1.3
67.05488	6.3
69.07047	11.0
69.23732	1.6
71.08604	7.2
71.13746	1.4
79.05462	2.4
81.07044	25.3
83.08595	6.1
85.10152	3.9
93.07032	6.4
95.08574	13.2
97.10151	6.2
105.07040	8.3
107.08585	7.3
109.10136	10.4
111.11687	3.8
117.06976	2.8
119.08554	3.8
121.10128	3.7
122.90719	1.9
123.11707	2.3
131.08536	6.9
133.10100	12.3
135.11604	2.7
143.08743	1.8
145.10086	21.9
147.11665	10.8
157.10120	2.2
159.11659	15.0
161.13231	2.2
173.13246	3.2
183.61612	1.8
201.16280	1.7
206.84369	2.3
241.19476	4.0
329.03220	1.9
395.27667	100.0
395.36728	35.8
416.03583	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	395.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83658	2.3
53.17746	2.4
55.05497	3.3
66.80034	2.6
67.05482	19.3
69.07047	6.9
70.02930	5.9
74.02407	4.7
79.05485	6.0
81.07048	34.2
83.08604	6.1
87.05567	69.0
88.03967	100.0
92.73574	3.1
93.07021	12.5
95.04958	2.5
95.08585	23.7
97.10139	4.8
107.08583	5.7
109.10118	12.7
116.03440	6.0
119.08533	4.8
121.10121	6.8
131.08565	2.6
131.20804	2.7
133.06059	96.2
133.10063	6.0
135.11655	3.6
147.11600	3.7
151.93810	2.8
155.90433	2.8
161.13167	3.0
187.71867	2.7
263.23654	3.1
275.03839	3.1
298.19754	2.7
350.26816	10.9
378.26254	11.6
395.28754	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	395.3305
Annotation	14-Dehydroergosterol
Peak:m/z	Relative Intensity
55.05507	3.2
55.37624	2.2
57.07063	14.0
67.05500	4.8
69.06705	4.2
69.07063	100.0
81.07038	16.0
83.08622	28.1
85.10149	2.8
93.07010	5.1
95.08599	14.0
105.07006	2.7
107.08579	4.3
109.10159	5.1
119.08533	3.0
121.10145	9.0
123.11701	3.5
125.13264	9.8
133.10083	3.3
139.88597	2.2
143.08530	3.1
145.10104	2.7
147.11691	3.1
149.13202	3.4
157.10129	4.9
159.11725	5.1
169.09988	2.8
173.13243	3.6
185.13174	3.6
188.91745	2.4
197.13297	2.7
199.14830	4.6
211.14825	5.4
213.16458	3.6
223.14803	4.6
237.16248	3.2
251.17981	9.5
253.19536	3.9
266.80359	2.4
269.19080	2.8
293.22598	2.4
311.23685	4.5
377.31967	9.0
395.32651	41.5
395.36243	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	395.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57895	1.4
52.58120	1.5
54.23101	1.3
55.05499	8.9
57.07064	15.9
67.05486	15.7
69.07055	22.7
71.08618	13.7
79.05475	3.4
79.78910	1.8
81.07050	47.5
83.08612	14.6
85.10164	10.7
91.05442	7.8
93.07010	13.5
95.08578	27.2
97.10136	12.4
105.07008	14.9
107.08579	17.1
109.10161	17.2
111.11712	6.3
117.07010	11.1
119.08582	10.4
121.10113	7.3
123.11707	9.5
125.13232	2.1
126.37328	1.7
131.08543	13.1
133.10103	24.3
135.11679	6.8
137.13235	2.8
143.08531	2.7
145.10098	38.3
147.11658	20.1
149.13213	2.7
157.10121	7.2
159.11674	39.2
161.13223	8.0
163.14819	3.6
171.11705	1.9
173.13277	11.2
175.14864	2.3
185.13213	3.7
187.14870	2.9
199.14838	4.0
213.16443	3.0
215.18008	2.3
233.27885	1.8
255.21045	2.8
384.61444	2.0
395.36740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74206	5.9
53.46850	6.5
67.05488	8.8
69.07067	26.5
81.07056	77.2
89.40643	6.6
91.34395	6.4
92.17466	8.5
93.07024	18.7
93.97069	8.1
95.08582	49.5
105.07005	7.9
107.08582	34.7
109.10139	45.7
110.49918	9.3
111.85359	8.5
115.45311	8.3
121.10094	14.1
135.11655	9.6
136.05128	7.7
137.05959	100.0
138.06709	8.9
149.13225	11.8
174.10497	7.1
175.07491	30.4
177.09048	59.1
189.09114	12.9
191.10675	9.9
258.48352	7.3
396.30045	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	397.1638
Annotation	Predurallone
Peak:m/z	Relative Intensity
53.88409	0.5
54.59065	0.5
55.01859	0.6
62.79777	0.6
65.80052	0.6
72.70722	0.6
91.05457	1.3
92.16787	0.7
95.04926	0.7
96.00089	0.6
96.08092	0.7
103.05443	0.8
104.52066	0.6
105.06985	0.9
109.02883	0.9
114.09142	7.4
115.09504	0.9
119.04910	3.6
125.43931	0.7
129.07001	1.6
131.04944	0.9
131.08556	2.5
137.05951	57.9
141.06949	0.7
145.06494	1.4
146.02502	0.8
147.04382	2.5
149.05943	4.2
151.03894	0.7
151.07486	8.6
155.08534	0.8
157.06497	2.7
159.08072	3.0
159.59865	0.8
161.05898	7.9
161.09584	1.2
165.07066	1.0
171.07983	1.3
172.08792	2.4
173.24078	0.8
175.07538	3.5
182.07225	1.4
183.08003	1.3
184.08833	1.0
185.09532	5.2
187.07480	4.8
189.09070	1.2
191.06967	3.4
194.07169	0.7
197.09566	8.0
198.06767	6.7
199.07552	3.7
199.10989	0.8
200.08339	1.1
200.38959	0.7
201.09094	3.8
203.10652	1.2
207.83482	0.8
209.16490	0.7
210.06711	0.9
211.07541	1.3
212.08397	1.2
213.09074	20.2
215.10658	6.6
225.09071	5.7
228.07831	1.0
229.08414	1.0
231.08037	0.7
243.10117	12.6
245.11720	1.6
255.10109	7.8
257.09537	1.2
260.08517	0.7
261.09216	1.0
263.10800	1.1
269.09637	0.7
271.07294	1.0
273.11191	30.7
274.09818	1.4
275.10666	1.5
277.08536	3.0
277.11829	1.8
285.09033	3.2
286.10013	1.1
288.11459	1.0
289.08557	2.8
289.12241	3.6
291.10126	4.8
292.07437	1.1
292.10681	1.2
293.08252	2.3
293.11746	1.5
301.08618	1.2
301.12149	0.9
302.09296	1.0
303.10120	4.1
304.10834	1.1
305.11725	3.5
306.09021	1.0
307.09637	9.3
307.12982	1.0
308.10410	3.3
309.11032	0.8
317.11697	4.0
319.09680	2.7
320.10345	1.1
321.11227	7.5
325.10535	0.9
331.09683	0.9
333.11145	4.1
334.12039	1.4
335.12839	5.4
337.14462	0.8
339.12198	4.2
347.12772	1.0
349.14365	2.7
351.12308	5.0
354.14572	10.1
356.03125	1.0
361.14047	0.8
367.15527	1.5
379.15201	6.6
397.16388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1641
Annotation	Predurallone
Peak:m/z	Relative Intensity
85.04908	1.4
96.08092	2.2
101.80154	1.5
105.07029	1.6
109.06531	1.5
111.31597	1.5
114.09137	12.7
116.65907	1.3
124.31311	1.7
135.04384	1.6
137.05963	56.3
147.04419	1.6
149.09628	1.4
151.07599	2.6
155.08578	5.3
161.05920	3.3
171.08070	2.2
177.05438	2.7
183.08061	2.9
189.09038	2.2
203.10751	2.0
213.09148	3.0
229.10089	1.8
229.12489	1.7
245.09525	2.5
257.09625	2.5
258.10474	2.0
274.10153	1.7
277.12173	6.9
285.08994	2.4
293.12067	1.4
303.10226	2.3
305.11682	3.6
313.08609	1.5
317.11548	2.2
318.12631	2.9
321.11163	2.3
329.11536	2.2
333.11130	7.0
335.12848	6.3
351.90729	1.6
367.15652	2.0
379.15631	5.2
397.16391	100.0
397.30292	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	397.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.5
54.54991	1.4
55.05511	2.8
57.28400	1.2
59.47062	1.2
69.03420	8.0
70.06584	1.5
73.02927	1.5
73.06559	17.6
73.06911	2.0
76.55834	1.4
81.03408	5.9
85.02906	64.1
85.48670	1.3
96.05289	1.3
97.02872	16.7
99.04462	27.6
101.06017	9.8
101.54326	1.3
103.03944	88.2
109.02870	14.4
111.09432	1.4
121.10310	1.6
127.03914	100.0
143.63518	1.4
145.04955	25.3
148.74263	1.4
163.05962	11.2
169.04692	1.6
171.24486	1.4
187.05992	2.3
189.14285	1.4
191.06963	2.2
192.07274	1.6
205.07027	1.7
232.27240	1.7
259.11737	12.6
271.08075	4.9
296.14105	1.5
307.10162	2.7
361.14780	2.7
379.15875	2.7
393.16513	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	397.204
Annotation	9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
62.21410	3.2
90.90971	3.5
93.06969	4.5
97.23534	2.9
105.23853	3.2
109.10126	7.0
115.89880	3.4
121.10107	4.2
123.08051	3.5
128.94543	3.4
137.65681	4.1
147.04337	6.2
157.10139	3.9
160.46498	3.3
161.09566	4.1
171.11702	4.7
183.11623	16.5
199.14861	4.1
207.11539	3.5
249.09349	5.8
251.69133	3.7
259.11484	15.2
271.30151	3.5
297.16504	5.9
307.28503	4.1
315.17703	15.8
325.16162	5.8
343.17258	20.6
355.18591	7.2
356.19089	100.0
360.78934	3.8
361.18134	25.3
379.19415	30.5
397.12686	6.8
397.20325	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3056
Annotation	Bengamide K
Peak:m/z	Relative Intensity
51.31667	4.1
51.31916	4.3
51.92242	4.2
54.28959	4.9
54.69547	4.5
55.05534	6.9
57.07062	8.2
65.42839	4.4
67.05515	10.4
69.03462	6.0
69.07082	6.3
70.02959	7.3
71.08640	9.5
72.37959	4.8
75.85928	4.9
76.30605	4.5
80.78444	4.5
81.07081	32.8
85.10197	5.5
85.30926	5.4
87.05588	72.9
88.03994	100.0
93.07056	8.0
95.08606	24.6
95.83028	5.1
107.08606	5.9
109.10186	10.9
116.03447	7.0
116.82011	4.9
119.08593	21.2
121.06524	9.1
121.10116	7.0
125.33827	5.4
133.06071	76.8
146.59314	5.4
151.38112	5.4
154.47537	5.4
157.10129	6.4
158.36584	5.2
159.11755	8.8
200.53746	5.1
271.15442	9.8
380.28009	31.1
397.30783	26.5
420.93082	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	397.3462
Annotation	Ergosta-4,22-dien-3-one
Peak:m/z	Relative Intensity
55.05517	3.4
56.05055	1.3
56.38349	0.9
57.07068	5.8
58.65215	0.8
60.04517	1.0
62.87331	0.8
67.05515	5.7
69.07066	8.8
71.08626	7.6
77.01019	0.9
79.05483	2.1
81.07056	43.5
81.07510	2.3
83.08620	4.2
85.10155	1.7
93.07048	6.8
95.08607	17.2
97.10172	5.6
98.09669	1.0
105.07014	5.0
107.04937	8.2
107.07994	1.0
107.08567	8.6
109.10146	10.3
111.08102	1.1
119.08562	8.5
121.10138	6.1
123.11709	5.1
127.11161	1.4
129.36969	1.0
131.08595	1.5
133.10159	1.5
135.11711	4.3
137.13229	1.2
139.19885	1.2
143.08545	1.9
145.10092	4.0
147.11739	4.4
148.48218	1.1
149.13274	4.1
157.10110	6.4
159.11674	4.7
161.13283	2.3
167.99217	1.0
173.13239	1.3
175.11276	1.1
177.16486	1.1
185.13251	1.2
187.14926	1.4
189.94481	1.1
211.14954	1.1
246.01118	1.2
247.24107	1.2
252.18765	1.1
285.18478	5.1
296.25842	2.2
337.28699	1.1
338.26990	6.4
355.26028	6.0
379.33893	2.3
397.26877	9.6
397.30798	7.4
397.34750	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	398.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30396	0.5
55.05508	1.0
55.12726	0.5
55.90722	0.5
56.01434	0.5
57.03427	4.0
57.06796	1.0
57.07068	18.9
59.47010	0.7
62.06085	21.8
67.05490	3.9
69.07037	1.2
71.08618	11.9
81.07040	4.7
83.08597	3.8
85.06533	0.7
85.10166	8.9
89.06023	1.2
95.08585	12.8
97.10142	0.9
98.98446	2.6
101.08336	0.6
103.07549	1.2
108.39198	0.6
109.10148	7.7
114.84666	0.6
115.75823	0.6
123.11667	1.1
124.01585	0.8
125.60063	0.7
140.54356	0.7
154.79301	0.5
155.01019	6.4
159.43504	0.6
183.17375	5.1
201.18484	2.2
216.06255	1.2
226.21645	10.5
257.21051	100.0
268.87292	0.6
328.78400	0.6
337.17697	6.6
357.20328	5.0
380.21838	19.4
398.22922	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	398.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	7.4
70.06576	27.9
70.07168	1.4
71.08614	3.7
77.32506	1.4
78.69550	1.4
81.37666	1.5
84.27054	1.6
86.06054	3.4
92.17434	3.3
95.08581	3.5
114.05503	20.0
114.09149	25.6
142.08601	67.8
144.62708	1.6
160.09647	100.0
215.72008	1.6
229.27226	1.7
247.84135	1.6
280.61993	1.7
297.24771	1.7
297.27838	10.2
357.56519	1.8
383.47794	1.8
398.32574	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	399.2886
Annotation	Strongylophorin 23
Peak:m/z	Relative Intensity
51.47108	1.6
52.27708	1.9
55.24894	1.8
57.03431	20.8
57.07073	1.8
62.83934	1.8
65.73874	2.2
67.05484	2.3
71.08642	2.2
81.07048	22.2
81.73827	2.2
85.06538	10.5
86.64050	2.0
92.17161	4.8
93.07027	13.9
95.08578	5.1
101.06020	1.9
105.07043	2.3
107.08585	10.1
109.06520	2.7
109.10158	4.0
113.09609	26.9
119.08560	3.5
121.10125	9.8
133.10107	10.3
135.11664	2.6
145.10104	10.8
147.11626	3.9
157.10034	4.4
159.11668	4.0
161.09595	4.0
161.13219	3.6
163.11113	2.9
173.09586	10.4
175.11147	10.3
175.14795	4.9
185.13261	2.6
189.16324	4.5
191.10629	4.2
201.16350	2.6
209.13191	3.9
251.18086	3.1
269.18719	3.0
286.39871	2.1
299.18674	14.6
315.18170	3.9
315.23050	2.4
317.19601	42.1
335.20648	50.0
339.23975	4.8
340.21225	3.6
345.25305	2.1
357.24731	32.2
358.22278	2.9
363.26678	4.8
381.27844	26.0
399.24030	4.2
399.28885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.325
Annotation	(25R)-26-Oxocholest-4-en-3-one
Peak:m/z	Relative Intensity
69.07055	2.9
71.04971	3.9
76.60332	2.0
79.05460	4.4
81.07054	10.1
83.04967	2.9
84.33305	1.9
92.66339	2.5
93.07018	4.9
95.08582	8.8
97.06511	74.0
101.28351	1.9
103.60303	1.7
104.52605	2.2
105.07013	3.2
106.78844	2.4
107.08565	9.8
109.06492	89.1
109.10129	8.6
119.08608	4.5
121.06472	2.7
121.10113	5.0
123.08038	5.0
123.11703	3.3
125.61732	2.4
127.11159	3.1
127.29009	2.1
131.08629	2.7
133.10126	3.6
135.11691	4.3
145.10130	2.5
147.11649	3.9
149.13243	3.5
159.11667	4.7
161.13217	2.8
190.30652	2.2
199.14832	2.7
213.16368	2.6
242.24651	2.9
381.31647	9.2
399.32516	100.0
409.75980	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	400.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89403	0.3
55.01859	0.7
57.03434	1.3
58.45740	0.3
60.31208	0.3
69.03419	1.9
73.02893	0.6
82.31819	0.3
85.02895	1.9
87.97571	0.3
97.02877	2.0
101.92193	0.3
115.03939	0.8
117.05558	0.4
127.03966	0.4
129.11345	0.3
133.04941	1.3
135.96397	0.3
136.06180	100.0
160.07565	0.6
161.07922	0.5
186.01967	0.3
268.10370	6.4
400.14621	13.3
408.62933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1223
Annotation	Thymusin 6-isobutyrate
Peak:m/z	Relative Intensity
89.03881	1.2
95.08591	1.8
97.06496	1.4
109.10159	1.2
117.03349	12.4
145.02817	100.0
149.05928	2.9
155.56470	1.3
171.06453	1.4
177.05428	93.8
181.04910	51.5
189.16562	1.2
221.38112	1.3
238.28714	1.2
265.27768	1.2
294.98236	1.2
360.14771	2.5
390.64926	1.3
401.12207	69.4
401.26706	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	401.1593
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.05675	5.1
52.69491	5.5
57.03416	6.5
66.05537	4.9
71.04968	6.2
72.64594	5.8
81.07018	11.7
95.04951	7.6
105.07072	7.2
107.04948	13.4
107.08621	6.5
109.10146	6.4
137.05983	24.7
158.22879	7.1
159.08060	7.4
165.05417	8.7
167.07024	48.1
181.04956	6.7
215.45779	7.6
247.07384	6.5
247.09714	7.6
248.89868	6.3
250.49002	5.6
269.08151	7.9
276.07788	6.5
277.08551	7.6
279.10187	9.5
291.10361	6.3
307.09619	23.4
308.10596	7.6
315.08627	87.5
330.10852	79.2
337.10876	9.9
338.11560	13.2
339.12262	11.1
351.12393	14.2
353.10001	10.0
365.13788	25.0
371.14703	11.2
380.20215	6.8
383.14813	100.0
401.16031	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	401.1593
Annotation	Gomisin R
Peak:m/z	Relative Intensity
51.23742	2.0
52.15958	2.3
52.28697	2.0
54.23652	2.3
64.88363	2.0
79.05483	4.4
86.09687	6.5
104.10751	4.9
105.11061	3.7
106.02923	3.3
107.04955	23.1
108.57784	2.5
109.34266	2.4
123.53495	2.7
145.06499	4.3
159.08041	4.5
161.05913	3.4
167.07013	58.4
172.30380	2.8
180.18379	3.4
184.07347	11.0
187.07492	4.3
190.27739	2.9
204.07889	3.3
205.08626	11.5
217.08624	17.1
229.08763	3.7
231.08072	4.3
247.07434	6.5
247.09715	3.4
248.08203	9.9
251.10587	3.8
262.09872	2.7
263.10574	6.6
264.07874	3.3
269.08151	3.7
271.09732	4.7
275.07071	4.1
276.07742	12.4
279.10074	5.3
282.08817	5.6
291.10229	17.5
293.07990	8.9
307.09720	6.0
310.08459	12.3
315.08557	100.0
319.09525	4.8
323.12711	6.4
328.09305	4.4
330.10928	65.5
331.11780	3.5
336.10068	3.4
337.10629	6.0
339.12238	4.5
340.26071	3.2
343.11871	20.4
351.12216	14.3
352.12836	4.2
353.10052	19.2
368.12598	4.1
369.13364	3.8
371.15115	4.8
383.10388	5.1
383.14899	72.7
401.16028	39.5
401.20886	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	401.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50172	2.1
52.85933	2.5
57.60961	2.9
58.08804	2.3
58.18152	2.8
63.10916	2.3
70.06568	6.3
81.07040	12.4
81.89719	2.6
85.07645	3.2
87.05578	94.0
87.09215	100.0
95.08567	4.0
97.06505	3.8
100.03188	2.7
103.84521	2.8
121.06484	4.3
123.11698	5.9
145.41856	2.9
149.09644	5.8
149.46829	3.0
161.09625	5.9
183.34090	2.6
187.11125	3.7
199.14705	5.0
221.29515	2.7
266.38840	3.1
269.19000	14.4
271.20483	60.1
315.19464	48.4
394.18933	2.7
401.26013	3.2
419.42581	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	401.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	2.1
53.03950	2.1
53.26164	1.3
55.05500	10.5
57.03432	3.7
57.07074	100.0
57.07361	3.2
59.92728	1.3
65.92302	1.5
67.05497	26.9
69.03419	23.2
69.07053	19.9
71.04961	2.8
71.08621	85.6
79.05475	1.4
81.03410	27.6
81.07051	42.1
83.08607	34.7
85.02897	27.9
85.06544	1.7
85.10167	52.7
86.31976	1.5
93.07024	1.6
95.08593	68.6
97.02879	15.1
97.10139	14.6
99.04427	13.9
109.02868	9.9
109.10145	30.4
123.11724	13.5
127.03876	22.6
137.13263	5.8
145.04965	10.3
188.14456	1.6
194.03296	1.8
221.22559	2.7
221.88768	1.7
239.23648	63.1
246.50047	1.6
257.24698	3.0
341.26971	2.0
383.27829	30.7
401.29053	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	401.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57930	1.5
53.70214	1.5
53.72035	1.5
55.05505	9.6
57.03438	4.2
57.07074	100.0
65.79745	1.4
66.97850	1.7
67.05498	22.7
69.03427	21.9
69.07058	17.0
71.04959	3.0
71.08225	2.5
71.08625	77.0
73.02851	1.6
73.32966	1.6
81.03419	26.5
81.07046	35.7
83.08627	29.4
85.02901	26.2
85.10177	44.1
87.63783	1.7
90.54659	1.7
95.08598	62.3
97.02885	10.8
97.10154	11.6
99.04433	6.5
109.02859	9.0
109.10143	28.7
111.11699	2.7
118.15518	2.1
123.11678	9.7
127.03912	12.7
137.13245	2.8
138.83795	1.8
140.67166	1.7
145.04974	6.7
220.04144	1.9
221.22574	2.3
239.23682	58.1
383.27808	20.9
389.27768	2.0
401.28989	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	401.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
54.21613	1.0
55.01866	6.4
55.05509	7.5
55.89501	1.1
57.03429	1.8
57.07074	83.6
63.99207	1.3
67.05502	19.3
68.07073	1.0
69.03434	13.9
69.07062	20.2
71.04987	2.9
71.08624	82.0
72.46608	1.0
73.02921	2.2
77.37508	1.2
81.03411	15.9
81.07050	40.4
83.08613	25.8
85.02887	5.3
85.10175	50.1
95.08591	56.4
97.02884	88.7
97.10167	19.5
99.04444	30.9
109.02871	15.8
109.10140	30.4
111.11721	2.0
113.07283	1.1
123.11681	11.8
125.13253	2.5
127.03901	42.0
128.31404	1.4
137.13239	4.7
145.04984	5.2
151.14819	2.6
153.60852	1.5
221.22699	2.8
239.23662	100.0
242.93741	1.4
257.24838	2.3
335.25650	13.0
357.51541	1.5
383.27863	8.8
393.82483	1.2
401.29034	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	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.0
57.03432	5.3
65.84997	6.1
67.05495	24.2
69.07066	6.4
73.87847	5.2
79.05482	27.4
81.07026	12.9
83.08613	11.4
89.44791	5.9
91.05460	35.9
93.07027	38.8
95.08595	26.5
97.10166	11.1
99.16151	5.5
105.07028	31.2
107.08584	56.5
109.10159	11.3
119.08557	38.0
121.10139	10.0
125.09580	9.9
129.06981	9.6
131.08543	24.4
133.10109	26.2
143.08496	9.8
145.10115	26.2
147.11664	12.5
159.11642	30.5
161.13219	8.7
173.13298	11.4
185.13216	27.3
197.13460	5.8
203.28383	5.6
227.12737	7.7
239.18123	10.0
257.18958	30.2
263.62234	6.1
275.20084	38.7
290.12097	6.7
294.76654	5.2
349.23645	100.0
401.49799	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	402.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.3
57.03425	48.4
59.07001	5.2
67.05492	90.5
68.22147	5.2
69.07043	28.8
71.04970	22.2
79.05478	58.5
81.07047	89.3
83.04961	12.4
83.08607	22.8
91.05455	44.0
93.07021	91.8
95.04974	11.7
95.08600	50.6
96.08120	6.2
97.06498	26.2
97.10147	35.8
105.07022	53.8
106.44860	5.9
106.49536	5.3
107.04919	8.3
107.08569	100.0
109.06483	10.4
109.10123	43.7
111.08042	11.6
111.97875	4.8
113.33694	5.3
117.07001	21.1
119.08559	39.2
121.10124	49.2
121.12635	5.6
123.08082	6.5
125.09606	22.0
129.06902	6.5
131.08549	34.4
133.10120	36.2
135.08009	9.2
135.11589	8.0
137.45338	5.7
139.11179	12.1
143.08556	7.5
145.10117	26.2
147.11659	29.9
149.09578	22.7
157.10074	9.2
159.11647	21.8
161.13220	6.0
171.11646	12.7
173.13268	10.4
185.13202	9.7
189.11227	7.6
203.12740	6.0
221.00888	5.7
257.18845	26.8
264.44757	5.4
275.20023	89.4
293.21188	19.2
349.23688	28.4
367.24878	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	403.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17314	0.3
55.84822	0.3
61.80379	0.4
71.09357	0.4
73.22553	0.3
74.51772	0.3
77.96369	0.4
98.97562	3.8
116.98579	2.0
145.03682	0.4
177.00854	0.4
219.02010	3.6
225.00894	0.9
243.01958	18.3
245.01601	0.5
258.99796	3.0
261.03027	100.0
263.02899	0.5
277.00745	3.6
278.01147	0.5
279.00522	3.2
282.99994	6.0
284.99719	0.9
301.01013	4.9
303.00742	0.8
324.94177	3.8
342.95224	4.0
343.01840	2.8
367.02106	2.8
384.95718	1.4
385.03189	21.0
403.04767	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	403.102
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
54.04203	0.5
63.32533	0.5
79.01903	0.5
81.83171	0.5
121.02832	6.5
121.45708	0.6
141.05496	0.7
151.03862	2.6
152.37717	0.6
154.84839	0.5
177.05553	0.8
181.04945	0.9
205.04903	3.1
231.02824	2.5
247.05988	2.6
249.03883	3.0
255.06609	0.7
256.07361	0.7
271.05774	0.9
283.05945	37.9
284.06732	17.3
295.05881	4.9
297.07498	18.7
299.05432	2.2
305.08066	0.9
307.06003	2.2
308.06754	2.2
309.07532	3.2
311.05353	2.6
311.09073	4.5
313.07001	61.7
321.04120	0.6
321.07361	4.3
324.06125	0.7
325.07010	10.1
327.08698	1.1
337.07010	34.8
339.08643	10.6
343.08072	15.1
349.06967	5.9
355.08176	1.1
367.08041	56.9
385.09055	15.4
403.10150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1023
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.37371	0.8
56.67939	0.8
60.29822	0.8
60.98874	0.8
67.05479	1.0
69.07042	1.2
71.59341	0.9
79.05483	1.0
81.07043	1.2
93.07040	1.3
95.08603	2.0
103.61136	0.9
107.08582	1.2
121.10165	1.0
123.08031	1.0
140.04134	0.8
163.27029	0.8
254.05734	1.9
255.06444	18.1
256.07285	23.2
275.20084	1.2
283.06015	1.5
284.06760	93.6
287.05460	7.7
299.05484	58.4
300.06265	1.7
301.07178	1.9
311.05505	12.5
312.06216	9.3
315.05066	7.7
322.80170	1.1
329.06525	25.3
330.07196	10.7
331.08102	1.8
367.25363	1.4
373.09100	8.8
385.25940	1.7
403.10190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1017
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
56.15988	2.0
72.08147	2.5
77.59869	1.9
79.84199	2.1
121.02834	10.3
124.31385	2.3
132.74654	2.2
137.99989	2.2
147.04384	3.7
150.21422	2.1
184.48225	2.3
205.04921	2.9
238.03479	2.6
283.05978	38.4
284.06741	16.8
295.06067	5.1
297.07428	24.1
298.11627	2.6
313.06946	65.1
321.07590	3.8
325.07022	5.3
327.08469	3.7
336.69873	2.5
337.06924	31.4
339.08676	12.6
343.08148	13.3
349.06876	5.6
367.07986	48.1
385.09064	18.6
403.10193	100.0
403.15323	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	403.1018
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
59.33830	0.7
66.13262	0.7
67.19466	0.8
69.84118	0.7
121.02830	6.7
123.30716	1.0
167.06976	1.0
175.07414	1.1
190.55795	1.0
205.04956	5.6
249.03873	1.3
271.05786	1.0
283.05954	40.2
284.06680	11.0
295.06039	5.8
297.07547	15.3
305.08197	0.9
308.06741	1.1
309.07480	3.3
311.05615	2.4
311.09122	3.9
313.06995	57.6
321.07495	5.0
323.05353	1.1
325.07053	10.3
337.07025	29.9
339.08597	7.9
343.08109	13.2
349.06973	11.0
367.08051	59.4
385.08975	13.1
403.10135	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	403.138
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
55.64487	1.8
58.26477	1.7
65.51797	1.9
76.84432	1.9
91.05462	31.0
93.07047	2.7
95.04948	4.9
118.04163	2.2
119.04926	38.8
121.06437	3.0
135.04454	2.4
136.05177	9.7
137.05899	4.4
146.03600	4.2
147.04364	10.5
148.05205	3.9
149.05939	2.5
150.06665	3.7
151.03868	63.4
151.05028	3.9
151.07515	27.6
153.05467	12.0
161.06000	9.3
164.04642	10.6
167.07008	5.4
177.05501	2.5
178.06195	38.9
179.07004	22.7
181.04906	3.5
196.07288	12.7
201.10622	2.5
203.06929	3.0
207.06483	100.0
207.08466	3.6
235.09561	2.4
284.06796	18.8
299.05469	11.7
329.06516	4.4
369.98468	2.3
395.86826	2.5
403.10062	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	403.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93494	0.8
51.96963	0.8
53.59906	0.9
55.78312	0.7
81.07049	2.4
83.08551	1.2
93.07014	1.5
95.08603	1.2
101.19852	1.1
104.77647	1.3
107.08561	1.4
109.10125	1.3
121.10102	1.9
123.11678	1.2
128.18193	1.3
208.91022	1.0
402.52893	1.1
403.32916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.8
58.59940	0.2
69.03399	0.3
73.02899	0.3
75.04461	3.2
85.02883	3.1
91.05456	100.0
93.05504	0.3
95.01304	1.5
97.02864	0.3
103.03918	0.4
113.02349	2.0
119.04903	0.8
131.03371	0.8
137.05945	10.2
141.01790	7.9
141.02911	0.3
159.02817	0.5
193.08546	43.9
211.09592	28.9
218.81653	0.2
279.73029	0.2
307.20834	0.2
351.10577	0.3
369.11728	4.1
404.15045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33719	0.3
60.49047	0.3
62.06087	100.0
62.39945	0.3
76.49152	0.3
85.02905	0.3
115.29586	0.3
116.03746	0.3
153.07997	0.4
302.81985	0.4
379.58377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25644	1.0
55.05509	1.1
58.32798	0.8
65.85262	0.9
67.05486	1.4
69.07057	1.0
74.09713	7.7
79.05469	0.9
81.07047	8.1
83.08594	1.1
85.06564	0.9
92.16776	1.2
93.07015	1.8
95.08601	4.7
97.06508	1.4
104.98613	0.9
107.08580	2.1
109.10137	4.1
111.04421	13.5
119.08568	1.7
121.10132	4.7
122.94217	0.9
123.11679	1.3
125.05988	4.8
125.06860	1.0
133.10114	3.6
135.08009	2.0
135.11710	6.9
137.05965	100.0
137.13251	1.6
145.10103	1.1
147.11647	5.1
149.09595	5.1
151.07559	1.8
151.11176	1.1
157.10175	1.4
161.09560	4.7
161.13133	1.1
163.11124	4.5
165.09052	2.2
175.11115	6.4
179.10672	2.0
189.12778	1.1
193.12270	1.2
203.17949	9.5
213.16385	2.1
221.18977	1.6
231.17448	12.7
241.15903	1.4
249.18533	8.8
277.17960	28.2
295.19019	4.4
351.21597	68.3
369.22678	7.2
404.10034	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	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.8
60.25068	3.5
67.05505	82.8
68.05822	4.6
68.76906	3.9
69.07075	34.2
71.08612	4.4
73.64227	4.0
79.05499	33.1
81.06624	7.6
81.07057	100.0
82.07378	7.1
83.08614	9.3
85.06561	4.7
91.05464	8.3
92.18169	4.5
93.07040	26.0
95.08593	69.6
97.10172	5.3
99.08113	5.8
105.07027	5.9
107.08593	24.9
108.08910	4.2
109.10158	32.5
110.10459	4.5
119.08569	9.6
121.10137	18.7
123.11712	27.1
131.00005	8.8
132.97774	4.6
133.10095	6.9
135.11714	5.2
137.13261	5.0
143.00020	7.2
144.97935	4.4
147.11690	16.4
155.00076	5.5
157.01602	21.0
159.01120	5.7
161.13264	9.5
163.00343	4.3
163.14804	4.6
167.03632	5.8
169.01550	6.4
169.02982	4.2
174.99069	5.3
175.14874	7.6
183.03163	7.9
185.01093	8.6
189.00525	9.2
203.02145	5.7
215.02101	5.9
229.00093	7.6
243.01576	6.9
245.22707	22.0
246.23016	6.8
257.03009	6.9
263.23618	55.2
264.23999	22.5
307.79852	4.8
313.09283	16.4
314.09882	4.2
331.17422	5.7
337.27414	10.0
338.27582	5.9
369.26147	17.6
404.29849	18.8
410.18869	5.1
411.20404	39.5
412.20810	49.0
413.20276	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	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	1.5
55.05505	10.0
57.03430	7.3
57.07057	1.9
62.21215	1.3
65.77432	1.3
66.95466	1.4
67.05495	18.9
69.03440	1.9
69.07048	7.2
71.04974	1.5
71.08627	32.0
72.29359	1.7
79.05485	8.2
80.90567	1.7
81.07052	17.2
83.08609	13.9
86.06923	1.3
91.05468	3.5
93.07056	16.1
95.04939	3.4
95.08593	12.9
97.10159	31.7
99.08082	28.8
105.07027	3.6
107.08582	23.3
109.06524	1.5
109.10150	12.3
117.07011	2.3
119.08568	8.3
121.10149	3.2
125.09623	43.1
133.10126	9.5
135.08035	2.8
135.11674	3.6
145.10133	2.8
147.11682	3.6
151.11182	14.7
161.13255	10.4
163.11180	3.0
171.10197	3.5
173.11787	17.9
173.13133	2.6
179.14273	3.7
189.11192	20.5
227.12744	33.2
241.19409	2.7
245.13750	13.0
253.18132	2.0
259.20724	2.8
277.21552	22.6
288.83435	2.0
351.25262	100.0
369.26385	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	405.1177
Annotation	Psiadiarabicin
Peak:m/z	Relative Intensity
72.43269	0.4
77.79057	0.4
79.71116	0.4
94.40301	0.5
119.16125	0.5
120.80112	0.4
250.19656	0.5
270.05164	7.5
284.06747	2.3
286.04620	0.9
287.05450	2.5
299.05637	2.1
302.03873	0.6
315.04926	27.3
315.08588	0.9
316.05695	10.2
329.06409	0.7
331.08078	100.0
380.15390	0.5
405.11765	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	405.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39194	2.3
66.46297	2.9
76.54855	2.8
78.73418	2.9
91.05466	5.0
93.03381	21.5
93.07035	7.2
95.04941	4.6
103.05469	3.4
106.04154	33.3
117.04733	2.8
121.06486	39.2
125.05952	12.0
134.91348	3.1
137.05984	5.1
149.05954	96.1
151.03883	22.3
151.07436	3.4
153.09071	20.5
177.05444	36.3
181.04991	15.5
181.08548	24.8
205.08540	5.2
209.08054	100.0
246.62492	3.4
383.18875	3.4
390.38571	3.4
405.07813	4.1
405.24268	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	406.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93588	0.7
53.03934	4.3
57.03432	0.9
62.61308	0.6
69.03415	13.8
71.04983	1.6
78.03451	6.7
81.03409	39.4
85.02881	9.6
95.85096	0.6
96.04485	1.1
97.02878	7.7
99.04433	4.2
102.55299	0.6
102.81383	0.7
106.02902	79.6
107.10077	0.7
109.02864	23.5
121.02856	1.0
124.03931	100.0
127.03886	11.4
192.07631	0.7
196.05986	1.1
227.45261	0.6
250.07056	48.3
268.08109	36.5
273.81732	0.8
338.18512	0.6
353.84415	0.7
406.11002	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	407.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14660	6.0
58.84561	6.2
59.06073	6.6
119.08561	6.8
137.05937	30.0
145.77148	7.4
153.05444	14.1
165.05426	40.9
166.06181	9.8
167.06961	7.9
177.05466	10.2
180.07765	45.1
181.04898	100.0
208.07246	86.6
225.07520	47.0
226.08296	56.7
375.88464	7.5
407.13007	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	407.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25727	1.5
56.19576	1.8
58.06527	1.7
68.01935	2.0
71.01347	2.9
84.97159	1.9
91.05466	2.5
95.04922	7.9
107.04938	9.6
121.02888	2.4
121.06557	3.0
123.04411	4.2
125.05983	10.8
126.12785	15.0
127.81718	2.5
133.02826	2.1
135.04396	13.6
137.05949	11.0
147.04393	7.8
149.05928	17.8
150.06718	2.8
151.03873	100.0
151.04909	4.2
151.40649	2.2
153.05450	10.4
161.05984	3.1
163.03835	2.4
165.05435	8.9
167.06998	8.6
177.05489	9.8
178.06215	42.2
191.07048	2.5
193.04976	10.0
195.06541	12.9
196.07254	10.8
255.08597	7.8
389.12338	3.7
407.13135	21.6
407.21860	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	407.1695
Annotation	Longipilin
Peak:m/z	Relative Intensity
52.38931	0.7
57.99632	0.8
73.21487	0.7
79.05488	1.4
88.83943	0.8
91.05482	0.9
93.65296	0.9
95.04963	0.8
96.92748	0.9
103.05437	1.0
105.07025	18.9
107.04948	3.3
114.09129	5.7
118.04174	1.8
119.04954	3.6
123.08047	1.4
125.05990	1.0
133.06480	17.9
135.04424	1.8
135.08061	3.4
137.05965	7.5
146.03648	1.0
147.04282	1.3
149.05890	1.5
150.06761	12.9
151.03897	15.6
151.07487	9.1
153.05434	1.7
161.05945	3.7
165.07701	1.1
165.09077	22.3
167.07011	16.7
168.07799	3.7
177.05444	1.1
178.06223	3.9
179.06966	1.2
193.08569	100.0
195.06409	1.1
205.08571	3.5
211.09616	92.5
357.13144	1.1
407.16293	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	407.2208
Annotation	Lincomycin
Peak:m/z	Relative Intensity
70.06580	0.1
77.00664	0.1
82.06578	0.1
83.07338	0.1
84.08170	0.1
95.08540	0.1
102.37695	0.1
126.12776	100.0
131.33423	0.1
172.13316	0.2
207.36952	0.1
226.48933	0.1
317.20673	0.1
339.62051	0.1
359.21790	1.6
389.20996	0.6
407.22052	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2782
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
55.01857	2.0
55.05502	7.8
57.03437	2.3
57.07065	8.9
61.51710	1.3
67.05502	23.7
69.03402	6.4
69.07057	10.9
71.04971	2.0
71.08607	8.8
73.02910	1.8
79.05493	10.9
80.21223	1.2
81.03398	10.6
81.07047	28.2
83.08593	9.6
85.02908	7.2
85.06503	1.3
85.10168	5.6
91.05453	9.4
93.07018	21.0
95.04958	7.2
95.08591	23.7
97.02895	2.3
97.06532	2.4
97.10146	3.2
105.07009	14.0
107.04939	2.3
107.08609	13.9
109.10119	10.3
111.04436	3.5
112.99998	88.0
117.06986	7.4
119.08549	13.3
121.06467	2.8
121.10137	7.4
123.04346	1.5
123.11711	3.5
129.05437	1.4
129.07013	1.8
131.08501	11.1
133.06471	1.8
133.10120	9.5
135.11673	6.5
137.13229	1.9
143.08542	5.5
145.06468	1.7
145.10095	7.5
147.08061	2.4
147.11673	6.0
149.09560	2.3
149.13219	3.1
151.14847	1.9
157.10104	2.2
157.49954	1.7
159.11636	3.2
161.13229	5.9
163.14694	1.9
169.02574	100.0
169.10089	1.7
171.11687	1.4
173.13190	2.5
175.14828	2.7
176.06630	1.3
183.11771	1.4
185.13246	1.5
187.14755	3.0
195.11713	1.8
199.14737	2.4
275.23657	1.6
283.24628	1.6
303.23062	2.1
305.24850	2.1
317.24530	2.6
321.24176	2.2
353.25146	2.2
371.25739	16.7
389.26813	14.6
407.27933	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	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
50.01339	6.4
60.07240	7.3
69.07062	28.4
73.62808	7.2
81.07031	60.6
83.08604	16.3
84.23748	8.2
86.00307	7.8
92.17609	16.2
93.07005	10.5
95.08598	36.0
105.06985	7.3
107.08604	9.8
107.53622	7.7
109.10128	29.7
112.99989	12.1
118.96399	7.6
123.11716	13.5
133.10092	10.0
135.11723	10.5
147.11716	8.4
161.13266	9.6
169.02565	34.9
175.14778	8.6
187.64972	7.9
206.14352	7.8
215.17850	7.7
305.59595	8.6
404.64548	8.4
407.36600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
58.83584	0.3
62.99041	1.4
65.00603	0.3
71.04976	3.1
72.05746	0.4
73.06532	3.4
77.42800	0.3
119.01270	2.1
135.04726	3.5
147.03136	4.5
163.05727	0.4
179.02118	0.4
207.36923	0.4
255.92462	15.6
268.95215	0.4
273.93521	100.0
407.97476	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	408.2499
Annotation	3-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, 11-(4,6-dipyrrolidinyl-1,3,5-triazin-2-yl)-7,11-diazatricyclo[7.3.1.0<2,7>]tri deca-2,4-dien-6-one
Peak:m/z	Relative Intensity
56.06088	5.0
58.26130	5.7
61.10079	5.2
71.22952	5.6
84.62747	6.2
155.01060	13.9
157.66513	5.8
189.18484	7.2
195.01701	7.1
195.13057	5.8
210.30101	6.5
285.57242	6.7
347.25772	8.8
365.20905	15.0
408.25067	100.0
408.30463	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	409.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41920	1.5
53.22024	1.4
58.55634	1.6
69.07018	1.7
86.02703	1.7
90.55539	1.6
91.05460	4.3
105.07030	7.9
109.06454	2.4
113.00007	7.6
116.04945	66.8
117.05730	6.7
118.06506	10.3
130.06490	3.7
131.07285	61.1
132.04434	8.1
132.08057	26.6
134.05975	14.5
137.32111	1.9
139.52690	1.9
146.05966	47.8
147.06761	11.6
151.08270	1.9
157.10072	2.1
161.04668	8.4
162.09113	3.0
163.32666	1.8
169.02586	3.1
170.02968	2.1
171.03052	1.9
175.06232	3.4
178.08670	6.3
182.06940	1.6
186.05214	32.4
206.08057	100.0
409.13675	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	409.1362
Annotation	Trifloxystrobin
Peak:m/z	Relative Intensity
51.93831	0.6
55.05481	0.6
69.07046	1.1
70.33604	0.7
75.51402	0.7
77.01344	0.6
81.07034	1.3
83.08604	0.8
91.05473	1.3
93.49955	0.7
95.08553	1.0
96.85345	0.7
102.07579	0.7
105.07027	3.1
107.08582	2.7
116.04951	18.3
117.05740	2.8
118.06522	2.7
121.10133	1.4
131.07278	14.2
132.08075	8.5
134.05997	5.9
139.89996	0.7
145.02563	9.1
145.09966	0.7
146.05974	6.3
161.04660	1.0
163.03668	0.9
173.03206	4.5
186.05214	100.0
206.08084	15.0
409.13693	6.7
409.30722	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	409.1366
Annotation	Trifloxystrobin
Peak:m/z	Relative Intensity
50.52271	0.2
54.48561	0.2
55.40083	0.3
59.72017	0.2
65.60701	0.2
81.07024	0.3
89.03888	0.5
91.05460	3.3
92.36590	0.3
103.05481	0.4
105.07005	1.8
116.04954	11.6
117.05739	2.6
118.06529	2.2
119.04929	2.4
130.06482	2.3
131.06293	0.4
131.07288	9.9
132.04433	4.6
132.08064	5.2
134.05977	2.7
140.21410	0.3
143.03024	0.6
145.02583	11.3
146.05989	22.7
147.06761	4.3
148.07518	0.4
149.04669	1.5
161.04689	4.6
162.05420	0.3
162.09128	0.4
163.03644	0.5
173.03165	5.0
174.05431	1.2
175.06223	2.0
178.08611	1.8
186.05231	100.0
187.84267	0.3
206.08095	36.1
409.13657	3.8
409.30637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09705	0.3
61.02918	0.6
62.45340	0.4
63.02346	0.4
65.03947	0.5
67.05492	1.6
68.73067	0.3
69.03421	5.7
69.07046	0.7
72.40117	0.3
78.12142	0.4
79.05479	0.6
81.07048	1.6
83.04975	3.3
89.03898	1.9
91.05455	8.2
93.07006	0.6
95.08583	0.5
99.04411	1.8
100.46011	0.4
103.05434	1.8
105.07016	6.3
109.06498	1.8
109.10113	0.7
111.04387	1.6
112.99930	0.5
115.05407	1.5
116.04961	55.4
117.05740	10.8
118.06516	10.9
119.04944	4.4
119.07315	0.9
119.08510	0.4
129.05464	3.2
130.06511	7.4
131.07292	51.8
132.04442	10.8
132.08070	29.2
133.05223	0.6
134.06004	13.7
144.04472	0.4
145.02568	3.3
146.05992	54.8
147.06769	9.1
148.07565	1.5
149.04716	1.9
157.07613	1.0
159.04105	0.6
159.11659	0.5
161.04665	9.6
162.09125	4.7
169.02638	0.5
171.55954	0.4
173.48428	0.5
174.05502	1.7
175.06235	5.4
178.08595	3.9
186.05229	27.9
191.05748	0.4
206.08095	100.0
252.70422	0.4
293.50635	0.4
409.13651	11.2
409.29733	2.9
409.34464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.0
53.80150	1.3
55.05490	1.9
57.07071	100.0
69.07050	8.5
71.08228	2.9
71.08620	85.8
77.49395	1.3
81.07048	2.3
83.08600	8.0
85.10172	55.8
87.08085	1.8
93.07006	3.3
95.08585	3.1
97.10154	3.6
98.17429	1.3
99.11707	5.7
105.07018	2.9
107.08568	6.5
109.10108	3.7
111.11681	1.4
113.13253	2.0
117.01055	1.7
119.08533	5.7
120.81882	1.6
121.10136	3.1
123.11731	1.6
128.27422	1.5
131.08522	2.3
133.10172	2.7
135.08035	5.6
137.05994	7.0
137.09645	1.9
139.07588	2.9
145.10107	3.4
147.08020	2.8
147.11658	2.0
149.05936	7.7
149.09650	3.4
151.07510	45.7
153.09131	2.8
159.11647	3.4
161.09669	2.2
163.07492	27.6
163.11125	2.6
165.09071	39.3
167.06912	2.3
173.09625	6.2
173.13234	3.4
177.09065	40.5
179.10635	16.0
181.08513	2.3
187.11151	10.9
187.14763	2.1
191.10619	18.8
193.12201	3.7
195.10118	1.6
201.12675	7.1
201.16389	1.8
205.12260	8.6
207.13756	2.0
209.62773	1.6
215.14360	3.5
219.13774	8.9
223.13191	2.1
223.60190	1.6
229.15918	5.5
233.15358	2.8
237.14789	2.8
239.73505	1.5
247.16794	2.6
251.16391	7.3
261.18588	1.7
265.17938	6.6
275.20059	3.2
279.19528	10.1
289.21558	2.6
293.21030	6.4
296.79492	1.8
307.22632	2.7
321.24237	6.8
373.30853	3.5
391.32132	3.4
409.33060	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	409.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	9.5
57.07052	7.0
64.24280	1.9
67.05474	2.2
69.07052	16.3
71.08616	3.5
73.01923	1.6
81.07034	37.3
83.08593	42.1
92.86520	1.7
95.08560	3.2
97.10136	7.4
101.90096	1.8
103.69770	1.9
105.06982	2.0
107.04926	8.1
107.08582	2.6
109.10120	7.7
121.10036	2.0
133.10124	2.4
146.07285	1.8
151.07509	7.3
169.94893	2.0
222.50851	2.1
272.51865	1.9
409.34586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20571	0.7
55.05497	1.0
57.07046	1.0
67.05483	4.8
69.07057	13.5
69.93195	0.6
79.05487	1.3
81.07047	33.9
83.08597	1.2
91.05455	0.9
92.16874	1.0
93.07018	8.1
95.08582	17.3
97.10132	0.8
105.06989	5.3
107.08581	9.8
109.10150	14.2
119.08566	3.1
121.10114	10.9
123.08017	0.9
123.11704	4.3
133.10114	3.8
135.11655	5.3
137.13254	1.0
138.06721	0.8
147.11673	1.8
149.09547	1.1
149.13255	3.0
150.06725	13.2
151.07512	100.0
152.08304	6.5
159.11668	1.0
161.13182	1.2
163.07497	1.1
164.08273	1.9
165.09111	1.8
175.07536	3.3
175.11127	1.7
175.14644	0.9
177.09088	5.1
177.16362	1.3
187.11142	0.9
189.09079	28.2
189.16353	0.9
191.10631	22.0
191.17946	1.4
201.12701	1.1
203.10631	15.0
204.11055	4.8
205.12180	5.4
206.13023	6.1
215.10605	0.9
217.12212	4.6
218.12970	3.1
229.12169	1.7
230.89211	0.8
231.13797	1.4
245.15504	0.8
274.19080	0.9
410.31641	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31537	1.6
62.06812	2.0
64.94577	1.8
92.17112	3.3
122.07094	2.4
197.37660	1.9
323.53577	2.2
336.76807	1.9
411.08902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00670	1.5
55.05509	1.8
59.13705	1.2
66.83863	1.3
67.05483	1.9
69.07057	5.9
79.05466	2.0
80.44319	1.8
81.07046	8.8
83.08612	3.2
85.74886	1.3
91.05416	1.5
93.07029	8.5
93.15153	1.5
95.08628	13.2
97.10145	2.0
105.07039	11.5
107.04929	2.3
107.08598	9.4
109.06560	2.0
109.10159	8.8
111.08046	6.9
117.07009	1.8
119.08564	18.7
121.10184	13.4
123.08038	3.4
123.11671	19.7
131.08559	3.1
133.10127	40.4
134.90424	1.6
135.08047	21.0
135.11656	14.7
137.09654	1.7
143.08543	3.3
145.10135	6.9
147.04346	2.4
147.08046	17.8
147.11688	7.5
149.13235	7.4
157.10083	8.0
159.11656	9.5
161.09599	6.4
161.13260	6.0
163.11220	2.9
169.10115	2.8
171.11674	9.3
173.09630	9.4
173.13239	6.8
175.11160	2.5
175.14777	17.6
183.11624	3.7
185.09573	1.9
185.13242	6.9
187.11180	6.0
187.14783	1.9
189.12758	2.9
193.06793	3.4
195.11690	7.4
197.13274	2.7
199.11142	2.4
199.14822	3.5
201.12738	13.2
207.11778	1.8
209.13278	7.0
211.14832	7.4
213.12680	3.5
213.16287	3.1
223.14861	7.7
225.16249	3.2
229.15804	2.3
232.55768	1.7
237.16435	6.8
239.18002	6.9
255.17332	1.9
255.21092	3.4
263.18018	1.5
265.19476	31.6
283.20526	34.8
301.21622	22.4
311.18219	3.2
329.19150	2.2
339.17966	2.0
347.20438	3.5
357.18787	24.5
375.19849	100.0
393.20874	43.0
393.60126	1.8
411.22086	33.0
411.36182	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	411.325
Annotation	cyathisterone
Peak:m/z	Relative Intensity
55.05481	3.0
55.23507	1.7
57.07051	3.9
59.46518	1.5
63.98636	1.5
69.06721	2.4
69.07059	48.8
81.07037	8.9
83.08595	10.4
93.07011	2.0
95.08595	6.7
97.10104	2.7
107.08553	2.0
109.10120	4.0
121.10143	2.8
145.10110	3.3
145.79607	1.6
161.09567	3.2
173.09578	100.0
175.11154	22.3
189.12694	2.6
191.10623	82.5
196.74654	2.3
213.12640	7.7
215.14313	6.9
231.13622	2.3
362.42456	2.2
385.60498	2.2
393.31265	15.2
411.32373	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	411.3614
Annotation	24-Methylenepollinastanone
Peak:m/z	Relative Intensity
50.39502	0.6
55.05495	0.8
57.07057	3.9
57.88726	0.6
63.36520	0.7
67.05483	3.0
69.07074	7.0
71.08614	4.4
79.05488	1.4
81.07049	43.7
83.04933	0.7
83.08585	4.1
83.64053	0.7
85.10170	3.8
93.07027	4.1
95.08591	9.6
97.10142	1.4
105.07027	1.8
107.04946	8.0
107.08572	4.2
109.10138	4.3
111.11697	1.5
121.10113	1.5
123.11660	3.0
131.08562	1.0
133.10104	1.6
135.11655	3.4
145.10101	1.2
147.11661	1.1
147.12750	0.9
149.13182	1.3
157.10120	7.1
159.11676	1.7
161.09604	1.3
163.14871	1.1
173.13260	0.8
175.11172	1.4
177.16403	0.7
185.13239	0.9
189.12668	0.8
211.14883	0.9
215.61282	0.7
237.39151	0.9
253.19495	1.1
314.77350	0.9
387.53568	0.8
393.35138	3.1
411.36160	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	412.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33825	1.3
52.69474	1.2
57.52381	1.3
60.08150	10.4
67.05497	1.6
73.35807	1.3
86.09695	33.2
104.10730	90.7
109.10155	8.7
124.99986	9.1
163.01491	1.6
173.11737	2.5
173.39108	1.5
184.07306	100.0
221.07033	1.5
229.14346	2.5
232.53323	1.4
251.59985	1.5
412.20920	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	412.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49292	2.2
56.84108	2.0
60.08160	12.4
60.53503	2.6
60.61266	2.0
61.23033	2.0
75.29079	2.1
86.09696	33.9
104.10033	3.5
104.10736	83.1
109.10166	9.0
109.42023	2.7
125.00018	16.3
125.01044	1.9
145.31889	2.4
184.07317	100.0
229.14264	2.6
253.80708	2.2
308.11731	2.3
330.76358	2.6
351.72470	2.3
412.20801	66.2
412.26196	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	412.2456
Annotation	1-Decanoyllysolecithin
Peak:m/z	Relative Intensity
50.54034	0.3
57.03429	0.5
57.07067	1.5
58.06590	0.8
60.08160	9.3
64.52573	0.3
65.73668	0.3
67.05474	0.3
69.07062	0.4
71.07363	1.9
71.08619	3.3
81.07055	1.3
83.58310	0.3
85.10164	1.8
86.09694	34.0
95.08566	2.3
98.98458	0.8
104.10734	96.4
124.99988	15.3
125.00674	0.4
155.14293	1.8
163.01544	0.7
163.13693	0.4
173.15317	0.4
181.02516	0.3
184.07317	100.0
229.15790	0.7
229.17932	8.0
258.10934	0.5
291.59903	0.3
332.36386	0.3
335.16248	0.4
394.23438	5.7
404.58868	0.3
412.24536	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	412.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30337	5.4
54.35291	5.0
55.05511	10.1
57.03412	6.3
59.14814	4.8
60.04531	11.2
67.05502	58.8
69.07050	38.0
79.05496	24.4
81.07038	68.2
83.08634	5.8
84.04482	6.4
92.31592	5.8
93.07030	38.5
95.08620	50.9
99.08073	5.9
100.11250	14.4
105.07023	11.1
107.08583	14.9
109.10162	29.9
110.74416	5.4
119.08574	22.7
121.10133	27.4
122.39467	5.5
131.08517	10.5
133.10213	5.4
135.11700	7.2
145.10118	8.9
149.13307	14.5
158.30760	6.5
159.11731	8.1
161.13200	8.6
186.53793	6.6
194.97624	6.6
203.84589	6.4
261.21918	13.8
278.24927	9.8
320.25867	10.6
335.25854	9.4
394.29880	55.4
412.26648	45.1
412.30591	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	412.3203
Annotation	(+)-Homobuxaquamarine
Peak:m/z	Relative Intensity
51.77664	1.3
55.05489	1.2
57.07085	1.2
58.80883	1.2
69.07056	2.3
71.08619	5.8
71.63503	1.2
71.84126	1.3
81.07028	1.9
88.30491	1.5
93.07005	1.4
95.08589	3.4
99.08057	2.4
105.07021	100.0
107.08617	1.7
109.06514	2.3
109.10153	1.4
122.09645	46.1
138.04497	1.4
143.64908	1.3
165.12727	5.5
291.23111	7.2
293.84317	1.9
314.24872	2.6
371.24609	1.8
374.66861	1.5
406.23019	1.7
411.53397	1.7
412.32004	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	413.3408
Annotation	Tylopiol A
Peak:m/z	Relative Intensity
51.13719	1.5
55.05509	7.1
57.07060	1.8
61.98450	1.7
66.07822	1.7
67.05494	2.6
69.07049	13.3
81.07051	20.4
83.08620	8.0
93.07030	4.4
95.08595	16.0
97.10146	12.7
100.99823	1.9
105.07030	3.7
107.08571	8.8
109.10148	13.1
111.40058	1.9
121.10147	10.3
123.11658	3.8
133.10097	8.2
135.11656	4.6
145.10117	3.9
147.11668	8.6
149.13298	3.1
157.10167	4.5
159.11676	4.6
161.09555	2.6
161.13315	3.1
163.11179	2.4
163.14769	3.8
171.11618	2.5
171.44667	2.3
173.13283	2.3
175.11243	4.0
199.15033	2.6
280.88947	2.0
301.90366	2.1
311.23770	2.1
395.33099	4.5
413.34100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3403
Annotation	Tylopiol A
Peak:m/z	Relative Intensity
55.03850	3.0
55.05493	7.6
56.20696	2.9
57.07065	3.2
57.61210	3.4
58.18346	2.7
60.46429	3.1
63.69345	2.8
67.05483	6.6
69.07045	17.4
71.08598	6.4
81.07056	25.1
83.08589	15.7
91.05439	8.7
93.07030	16.4
95.08584	39.1
97.06491	7.0
97.10162	18.1
104.49020	3.8
105.07009	57.3
106.07335	7.1
107.08552	16.6
109.10123	29.0
119.08542	18.6
119.89008	3.2
121.10107	21.0
122.09622	17.6
123.08098	3.7
123.09985	6.1
123.11682	6.6
129.11893	3.7
133.10144	28.5
135.07999	3.2
135.11659	8.6
143.08551	5.9
145.10085	5.5
147.11684	8.7
149.09604	4.7
149.13194	5.0
153.81149	3.9
155.08485	5.2
157.10100	14.7
159.11606	16.4
161.09583	4.4
161.13217	5.8
163.14796	6.1
165.12642	5.2
173.13194	7.5
175.14801	5.4
177.12756	4.4
185.13321	4.5
189.12592	4.4
190.13109	3.7
197.13213	7.7
199.14780	4.5
199.81006	3.3
379.89011	3.9
395.28232	6.9
395.33008	100.0
413.33844	99.5
433.91537	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	413.377
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
55.05497	3.6
57.07063	6.2
60.12833	2.5
63.98058	2.6
66.08222	2.5
67.05491	11.3
67.29646	2.6
69.07060	20.4
71.08617	10.4
76.90179	3.0
81.07040	18.8
81.32477	2.4
83.08614	9.6
85.10210	2.9
87.84895	2.6
91.05478	4.6
93.07008	9.9
95.08578	29.2
97.10131	6.3
105.07008	13.2
107.08566	19.4
109.10137	21.0
111.11698	4.4
112.96427	2.9
117.06963	4.9
119.08532	12.1
121.10137	14.8
123.11644	10.2
131.08554	11.2
133.06494	3.2
133.10126	19.4
135.11684	6.0
145.10121	23.2
147.11690	21.0
149.13286	8.8
157.10031	3.3
159.11635	54.4
161.13240	20.8
171.11697	2.9
173.13197	21.1
175.14740	3.5
177.12697	4.1
185.13226	4.3
187.14819	6.6
198.68153	3.1
199.14862	14.5
201.16447	5.3
213.16338	18.8
227.17879	3.8
241.19423	3.2
255.21066	4.2
395.36621	43.5
413.32208	5.5
413.37677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
57.03420	1.1
69.03409	6.9
71.04956	1.7
72.08199	0.9
73.06542	18.6
81.03397	5.9
85.02389	2.3
85.02889	61.5
85.03404	2.1
93.26155	1.2
97.02885	17.1
99.04427	19.2
101.06014	8.8
103.03925	96.3
109.02850	13.8
124.03916	1.5
127.03881	100.0
145.04921	31.7
156.10136	1.1
157.08586	1.2
163.05962	21.3
166.05006	4.2
181.08620	1.1
187.05962	2.3
199.09508	1.2
235.11678	2.4
253.06648	1.1
259.11734	16.3
271.08081	4.2
289.09125	5.2
302.35947	1.2
307.10184	14.4
315.18863	1.5
344.63513	1.0
361.14853	10.0
379.15909	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	414.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04930	1.2
55.05505	3.5
56.83704	1.3
57.07055	2.8
60.03481	1.3
60.04507	10.2
67.05493	18.3
69.07037	8.2
70.06574	1.4
71.08627	2.1
79.05475	3.0
81.07040	23.6
83.08601	12.4
91.05448	2.5
93.07030	7.6
95.08588	25.5
97.06528	1.7
97.10139	9.7
97.36761	1.6
99.08042	2.3
105.07044	5.4
107.08575	7.9
107.33726	1.4
109.10130	17.3
119.08567	2.4
121.10120	9.6
123.11687	7.6
133.10085	8.0
135.11667	3.1
137.09599	2.3
142.15883	2.1
145.10115	2.5
147.11655	5.9
149.13278	1.9
161.13116	2.6
163.14685	1.8
229.14340	3.0
245.22498	2.8
259.24127	1.9
263.23666	2.8
280.26233	17.1
304.26340	1.8
305.24667	3.3
322.27417	7.9
330.57755	1.6
372.31155	11.8
396.31241	19.4
401.37726	1.8
414.32080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1379
Annotation	(+)-Epiexcelsin
Peak:m/z	Relative Intensity
56.12106	1.9
59.36063	1.8
63.14410	1.9
68.46541	2.3
73.15499	2.6
77.87038	2.3
79.05475	9.7
82.23255	2.3
85.02838	3.2
92.17364	2.8
95.08583	2.5
97.10186	5.2
107.04941	65.6
107.08527	3.0
109.02871	3.5
109.10139	3.7
117.06979	4.0
123.04420	3.0
124.05177	13.6
125.05981	6.2
127.03887	3.8
135.07997	2.7
137.06020	4.0
143.08551	2.5
145.06454	14.3
167.07004	97.9
171.06566	3.0
173.05885	4.8
177.05481	3.2
181.04895	100.0
201.05391	23.5
205.08559	21.8
210.10271	2.8
233.08038	18.1
273.26276	2.7
331.23874	2.7
387.14331	63.1
409.42465	2.5
415.13864	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	415.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75818	1.6
65.12225	2.3
69.03416	2.2
69.07044	2.3
74.74283	1.6
79.05479	2.5
81.03383	1.6
85.55988	1.7
89.15538	1.6
91.05443	1.7
92.40742	1.6
93.01379	2.0
96.08084	12.9
99.04439	2.6
107.04910	12.4
109.02835	3.2
113.10757	13.1
114.09137	74.6
116.69057	1.8
119.04947	1.8
119.11140	1.8
127.03923	2.3
137.05949	57.1
145.06413	2.7
149.05898	2.2
151.07530	8.3
157.06422	2.2
159.07986	3.8
161.05954	7.9
167.07010	19.7
169.06512	1.9
173.05998	2.1
174.06743	2.1
175.07553	2.9
181.04915	19.5
184.64485	2.0
185.09673	3.1
187.07565	2.3
189.09056	4.1
191.07019	2.2
197.09624	7.3
198.06802	8.8
199.07565	7.9
201.09106	3.3
209.16399	15.8
213.09058	25.5
215.10600	6.7
219.10075	2.6
225.09073	9.6
226.19215	3.2
227.17351	3.2
228.15869	3.2
233.08043	2.1
243.10092	20.0
244.08849	2.0
255.09993	3.8
273.11142	50.4
275.80481	1.7
278.87482	1.6
291.10193	2.6
307.09720	4.1
319.09531	2.3
321.11166	4.0
322.24896	4.2
336.13565	2.7
352.03949	1.7
354.14511	4.4
387.14410	10.7
397.16376	100.0
415.13379	4.4
415.31842	14.4
415.65622	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	415.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47426	0.1
61.02889	0.1
64.16952	0.1
65.03932	0.1
67.48345	0.1
69.03416	0.7
79.05492	0.2
81.03416	0.2
82.12704	0.1
83.04982	0.2
85.02903	0.1
91.05465	2.4
93.07034	0.2
103.05452	0.2
104.06219	0.2
107.08591	1.7
115.05459	0.2
117.07014	0.8
119.08573	100.0
122.67064	0.1
126.60114	0.1
127.03913	0.2
129.05426	0.1
133.06491	1.4
135.08044	2.6
149.73662	0.1
152.49161	0.1
203.05508	0.1
297.07883	0.1
301.87213	0.1
415.21088	2.4
437.17255	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	415.2336
Annotation	Tentoxin
Peak:m/z	Relative Intensity
56.05035	0.8
58.06596	100.0
58.37579	0.6
73.51451	0.6
77.12962	0.5
86.09692	8.1
91.05466	3.3
95.78510	0.6
97.02911	0.6
98.09665	1.2
105.86950	0.6
113.07092	0.9
114.09153	0.9
115.08640	5.7
132.08073	20.1
139.38376	0.9
143.08150	0.8
146.09628	2.7
160.07629	0.9
161.80888	0.7
167.07013	1.0
169.13332	0.8
171.09190	1.2
171.14883	10.0
188.07040	5.2
188.11781	1.1
189.10181	15.4
199.14409	14.1
210.16019	3.5
217.09706	8.9
238.15453	3.4
239.15402	1.4
256.18021	40.9
284.17575	4.3
301.15530	1.1
302.14963	10.5
302.18314	1.0
312.17023	25.9
327.16724	0.9
330.18008	7.4
358.20984	4.6
415.14438	1.6
415.23355	38.2
415.28925	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	415.3201
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
54.78911	4.2
57.07061	23.6
69.07057	24.8
70.06567	22.5
71.08619	10.8
73.79099	4.9
81.07049	23.3
83.08620	6.9
85.10174	6.0
91.05499	6.7
93.07018	21.4
95.08576	23.5
105.06989	9.3
107.04947	5.1
107.08566	11.5
109.10133	11.7
115.08685	36.3
119.08559	24.5
121.06480	10.9
131.08551	10.6
133.10069	6.3
135.08017	5.7
135.11681	5.3
145.10110	11.4
149.05923	5.3
157.10065	5.8
159.08012	9.5
173.09590	24.1
175.14894	5.9
185.13255	6.8
201.12714	26.9
215.01932	5.2
227.17982	5.5
253.28194	6.4
261.14835	8.1
285.18533	8.6
285.22061	6.4
303.19577	23.8
349.94705	5.4
397.30698	47.3
415.31995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3199
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
50.95711	3.1
52.55760	2.9
54.70316	3.1
55.05519	4.1
57.07047	5.6
66.82617	3.3
81.07043	24.7
89.07790	3.0
93.07021	4.0
94.70166	3.4
95.08596	16.3
98.04814	3.4
105.06987	4.1
107.08590	6.1
109.10101	7.3
119.08549	8.8
121.10126	7.7
123.11660	4.9
127.11144	5.8
133.10159	8.0
135.11697	6.9
145.10028	3.7
147.11673	14.2
157.10141	5.3
163.11183	3.9
166.24263	3.3
175.11188	5.4
196.94113	4.1
261.88916	4.0
415.31992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30936	5.7
55.05506	10.0
57.07071	30.7
62.33244	5.6
67.05485	11.6
69.07061	100.0
70.92841	5.9
80.50843	5.3
81.07048	40.5
83.08611	32.7
93.07034	26.5
95.08581	41.8
97.06507	35.5
97.10187	10.3
105.07036	7.0
107.08578	43.5
109.10143	32.3
111.08070	8.1
111.11665	21.9
121.10095	26.3
135.11682	96.6
139.11140	9.6
149.13298	7.9
153.12697	85.7
171.13737	53.7
191.17917	23.7
209.19034	46.5
218.84363	7.3
227.20026	47.2
239.53140	7.2
307.98413	6.2
326.70047	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	415.3568
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
55.05528	1.8
56.92577	0.5
57.07076	6.2
57.35262	0.5
60.24998	0.6
61.79583	0.5
67.05487	1.3
69.07064	6.4
71.08627	7.0
71.62591	0.6
73.19032	0.6
75.39006	0.6
76.23228	0.6
77.50533	0.5
79.05499	1.4
81.06611	1.0
81.07056	21.9
82.37334	0.6
83.08617	7.0
85.10169	2.6
91.05494	0.9
91.26431	0.6
93.07034	3.9
95.08604	16.9
97.06532	2.7
97.10159	6.5
105.07018	2.5
107.04915	2.3
107.08583	6.2
109.06567	0.6
109.10150	7.7
111.11706	2.7
119.08552	2.5
121.06552	0.8
121.10152	4.4
123.11732	4.6
125.05935	1.1
131.08537	1.2
133.10114	3.8
135.08018	0.7
135.11700	6.7
137.13226	2.7
143.08524	0.9
145.10085	4.6
147.11682	5.2
149.09622	2.8
149.13275	2.7
157.10112	5.7
159.11679	6.4
161.09552	2.4
161.13287	1.4
163.11194	2.9
163.14784	1.4
171.11671	2.4
173.13268	3.1
175.11160	10.8
177.12741	1.0
179.18024	0.7
185.13295	2.3
187.14748	1.4
189.12785	1.5
199.14864	1.1
201.12695	1.2
211.14806	1.3
213.16322	1.3
215.14349	0.9
223.72501	0.6
229.15866	2.4
239.17888	1.0
253.19461	2.3
379.33588	3.1
397.34546	8.9
415.35669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02889	0.5
69.03403	0.8
81.03381	2.1
85.02876	3.0
85.05470	0.5
109.02859	2.0
118.73463	0.4
119.04906	2.8
147.04375	100.0
165.05403	5.0
167.11198	0.4
181.99751	0.6
194.04774	0.4
237.11197	0.7
246.74196	0.5
248.45613	0.4
276.79895	0.5
291.08618	1.9
304.61514	0.5
309.09583	9.3
313.93274	0.5
319.08133	0.5
389.89825	0.6
410.64618	0.5
416.19080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1539
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
69.04527	2.9
98.20296	0.6
114.09150	0.8
115.05415	1.1
117.06998	3.0
123.04424	1.0
125.02405	0.8
145.06483	6.1
151.91579	0.7
155.05952	1.1
167.07002	100.0
173.05934	25.0
178.08136	0.6
181.04913	23.8
191.07016	0.8
201.05424	1.0
205.08496	5.4
233.08075	3.7
235.09660	3.7
387.14371	4.7
417.15372	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	417.2494
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
58.06595	27.8
65.85525	0.6
69.07030	0.7
81.07066	0.6
86.09677	4.2
86.16520	0.5
89.06006	1.1
91.05491	0.7
93.07028	2.5
95.04932	0.6
95.08584	0.8
97.06522	0.7
99.14981	0.5
103.05411	0.9
105.06973	1.1
109.06464	0.5
109.29539	0.5
113.07126	0.7
115.08668	30.1
121.06474	3.4
131.04895	1.1
134.09633	100.0
143.08138	62.2
143.09300	1.0
154.98979	0.5
162.09109	4.5
167.06999	9.1
171.14885	1.1
173.06000	0.8
180.10208	2.7
181.04950	3.3
185.57095	0.5
190.08617	0.6
191.07018	2.5
191.11798	2.6
199.10823	0.6
199.14407	2.3
210.15884	3.7
219.11214	7.5
223.13133	2.4
238.15434	9.4
245.12813	0.6
256.16562	3.0
275.17444	0.6
275.72205	0.6
304.16476	17.6
309.70786	0.5
314.18655	0.7
329.18558	3.2
332.19501	0.8
334.96344	0.5
335.86682	0.5
360.22717	1.1
417.15445	2.8
417.24997	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	417.274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53197	0.8
59.05831	1.2
59.06120	34.0
64.57517	0.7
81.07076	0.9
85.07655	49.0
86.06055	1.0
95.08593	1.3
98.98454	0.9
99.78490	0.9
103.08692	100.0
119.01627	0.8
119.08568	3.6
120.08913	1.8
121.14600	0.9
134.64175	0.8
141.96126	0.7
155.01022	1.2
228.55351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86012	0.4
60.78774	0.3
88.77166	0.3
92.17533	0.7
94.92999	11.1
104.67196	0.4
112.50557	0.5
120.94524	2.8
136.94005	100.0
148.94000	32.7
162.95613	0.5
166.95049	25.8
178.95001	3.3
190.95090	0.5
196.96117	8.6
208.96089	0.6
220.96181	0.5
238.97075	0.8
256.98184	15.6
278.68988	0.4
410.89740	0.4
415.24619	0.4
419.03430	55.1
440.65808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0972
Annotation	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.17753	1.2
59.47643	1.0
60.15489	1.2
61.36940	1.3
65.21947	1.1
83.17057	1.3
99.04441	1.5
106.94350	1.5
153.01813	2.5
181.04990	2.8
191.06992	3.2
209.07979	1.6
251.72710	1.5
255.06436	10.6
256.07257	18.9
284.06769	73.1
287.05573	6.5
299.05484	71.0
301.06860	2.0
306.33017	1.5
311.05518	12.0
312.06262	11.5
315.05014	9.6
316.05811	2.0
329.06467	23.0
330.07220	7.2
331.08099	33.0
401.22916	1.6
419.09677	100.0
419.24350	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	419.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06808	0.5
57.07062	5.2
69.98154	0.3
70.74168	0.4
78.78568	0.4
119.08533	0.6
121.10064	0.4
152.95702	0.4
209.12796	3.3
210.11198	0.8
218.12848	0.9
219.11279	0.5
275.17453	2.0
275.54715	0.4
292.20145	5.0
293.18564	7.8
302.18542	13.3
358.24884	1.9
376.25858	100.0
394.26938	1.8
419.29706	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	419.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
99.04426	0.6
111.04478	0.5
118.21031	0.5
125.05960	2.1
126.52072	0.4
141.05440	3.9
153.05447	100.0
167.07008	0.4
181.08681	0.5
282.81949	0.5
419.35156	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	420.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.2
69.03415	9.7
78.03441	2.1
81.03398	10.0
84.04443	1.5
85.02883	8.9
85.83234	1.6
93.50961	1.3
94.50092	1.4
97.02860	6.1
99.04408	2.6
103.58564	1.7
106.02899	43.1
109.02857	11.3
110.07130	8.5
114.09141	17.2
124.03922	100.0
127.03888	10.7
189.35574	1.6
193.08493	2.1
215.80890	1.6
219.01688	2.6
237.02727	6.0
250.07130	8.2
258.09656	10.7
261.10791	2.1
268.08054	35.8
276.07346	2.1
291.07520	2.0
300.99115	1.5
303.07306	3.4
314.73248	1.5
321.08411	12.3
420.11301	13.5
420.14975	19.4
420.19830	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	420.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.1
55.05502	5.8
57.03432	12.0
59.04990	2.5
60.40216	1.3
62.39748	1.3
66.03929	1.5
67.05500	60.3
69.03418	1.5
69.07050	7.2
71.04985	3.0
71.08607	5.7
79.05497	10.4
81.03411	4.9
81.07054	15.7
83.04965	8.2
83.08628	9.9
85.06522	2.4
86.63612	1.2
91.05460	6.6
93.07031	15.7
95.04179	1.1
95.04945	3.0
95.08592	17.6
97.06512	3.1
97.10153	4.8
99.08088	6.3
103.03941	5.8
105.07039	2.3
107.08582	7.1
109.10142	77.9
111.08096	6.2
119.08568	7.6
121.10136	5.4
125.09550	1.9
131.08514	1.7
133.10112	2.8
135.11693	6.5
137.09581	6.6
139.11165	30.8
140.25551	1.4
145.10141	2.0
147.11581	1.9
151.11075	4.5
155.10622	7.1
163.11172	6.3
173.11717	15.4
175.11154	1.9
177.12845	2.2
193.12277	5.9
229.14310	100.0
242.09525	1.6
255.15799	1.9
267.15976	2.0
270.18604	1.6
275.20053	2.5
285.16852	2.1
292.15262	1.5
293.21030	6.3
367.24731	6.2
384.64850	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	420.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.6
62.39134	3.7
64.83224	4.0
67.05177	4.6
67.05492	39.7
69.07046	6.2
69.64185	3.7
79.05489	8.5
81.07041	17.8
83.08606	5.6
91.05452	8.1
93.07035	17.8
95.08585	18.1
97.10186	7.7
97.54903	4.3
105.07016	9.0
107.08595	18.2
108.17804	4.0
109.10129	75.2
119.08554	9.0
121.10094	9.5
125.09587	8.0
127.56088	4.2
131.08563	8.3
133.10135	10.7
135.11665	4.7
137.09555	4.1
144.97098	4.5
145.10101	5.7
149.09531	4.4
155.10692	20.8
173.11655	31.7
229.14279	100.0
275.20004	9.0
297.43860	4.5
349.23688	24.6
367.24701	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	420.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.4
59.54946	3.4
62.23318	4.6
63.41648	3.8
65.80108	3.4
66.48575	3.6
67.05486	21.2
68.82715	3.4
69.07045	8.9
71.08615	6.3
76.43797	3.8
76.53616	4.0
77.10363	4.1
79.05486	6.9
81.07048	30.1
82.38803	3.7
83.08622	5.0
93.06995	5.4
95.08582	22.4
97.10174	4.7
97.71567	4.1
107.08572	5.0
109.10142	7.2
121.10093	5.1
123.11654	5.9
124.08681	27.9
139.62021	4.8
279.23151	10.3
338.26825	33.8
379.29526	16.3
403.25583	25.7
420.32095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62085	1.2
52.78494	1.2
55.05505	3.3
55.65741	1.1
56.62499	1.3
57.03438	10.6
57.07077	32.3
67.05496	9.7
69.07051	8.8
79.05479	5.5
81.07053	15.0
83.08609	6.3
85.06540	19.4
91.05451	1.6
93.07030	9.0
95.08601	10.7
97.06516	6.8
97.10167	1.6
102.14703	1.3
105.07017	1.9
107.08595	14.0
109.06503	13.4
109.10168	6.2
111.08047	1.8
119.08582	6.9
121.10135	9.4
123.08050	7.0
123.11692	3.0
124.55499	1.6
125.05991	2.2
133.10130	7.2
135.08047	9.4
135.11681	2.9
137.05957	28.0
139.07526	2.5
139.55222	1.4
145.10117	1.7
147.11670	2.9
149.09505	1.7
149.13266	2.2
151.07468	1.9
151.11195	1.9
153.12733	2.2
157.10081	2.0
159.11684	2.6
165.12701	8.6
175.11145	2.2
177.12790	9.3
200.49609	1.5
207.13800	9.9
214.02457	1.4
224.29437	1.4
263.19937	2.5
301.25220	2.2
305.52789	1.5
309.29761	3.4
319.26282	6.0
347.25739	43.9
365.26721	15.1
393.29904	6.2
421.29483	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	421.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	5.4
67.89783	0.6
73.82938	0.5
75.57256	0.5
76.06670	0.6
85.06534	0.6
105.50533	0.7
107.08601	0.8
135.07996	0.7
155.86923	0.6
209.12790	3.7
275.17438	0.7
292.20084	4.2
293.18484	9.1
302.18503	10.5
347.25671	0.7
358.24734	1.2
376.25833	100.0
378.26477	3.8
394.26883	3.4
421.31708	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	422.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74015	2.0
53.56073	1.7
55.05505	5.5
58.98978	2.2
65.72028	1.9
69.03412	4.4
70.82603	1.9
73.06550	32.7
81.03400	13.2
84.04501	2.7
85.02895	4.1
90.17726	2.1
97.02911	3.0
101.06001	43.3
109.02885	3.1
111.67902	2.3
121.02837	11.1
124.73421	2.4
127.03899	4.8
132.04469	9.7
148.88408	2.2
162.05461	12.3
164.03386	10.2
181.08607	3.0
188.03395	100.0
259.11655	21.4
367.42868	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	422.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20650	2.6
54.19180	2.9
55.05504	36.9
55.85895	3.1
57.03415	15.3
67.05492	98.3
69.07063	27.6
71.04960	5.0
78.06031	3.2
79.05485	23.9
81.07044	100.0
83.04947	5.4
83.08614	36.2
85.06506	4.0
91.05456	13.5
92.38765	3.4
92.76363	3.4
93.07016	48.5
94.56277	3.4
95.08583	25.2
97.06506	5.1
97.10133	13.2
99.08091	4.2
105.07002	17.1
107.08556	27.9
109.10128	64.8
117.06937	5.2
119.08521	12.8
121.10138	19.8
123.11674	20.0
125.09557	7.0
133.10083	14.0
135.11665	7.6
137.09621	6.2
147.11676	20.7
149.13167	8.0
155.10677	5.3
159.11647	6.9
165.12689	17.6
171.11658	3.7
173.11665	22.2
177.22105	3.4
195.13770	14.7
229.14299	49.6
263.26205	4.0
269.17441	25.9
343.39563	3.5
387.27521	25.3
422.30289	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	422.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05510	6.2
57.03432	9.5
57.07072	1.6
59.05018	1.5
61.57497	1.0
64.94655	1.1
66.58543	1.1
67.05158	2.5
67.05500	54.2
69.03416	1.2
69.07053	13.0
70.84171	1.2
71.04967	2.8
71.08630	12.7
79.05484	10.8
81.03408	1.1
81.06612	2.1
81.07056	42.5
83.04972	3.0
83.08617	19.2
85.06562	2.8
85.10174	2.6
91.05453	11.5
93.07030	34.3
95.04958	2.5
95.08595	24.8
97.06553	8.8
97.10151	11.5
97.41793	1.1
99.08092	14.6
103.03893	1.6
105.07031	8.5
107.08591	20.4
109.10146	73.6
110.11094	1.3
111.08058	12.1
113.09661	1.4
117.07002	6.0
119.08549	13.7
121.10128	14.9
121.38061	1.4
123.08044	1.4
123.11673	6.4
125.09624	13.2
131.08530	7.2
133.10123	13.2
135.08052	1.7
135.11678	14.5
137.09593	7.9
137.98360	1.3
139.11159	2.7
147.11653	6.7
149.13243	29.4
151.11177	7.5
153.12657	1.6
155.10634	18.9
159.11691	15.3
161.13251	5.2
163.11177	3.0
165.12753	6.8
173.11725	33.4
173.13187	2.2
175.14796	2.0
177.12708	13.8
179.14299	6.7
189.11168	4.9
189.12723	1.3
195.13797	6.6
227.12868	5.5
229.14331	100.0
241.19360	1.7
247.15410	3.0
249.22250	1.4
251.16467	2.5
269.17438	97.6
277.21591	13.8
295.22638	2.6
297.98868	1.3
351.25211	38.5
369.26248	31.0
422.25461	3.0
448.92603	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	21.8
57.03422	10.4
60.13037	7.6
67.05494	67.8
69.03410	12.2
69.07069	36.4
71.04983	11.8
79.05476	63.1
81.07043	100.0
83.08609	17.3
91.05472	15.0
92.17398	10.4
93.07032	81.6
94.36579	9.7
95.08593	87.1
97.02879	71.5
97.06517	12.6
99.04427	11.4
105.06992	38.3
107.08559	60.2
109.10149	36.5
113.00013	69.7
119.08565	22.7
121.10105	61.2
123.11634	9.9
127.03944	14.5
131.08549	16.9
133.10124	13.9
135.11673	37.9
137.57445	9.1
145.10104	37.6
147.11607	10.7
149.13199	11.8
169.02568	82.3
173.13220	10.8
245.91560	9.7
261.22147	42.2
275.20306	9.8
311.25677	43.7
357.24118	12.5
423.32632	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	13.3
69.07066	7.1
71.04956	4.0
76.85459	2.9
81.07045	24.2
82.46729	2.8
83.08585	11.2
93.07024	18.9
95.08585	18.5
97.10100	3.8
107.08575	15.7
109.06509	4.2
109.10133	18.5
119.08582	7.2
121.10101	14.0
123.08044	46.4
133.10081	5.5
135.08080	7.5
135.11697	6.3
145.10088	8.0
147.11644	6.1
151.07527	4.1
157.10138	3.3
161.13278	3.5
177.12781	5.1
179.14249	37.8
275.20105	14.1
287.62125	3.2
303.26917	4.1
331.26135	35.5
357.51385	3.3
423.31271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44872	1.8
54.32262	1.6
55.05503	3.5
64.98405	1.8
67.05481	8.4
69.07056	22.0
79.05491	4.2
81.07042	54.1
83.08619	5.6
89.72536	2.0
91.05463	3.2
92.17200	11.1
93.07016	14.3
94.68587	2.0
95.08585	36.3
97.10188	3.8
105.06967	3.1
107.08585	18.5
109.10135	26.9
113.88650	2.4
119.08565	3.8
121.10116	15.9
123.11691	18.7
135.11679	11.0
137.09636	4.4
137.13234	10.8
147.11670	4.2
149.09578	3.8
149.13255	23.2
161.13254	2.5
163.14810	3.0
165.09081	100.0
175.14714	3.2
177.09079	3.4
178.15749	2.3
178.23825	3.0
179.10699	4.2
191.10663	5.0
201.16345	3.6
203.10655	4.6
203.17816	3.4
205.12198	16.0
205.19495	3.1
231.13889	4.0
280.31641	2.7
423.31747	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	424.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32520	0.7
67.13874	0.8
105.07045	1.2
107.08604	1.4
109.06477	1.2
119.08544	3.6
121.10123	3.5
133.10103	1.8
147.08029	4.5
149.13258	1.2
159.11684	5.8
160.51823	0.9
173.09651	1.5
177.12688	1.5
187.11116	1.7
201.12735	1.2
201.16388	1.6
215.14294	3.3
229.15842	13.3
239.17911	3.2
243.17476	1.1
267.17371	3.9
285.18484	7.7
303.19504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.9
62.06077	28.0
62.98406	4.7
64.51476	4.6
67.05486	21.0
69.07053	28.4
75.56001	3.8
75.78727	3.9
77.93040	4.2
81.07026	7.5
82.53334	4.3
83.08603	11.2
93.07041	9.6
95.08601	10.8
97.06509	7.7
97.10159	5.2
98.98454	10.0
107.08548	8.1
109.10132	21.4
121.10119	11.7
129.05463	6.5
135.11682	6.5
149.13217	6.6
154.20872	4.5
191.17950	9.0
216.57060	4.3
242.66284	5.1
252.23207	10.9
283.22623	100.0
302.49603	5.5
406.23489	28.5
424.24460	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	424.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67142	0.7
55.30742	0.8
61.66238	0.9
67.05484	1.5
69.07050	9.6
72.11554	0.8
74.40492	0.8
79.42185	0.8
80.43971	0.9
81.06570	1.3
81.07041	27.9
82.07361	2.2
89.06017	1.9
90.28984	0.9
93.07027	6.2
95.08586	10.4
96.08951	1.0
98.20475	0.8
107.08577	2.2
109.10099	6.9
119.08540	1.2
121.06458	0.9
121.10120	5.0
123.11666	3.8
135.11632	2.2
136.08806	5.1
137.09579	2.0
137.13206	1.4
149.09549	1.0
149.13271	1.9
164.08269	27.6
165.09059	100.0
166.09389	7.0
177.09038	1.9
179.10649	1.7
189.09169	1.5
191.10620	4.1
203.10609	21.5
204.11259	1.2
205.12233	9.3
206.12807	0.9
217.12268	1.4
219.13782	0.9
220.14565	1.9
232.14299	1.8
243.13741	1.1
424.33261	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	425.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82618	0.5
58.21601	0.6
71.06456	0.5
71.33652	0.5
82.99805	0.7
86.14539	0.5
92.16918	0.7
101.00843	1.3
119.01865	6.7
127.02347	0.6
131.01878	1.1
143.01869	32.9
145.03447	5.3
155.01851	11.5
157.03468	2.7
161.02913	54.0
167.01830	6.4
169.03436	1.2
171.04988	1.2
173.02919	22.1
175.04436	0.8
179.01878	2.7
179.03931	0.6
185.02914	43.0
187.04477	4.5
191.04005	7.0
197.02888	14.0
203.03970	14.3
209.02986	0.9
215.03946	11.0
221.04991	1.8
227.03984	12.0
233.37990	0.5
239.03786	1.0
245.04996	100.0
257.04996	5.0
263.06046	19.6
263.08652	0.9
275.06061	6.6
279.26373	0.6
293.07211	1.2
305.07111	8.9
335.08102	3.8
342.56543	0.6
365.09216	17.4
383.10355	0.6
425.11322	21.9
425.16821	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	425.2888
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
50.81339	3.6
51.84026	3.5
52.26371	3.8
55.05495	26.3
57.03419	5.0
57.07069	7.7
67.05497	71.2
67.42460	4.2
69.03412	38.3
69.07046	31.6
70.72643	4.8
71.04980	5.6
71.08595	4.8
73.02869	4.5
79.05480	27.8
81.03403	58.9
81.07039	100.0
83.08603	22.2
85.02888	16.7
91.05447	20.1
93.07014	53.1
95.04968	7.0
95.08578	83.5
97.02894	6.8
97.06482	4.3
97.10125	9.7
99.04435	9.4
100.32201	4.7
105.07016	40.3
107.08577	39.8
109.06514	5.6
109.10124	36.4
111.04408	6.4
111.05515	4.7
111.08068	7.9
111.09171	6.0
117.07002	9.9
119.08553	39.8
121.10086	40.1
123.11664	21.4
129.06979	7.2
131.08557	23.6
133.06485	7.5
133.10124	25.0
135.08093	5.4
135.11662	21.1
137.13260	5.9
145.10133	21.5
147.07947	4.8
147.11649	17.7
149.13219	7.4
159.11699	7.7
161.09549	5.5
161.13257	21.3
163.10898	4.8
171.11649	9.3
173.13202	7.0
175.14751	10.5
185.13222	5.8
187.14755	5.7
202.04712	7.7
203.14383	4.6
245.79826	4.1
263.23584	9.2
293.24741	7.1
298.04678	4.5
305.24652	8.1
327.26752	4.9
343.25998	5.4
353.24762	7.5
371.25528	33.3
389.26685	51.0
407.27704	63.5
422.50436	4.4
425.29147	30.5
430.81882	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	425.2893
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
53.00322	2.1
53.03925	2.7
55.01866	3.8
55.05509	25.6
57.03436	10.1
57.07074	16.6
61.54080	1.7
67.05501	79.3
68.07709	1.7
69.03429	32.0
69.07054	35.6
71.01353	1.8
71.04962	4.6
71.08630	16.8
73.02903	3.4
79.05489	31.6
81.03408	43.6
81.07050	100.0
83.04961	10.6
83.08618	27.4
85.02903	10.7
85.06532	3.5
85.10171	4.6
91.05468	25.0
93.07037	52.7
95.04949	11.7
95.08598	75.7
97.02859	14.6
97.06531	4.8
97.10172	13.4
99.04433	9.7
99.08096	3.3
103.03960	3.0
105.07014	34.8
107.04935	4.5
107.08589	38.9
107.85788	1.9
109.02912	3.0
109.06489	3.8
109.10149	40.0
111.04426	9.5
111.08044	4.0
112.99986	26.8
117.06970	15.0
118.29805	2.1
119.08555	28.2
121.06460	8.6
121.10122	28.6
123.11716	16.6
125.09571	2.6
127.03922	9.0
129.07024	5.0
131.08539	28.7
133.10120	23.5
135.07996	3.4
135.11678	15.4
137.13261	8.1
139.11246	2.6
143.08543	8.7
145.10110	14.6
147.08032	8.9
147.11679	21.7
149.09634	2.3
149.13274	8.5
151.07549	11.5
151.11151	3.7
151.14851	3.1
157.10133	4.5
159.08012	3.8
159.11636	3.1
161.09572	4.5
161.13292	14.4
163.11143	3.1
163.14807	10.6
165.12666	2.2
169.02585	33.6
169.10107	3.8
171.11632	7.6
173.09584	2.9
173.13203	11.7
175.14842	10.3
177.12798	3.1
177.16393	3.2
179.14252	2.2
181.10036	2.1
187.14708	7.1
189.16339	3.2
195.13750	2.7
199.14755	3.1
213.16405	3.0
215.17758	2.2
217.15900	2.1
227.14413	2.2
261.22174	7.6
263.23718	13.5
275.23907	2.4
279.23474	3.0
285.78934	2.3
287.23666	3.6
291.23148	10.9
293.24734	8.2
305.24585	4.7
313.27280	11.5
315.22949	2.7
317.24796	7.4
321.24207	2.4
329.24722	3.3
333.24203	2.6
343.26352	3.0
347.25818	3.2
353.24814	10.8
371.25732	34.2
389.26804	38.6
407.28049	56.5
425.29010	24.6
425.34079	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	425.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05505	5.1
57.03433	9.5
57.07075	28.4
57.27183	0.9
59.93459	0.8
61.86785	0.8
67.05496	33.8
68.68249	0.8
69.03407	2.0
69.07058	15.5
71.01347	0.9
71.08623	19.5
79.05482	5.4
80.33887	0.9
81.03406	5.0
81.07050	41.4
83.04976	1.4
83.08614	13.3
85.02895	1.2
85.10177	12.2
88.02731	0.9
91.05457	4.3
93.07030	8.4
95.08595	39.1
97.02870	18.7
97.06528	1.6
97.10167	7.7
99.04443	5.5
99.64275	0.9
105.07047	5.2
107.08587	8.0
109.02847	2.0
109.10143	12.6
113.00005	80.2
119.08575	2.2
121.10149	5.6
123.11684	8.4
127.03909	8.0
131.08481	1.3
133.10114	5.5
135.11711	2.0
137.13240	1.9
147.11667	1.5
149.13226	1.5
151.14787	0.9
161.13206	1.6
163.14824	1.0
165.09071	0.8
169.02580	100.0
175.14876	1.5
177.16519	0.9
187.03714	1.3
239.23769	1.3
245.22708	1.5
261.22089	1.8
263.23676	13.8
310.68051	1.0
313.27344	39.7
331.26404	3.4
341.24710	1.6
357.23703	0.9
359.25519	7.7
407.25439	17.0
425.29306	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	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.82615	2.9
55.05498	15.7
57.03445	4.0
57.07078	39.7
58.21052	2.7
67.05499	13.0
69.07058	25.0
70.62247	2.8
71.08630	25.5
81.07047	35.6
83.08607	23.0
85.10167	13.3
89.06016	15.0
91.05434	4.6
93.07029	13.7
95.08587	51.4
97.10121	5.1
101.01558	3.0
102.55064	2.9
105.07023	6.9
107.08594	17.9
109.10145	19.4
112.99994	69.7
119.08569	18.5
121.10099	14.4
123.11665	6.0
128.56450	2.7
129.18359	3.8
131.08545	4.2
133.10130	20.7
135.08102	3.6
135.11664	5.6
137.13243	7.8
145.10146	5.6
147.11658	12.6
149.13268	3.7
149.71344	3.0
151.07503	16.1
157.10153	3.7
159.11632	7.8
161.13268	12.1
163.14702	3.4
169.02579	88.2
171.11685	4.7
173.13246	5.6
187.14636	3.5
191.10629	6.6
201.16370	5.4
239.14871	7.3
239.17603	3.9
240.15167	4.9
285.18509	7.7
313.27338	41.0
407.25229	10.9
407.33121	12.8
425.29153	6.9
425.34381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05489	9.1
57.07062	7.4
63.38717	4.2
64.02626	4.3
67.05481	9.1
69.06684	3.7
69.07032	35.0
71.08572	5.2
79.05487	8.2
80.35277	4.5
81.07040	23.0
83.08604	11.2
93.07007	8.5
95.08591	43.2
105.06993	10.6
107.08566	36.8
109.10129	67.7
119.08536	21.6
121.10108	31.0
123.11653	24.7
131.08560	5.7
133.10091	23.0
135.11649	25.3
137.13223	9.7
145.10085	6.4
147.11658	27.7
149.13213	11.0
159.11613	9.7
161.13194	27.2
163.14816	6.6
171.11603	7.3
173.13228	10.0
175.14780	10.6
177.16374	7.9
184.35728	4.5
185.13353	5.5
187.14803	8.0
189.16299	7.4
190.59756	4.8
190.85001	4.6
203.18044	6.6
217.19473	7.2
243.20859	5.1
407.36560	19.6
425.37967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72472	2.1
54.22649	2.8
57.07077	22.6
62.06079	21.5
62.87733	2.5
62.95506	2.6
69.07056	3.9
71.08617	15.4
71.89045	2.3
81.07023	5.1
85.10156	11.5
95.08585	14.8
95.71265	2.8
109.10136	5.7
111.87173	3.0
138.14973	2.4
158.51614	2.6
185.54735	2.5
214.00163	2.9
217.14436	3.0
220.78276	3.1
254.24817	12.3
285.24188	100.0
365.20908	5.6
408.24979	21.1
426.26083	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	427.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53956	0.4
52.79704	0.4
53.22340	0.3
55.55277	0.4
56.12152	0.4
67.32700	0.4
69.09707	0.3
84.04491	0.5
85.02901	0.4
92.17522	0.4
93.61459	0.4
96.13113	0.5
119.04896	0.5
126.05492	1.7
150.07716	100.0
175.03874	2.9
177.05396	0.4
207.06490	2.6
295.11432	25.5
299.28912	0.5
364.13211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01878	3.4
55.05509	30.3
57.03423	4.8
57.06843	2.7
57.07073	44.8
59.08093	2.5
67.05503	55.8
69.03410	28.7
69.06700	4.0
69.07059	96.1
71.04967	4.6
71.08620	28.5
73.02880	3.3
73.14339	3.0
79.05470	25.2
79.26576	2.3
81.03405	59.1
81.07050	100.0
83.04983	6.9
83.08609	73.8
85.02888	17.0
85.06528	4.6
85.10165	11.6
91.05460	15.7
93.07027	44.0
95.04942	14.4
95.08591	90.3
97.02863	12.9
97.06505	14.2
97.10149	51.9
99.04428	6.7
99.08104	3.9
101.96999	3.0
102.89684	2.9
105.07025	35.8
107.04962	2.8
107.08575	42.4
109.02847	3.6
109.06476	5.8
109.10139	55.1
111.04441	12.1
111.08046	19.1
111.11684	15.6
117.06986	5.2
119.08544	37.3
121.06473	6.7
121.10110	44.6
123.08008	7.0
123.11680	30.6
125.09582	3.7
125.13227	3.0
127.03919	5.7
131.08522	18.8
131.68138	3.8
133.06459	4.0
133.10121	27.9
135.08044	4.4
135.11682	37.9
139.11166	4.2
143.08553	6.9
145.10106	17.9
147.08075	10.8
147.11636	33.6
149.13231	18.8
157.10069	14.9
159.11647	18.0
161.09561	3.1
161.13252	14.5
163.11177	6.1
163.14725	3.5
165.12804	3.5
171.11662	13.2
173.09564	13.2
173.13213	13.2
175.07431	3.5
175.11203	6.3
177.12692	3.9
177.16367	3.9
181.15836	3.1
183.11674	3.5
185.13217	5.0
187.14729	5.9
189.12663	3.5
191.10619	4.5
197.13240	4.7
199.14845	3.9
207.13713	3.2
209.13217	3.7
215.14291	3.3
215.17926	4.7
217.19531	4.7
247.24193	5.4
265.25223	17.7
277.25238	3.5
285.18616	3.6
287.19907	2.9
301.21771	4.2
305.24594	4.4
323.25748	4.4
324.32553	85.6
373.27289	35.4
381.71234	4.4
391.28482	48.2
391.33447	5.7
409.29538	59.3
409.34653	44.5
427.30313	40.8
427.36337	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	427.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93454	1.3
53.03955	1.3
53.37717	1.2
55.01867	2.9
55.05513	18.5
57.03430	10.9
57.07075	7.0
57.53825	1.4
61.02932	11.0
67.05499	55.9
69.03423	100.0
69.07070	17.7
71.04971	7.8
71.08627	2.7
79.03634	1.4
79.05502	12.6
81.03413	10.0
81.07052	62.0
83.04971	41.1
83.08612	13.7
85.02888	19.9
85.06499	1.4
85.10188	1.7
87.04448	3.1
89.34797	1.4
91.05473	7.5
93.07018	14.8
95.08596	55.9
97.06484	3.1
97.10145	6.5
99.04440	21.7
99.08092	2.0
103.03941	2.0
105.07011	8.8
107.08559	12.4
109.10138	26.5
111.04436	22.6
119.08569	2.1
121.10127	11.7
123.11681	9.3
129.05458	62.7
129.06351	3.0
133.10126	9.5
135.11670	8.9
137.13223	3.0
147.06509	17.7
147.11676	7.8
149.13229	7.1
154.75284	1.7
161.13249	2.7
163.14857	2.3
165.07565	7.8
165.16429	1.7
175.14754	2.7
230.40024	1.5
245.22559	11.9
263.23712	16.9
273.08453	1.7
353.17792	2.4
409.29462	65.9
409.34958	2.2
427.31030	9.5
439.47180	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	427.3203
Annotation	CHEBI:70578
Peak:m/z	Relative Intensity
51.98243	1.1
54.81719	1.2
55.05515	12.8
57.03427	1.4
57.07068	6.8
64.33490	1.1
67.05489	9.2
68.68265	1.3
69.03417	5.8
69.07061	18.5
71.08610	3.1
79.05470	2.8
81.07059	17.2
83.04977	2.1
83.08619	20.5
91.05454	2.3
93.07028	15.1
95.08595	20.6
97.06480	2.4
97.10143	11.6
105.07003	6.7
107.08601	19.0
109.10135	12.0
111.04451	2.4
111.08049	2.1
111.11686	2.1
119.08570	5.8
121.06480	7.2
121.10139	16.3
123.11682	14.8
129.05486	2.5
131.08522	2.0
133.06476	2.7
133.10085	3.1
135.08014	3.1
135.08971	1.5
135.11653	7.2
137.13254	2.5
143.08522	2.3
145.10104	5.8
145.93973	1.4
147.08009	1.9
147.11641	2.1
149.05914	1.7
149.09560	1.4
157.10127	5.3
159.08038	8.6
159.11652	6.8
161.09607	2.6
171.11676	3.3
173.09602	5.6
173.13217	2.7
175.11148	1.6
175.14842	1.6
177.16336	2.0
183.11740	4.9
185.13260	3.2
187.11209	2.0
197.13272	5.5
199.14851	3.0
201.12737	13.9
211.14854	1.9
213.12636	6.1
213.16429	1.8
215.14253	5.8
223.14838	2.0
225.16432	1.5
227.14359	5.5
229.15857	1.7
231.13734	2.6
235.13118	2.3
241.15868	1.7
245.15146	2.1
247.13396	2.8
249.16150	1.5
261.14847	2.8
278.39893	1.4
283.20462	1.6
285.18433	3.2
295.20847	1.7
301.21326	1.5
303.19516	2.2
313.21646	2.0
321.32550	1.5
325.21594	2.6
327.86652	1.5
331.22498	1.7
339.23193	5.7
353.24649	3.2
357.24191	3.4
391.29984	1.9
397.84952	1.7
409.30862	22.5
420.45190	1.6
427.31970	100.0
438.02542	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	427.3203
Annotation	CHEBI:70578
Peak:m/z	Relative Intensity
52.90157	0.7
55.05504	6.6
57.07056	5.4
67.05478	4.5
68.06432	0.8
69.03406	1.8
69.07057	10.5
71.08616	1.7
79.05478	1.3
81.03378	1.4
81.07045	13.0
83.08609	5.9
85.02880	1.3
85.10207	0.8
88.70945	0.8
93.07031	10.0
95.08595	21.7
97.02875	5.8
97.10141	5.8
101.61640	0.8
105.07022	4.0
107.08573	6.0
109.06532	1.3
109.10142	7.7
116.40968	0.7
119.08545	3.4
121.06481	5.1
121.10120	5.6
123.11665	5.0
131.08464	1.4
131.67680	0.8
133.10089	3.3
135.08031	3.7
135.11720	0.9
137.13237	1.7
143.08548	1.3
145.10100	3.6
147.04414	1.1
147.08028	1.7
147.11681	1.5
149.05951	3.5
151.14764	5.5
159.11676	3.1
161.13258	1.1
171.11612	1.5
173.09547	3.5
173.13205	1.3
175.07527	7.4
175.11148	1.1
179.14282	1.3
182.94281	1.0
183.11581	1.2
185.13208	1.3
187.14803	1.7
197.13229	1.2
199.14767	1.0
201.12677	3.6
203.14259	1.3
207.92731	0.9
209.13242	1.1
211.14793	1.1
213.12883	1.1
229.15863	1.5
237.16220	1.1
241.15741	1.6
247.16827	2.1
261.18484	6.3
275.16299	13.6
301.17908	21.6
301.21585	11.3
373.28537	1.0
409.30789	1.8
427.31940	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	427.32
Annotation	CHEBI:70578
Peak:m/z	Relative Intensity
50.57425	2.5
55.05510	10.3
57.07065	16.7
64.35130	2.7
67.05489	5.4
69.07061	64.0
71.08583	3.3
79.05489	5.1
81.07050	35.2
81.53188	2.6
83.08621	30.0
87.42561	2.8
89.77141	2.5
91.05479	3.4
91.36520	2.9
93.07022	17.3
95.08578	32.4
97.10136	6.6
105.07012	13.8
107.08546	27.9
109.10135	24.1
111.11714	12.2
119.08559	14.7
121.10118	11.4
123.08019	3.1
123.11687	13.1
125.09605	4.0
125.13276	3.2
131.08551	6.6
133.10083	12.9
135.11649	11.2
137.13228	6.0
143.08551	5.4
145.10101	13.3
147.08093	3.1
147.11687	4.7
151.07509	100.0
151.08630	4.8
157.10086	4.8
159.11665	12.4
161.09521	4.0
161.13289	5.3
169.10124	4.6
171.11664	4.9
177.09084	7.2
183.11656	5.3
191.10616	21.9
197.13223	3.7
199.14818	5.0
205.12225	5.2
225.16368	3.6
241.49261	3.2
243.43510	3.1
255.17711	2.9
285.18549	4.8
300.92181	3.3
391.29807	4.9
405.28693	3.2
406.97809	2.8
409.30576	25.8
427.31604	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	427.3568
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
52.13664	1.0
55.05274	1.2
55.05507	20.7
55.95551	0.8
57.07070	10.6
67.05487	1.0
67.28742	0.8
67.71118	1.0
69.07055	35.8
71.08623	8.8
79.05454	1.4
79.77589	0.9
80.51967	0.9
81.07050	15.6
83.08605	86.6
87.44975	0.9
95.08585	4.9
97.10148	10.1
105.07044	1.2
107.08582	4.7
109.10136	2.0
109.89289	0.9
119.08543	1.0
121.10104	1.9
133.10091	1.8
135.11693	2.2
147.11647	1.8
157.10063	4.4
159.11652	2.1
166.48128	1.0
173.13219	1.1
175.11143	2.1
199.14720	1.4
262.94168	0.9
271.20569	2.4
271.74615	1.0
285.11810	0.9
409.34561	2.2
427.35605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99566	2.8
61.81046	1.1
62.74020	1.2
70.13211	1.4
76.02205	81.4
76.03973	2.1
84.04473	10.5
85.24218	1.2
93.07007	1.6
97.37943	1.3
103.03936	1.4
116.01652	11.5
121.06464	100.0
130.04932	13.9
136.27917	1.5
142.03180	6.2
144.01077	16.9
162.02147	48.3
170.02722	2.3
177.05418	1.7
178.44473	1.2
179.04807	35.5
187.05138	1.7
215.04840	1.9
233.05840	10.1
240.74113	1.2
245.05775	2.3
259.39923	1.5
291.06628	2.3
308.09024	72.9
308.12646	2.5
315.19406	1.4
400.44495	1.4
417.14319	1.6
428.14679	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	428.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05639	1.8
69.03408	7.3
80.67585	1.5
81.03416	3.0
84.04475	1.8
84.95490	1.9
85.02892	12.7
86.06049	40.7
87.04457	31.2
97.02854	8.2
99.04443	1.6
104.07071	9.5
108.04458	3.0
109.02843	11.0
111.05560	7.3
118.15942	1.9
121.02870	2.0
126.05534	1.9
127.03882	16.1
128.08171	23.1
129.05551	1.6
129.06570	6.5
145.04912	7.9
146.08133	2.0
146.09216	45.4
162.05428	2.2
177.27887	1.9
188.10312	11.8
248.12036	2.3
262.06909	1.7
272.12262	14.6
290.10828	1.7
290.13382	63.8
308.14426	34.6
428.16522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55095	0.3
53.67764	0.3
57.32811	0.4
58.06569	0.6
60.08164	8.0
62.27517	0.4
70.68855	0.4
71.07367	0.7
76.57433	0.4
83.08619	1.1
85.95992	0.4
86.09696	30.7
92.17393	0.7
97.10174	3.1
104.10732	81.2
107.08524	0.7
115.14632	0.4
115.97102	0.4
120.08085	0.6
120.15869	0.4
124.03860	0.5
124.99982	11.1
125.09646	5.3
163.01543	0.5
184.07314	100.0
189.11195	3.0
227.12645	0.8
245.13737	3.1
410.19159	3.5
428.20410	52.7
443.88446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07533	1.2
55.05508	1.9
57.07062	5.0
57.63633	1.1
59.06101	1.1
61.84284	1.1
62.63213	1.2
63.99689	1.3
67.05502	2.5
67.88618	1.1
69.07048	5.5
71.83764	1.2
79.05456	1.7
80.00983	1.2
81.07050	3.2
83.07236	1.3
83.08589	2.5
85.06546	5.0
91.05434	1.8
93.07028	6.6
95.05047	1.7
95.08578	8.7
101.08394	1.2
107.08588	7.1
108.22723	1.3
109.10180	2.5
111.04429	47.7
111.08066	1.4
121.06493	2.8
121.10163	1.8
123.08173	1.3
125.05983	16.2
135.08064	1.9
135.11679	16.7
137.05952	10.9
137.13232	1.8
139.07568	2.5
141.09035	1.2
145.10126	10.5
149.13284	1.6
153.12749	6.9
163.11160	16.2
177.12758	8.3
181.12227	100.0
191.10609	1.8
198.14882	2.1
231.15860	25.2
277.18027	7.3
295.19061	1.7
299.16449	1.6
309.20609	2.9
310.17264	1.8
325.33127	2.3
368.35727	1.4
428.26749	4.4
428.31781	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	428.315
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
52.13629	0.9
53.88644	1.0
61.32156	1.0
67.05499	4.8
69.07047	1.9
81.07045	6.6
88.37354	1.1
95.08592	5.2
103.05491	1.1
109.10099	1.6
119.33684	1.1
120.08073	100.0
122.94934	1.2
131.04892	1.8
149.05904	2.0
166.08586	41.4
181.99394	1.1
382.30862	2.4
428.31702	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	429.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86417	2.2
55.05495	15.0
57.06788	3.9
57.07070	100.0
59.81316	2.1
67.05494	25.6
69.03415	24.6
69.07071	27.1
71.08250	4.4
71.08617	91.6
81.03403	18.7
81.07040	49.7
83.08604	30.9
85.02884	26.5
85.09688	3.8
85.10162	40.1
92.17472	2.8
95.08584	69.1
97.02867	13.6
97.10152	25.6
99.04430	11.5
99.11749	2.8
104.12392	2.4
109.02831	6.1
109.10142	30.8
111.11720	5.5
119.47439	2.5
121.10101	3.9
123.11687	15.8
127.03893	17.5
145.04950	12.9
177.12788	3.1
191.25340	3.1
230.14362	3.4
267.26746	56.0
285.27734	3.9
393.00330	3.1
411.31024	28.9
429.31940	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	429.3356
Annotation	Tylopiol B
Peak:m/z	Relative Intensity
55.05499	3.6
57.06842	0.4
57.07068	7.1
65.93633	0.4
67.05479	0.8
69.07048	5.4
70.83826	0.4
71.08614	6.7
74.45164	0.4
79.05476	0.4
81.07038	4.5
83.08604	8.2
85.10157	2.5
93.07029	5.4
94.92056	0.4
95.08590	7.8
97.02847	1.1
97.06532	0.4
97.10160	6.6
101.37380	0.4
105.07014	0.8
107.04909	0.4
107.08579	4.7
109.06447	0.7
109.10123	3.9
111.11681	2.2
119.08552	2.1
121.02830	1.5
121.06457	4.4
121.10123	2.4
123.08034	0.6
123.11675	1.0
123.64726	0.4
124.04589	0.4
131.08565	2.0
133.10098	3.5
135.08035	1.8
135.11670	1.7
137.09540	0.8
137.13217	0.4
145.10077	3.0
147.11639	1.7
149.09622	0.6
149.13248	0.5
153.09053	0.5
157.10103	1.7
159.08043	2.2
159.11652	2.8
161.09500	0.7
161.13196	0.9
163.14745	0.4
171.11588	0.8
173.09564	2.4
173.13219	2.2
175.11156	0.7
183.11646	0.8
185.13214	0.6
187.14795	1.9
201.12750	3.0
201.16385	1.6
211.14789	2.7
215.14247	0.8
221.15331	2.8
222.49532	0.5
225.16344	1.0
229.15829	1.0
235.20512	0.5
238.54857	0.5
247.13194	4.4
247.16882	2.7
257.19037	0.5
261.18445	6.1
263.16357	0.7
267.17422	0.9
267.26743	1.0
271.17038	1.7
275.16354	17.4
275.19873	0.9
285.18475	2.2
303.23090	33.1
319.26157	0.8
351.30447	0.5
383.32748	0.5
387.32239	3.7
393.31622	1.6
397.24286	0.5
411.32309	3.3
429.33539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3358
Annotation	Tylopiol B
Peak:m/z	Relative Intensity
51.22350	1.9
55.05511	18.5
57.07068	26.8
59.26191	1.9
65.09184	2.5
67.05498	9.7
67.15025	1.9
68.83434	2.3
68.85943	2.5
69.03415	5.8
69.07062	47.4
69.94622	2.0
71.08633	20.5
72.88322	2.3
79.05486	4.2
79.98707	2.3
81.07056	27.9
83.08607	53.4
85.10172	10.3
86.93507	2.5
88.08957	2.7
91.05470	3.8
93.07035	19.8
95.08615	29.6
97.10154	16.6
99.04431	2.6
104.05589	2.3
105.07004	11.8
107.04800	2.7
107.08588	18.4
109.06476	5.3
109.10142	16.7
111.11734	3.4
119.08575	6.0
121.06483	5.4
121.10136	11.8
123.08095	3.3
123.11658	5.9
131.08553	4.6
133.10115	14.8
135.04398	3.3
135.08000	3.5
135.11697	9.8
143.08540	2.9
145.06500	2.8
145.10097	14.2
147.11662	10.0
149.05933	3.0
149.13272	4.1
157.10078	3.0
159.08075	13.0
159.11716	9.9
161.09581	4.1
161.13272	3.6
163.11131	3.4
171.11766	5.2
173.09529	18.8
173.13171	4.7
185.13272	3.1
187.11169	5.1
187.14752	4.2
189.12836	4.2
191.10576	3.2
197.13152	3.7
199.14790	5.2
201.12704	17.0
211.14801	3.6
215.14342	4.3
223.14969	2.7
225.16327	2.9
233.15364	4.0
239.17952	12.5
243.13771	3.9
247.13228	3.4
261.14941	5.5
267.17352	4.3
285.18521	11.0
299.23706	3.5
301.17474	3.0
303.19424	13.0
327.22839	3.2
344.88620	2.6
393.31390	5.5
397.46301	2.6
411.32520	37.4
412.90857	2.8
429.33545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	HMDB12168
Peak:m/z	Relative Intensity
51.52219	0.4
55.05507	2.1
55.12486	0.4
57.07080	6.7
63.20939	0.5
67.05509	3.9
69.03451	0.7
69.07059	9.3
71.08632	7.4
72.77589	0.6
76.21066	0.5
77.05920	0.5
79.05479	3.0
81.07053	21.6
83.08621	5.6
85.10159	5.8
90.32590	0.5
91.05474	0.6
93.07048	5.0
95.08022	1.0
95.08598	18.9
97.06492	1.1
97.10155	5.5
99.11751	0.7
105.07030	3.6
107.04937	1.4
107.08588	7.9
109.06490	0.7
109.10133	7.4
111.11691	3.8
117.06975	0.7
119.08570	2.8
121.06441	0.8
121.10140	3.8
123.11658	4.0
125.06007	0.9
125.13253	0.7
131.08560	2.2
133.10114	4.5
135.08055	1.1
135.11662	6.6
137.13252	2.3
143.08519	0.9
145.10086	4.4
147.08055	0.6
147.11696	5.2
149.09613	2.7
149.13242	2.7
151.14752	0.8
157.10085	5.8
159.11681	6.7
161.09579	2.7
161.13197	2.2
162.71408	0.6
163.11172	2.9
163.14793	1.1
169.10094	0.8
171.11671	1.4
173.13243	1.3
175.11151	11.8
175.14822	0.8
177.12764	0.7
177.16385	0.9
185.13167	0.9
187.14810	2.4
189.12764	1.1
189.16339	0.7
197.13324	1.4
199.14783	1.3
201.12691	0.7
201.16377	1.0
203.14314	0.8
211.14839	2.7
213.16364	2.1
214.18689	0.6
215.14371	1.2
225.16353	0.7
229.15866	1.3
239.17810	0.8
253.19449	1.3
271.20569	1.1
330.29083	0.6
369.31799	1.0
393.35153	3.0
411.35919	5.5
413.79407	0.5
424.51855	0.6
429.37244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98135	0.4
61.02879	0.4
62.16041	0.4
69.03395	1.7
71.04963	0.6
73.02901	0.5
75.42694	0.4
77.04768	0.4
85.02872	9.1
86.09670	0.5
89.06010	4.6
97.02879	3.1
99.25392	0.4
103.03871	0.4
111.47674	0.4
115.03885	0.4
127.03880	0.9
136.06149	100.0
145.04933	3.0
153.39995	0.4
163.05949	0.5
268.10330	0.7
347.34454	0.4
364.90097	0.5
407.61349	0.5
430.15555	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	430.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92453	1.0
52.02358	1.0
55.01875	1.4
61.02913	7.4
69.03403	8.5
69.03748	1.1
73.02925	1.5
81.03408	2.6
85.02887	100.0
86.09688	5.8
90.69499	1.2
91.03920	6.0
97.02870	19.6
99.04444	5.3
106.02879	1.9
109.02853	10.0
123.19244	1.3
124.03914	2.9
127.03881	27.5
145.04929	44.2
162.96269	1.5
163.05939	15.2
251.14824	13.3
259.71530	1.3
268.08231	1.7
325.11340	6.0
448.37570	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	430.3155
Annotation	hexadecanedioic acid mono-L-carnitine ester
Peak:m/z	Relative Intensity
51.68383	2.1
51.82084	2.0
55.05500	14.1
56.54549	2.2
57.03431	5.2
57.07065	4.2
58.06580	4.9
60.04511	12.8
67.05484	33.6
68.91380	2.2
69.07072	18.6
69.07394	3.0
70.06570	3.9
71.04993	2.5
71.08616	4.2
74.06108	2.3
79.05466	17.7
81.07043	61.9
82.07321	2.1
83.08603	11.0
85.10158	2.5
91.05450	9.9
93.06998	20.5
95.08589	49.7
97.06519	3.0
97.10146	5.6
99.08055	4.6
100.11244	20.0
105.07020	12.2
107.08590	18.4
109.10149	29.1
113.09602	2.7
119.08549	12.5
121.10088	18.8
123.07993	2.4
123.11687	5.7
125.09537	3.0
126.12769	9.0
128.14374	2.9
129.05467	2.9
130.12231	5.1
131.08537	9.8
133.10071	4.5
135.11662	10.7
140.14339	4.6
145.10110	5.8
147.11665	10.8
149.09508	2.4
149.13232	4.6
153.54465	2.2
154.12209	7.5
156.07980	2.6
159.11647	4.5
161.11383	2.3
161.13126	3.0
166.15918	5.8
167.14320	2.2
172.13368	3.7
173.13298	2.7
177.12657	3.1
184.16974	2.6
187.14745	3.2
196.13348	2.6
197.00423	2.6
220.08603	2.6
220.17076	3.6
229.14412	2.4
261.22125	11.6
278.24680	27.2
296.25787	32.2
320.25735	9.6
338.26657	16.6
352.28271	4.5
370.29321	11.2
394.29498	15.9
412.30457	100.0
413.30988	3.6
430.30692	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	431.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31579	0.4
51.92456	0.4
77.49799	0.5
81.03381	1.0
85.02898	1.0
87.00830	0.6
95.00152	0.4
103.05444	0.7
109.02843	0.7
114.09112	1.1
127.03869	1.0
131.04892	5.8
137.05943	5.8
141.05435	7.0
163.07471	3.1
165.05431	21.8
175.64336	0.5
183.06483	100.0
210.86179	0.5
232.61543	0.5
254.51758	0.5
353.44748	0.5
431.11591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07047	1.4
73.17265	0.2
74.79152	0.2
79.05460	0.3
80.27534	0.2
96.08117	11.6
97.06496	0.4
100.11236	0.3
113.10744	2.3
114.09152	9.3
115.07542	0.7
124.07530	0.4
146.04872	0.2
146.05960	1.4
151.23409	0.2
187.88869	0.2
188.07022	3.1
189.10262	0.3
202.04114	0.2
205.09711	0.7
209.14458	0.4
209.16467	17.6
227.17502	100.0
295.75677	0.2
323.16153	0.3
327.18292	0.2
431.20114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3514
Annotation	Cerevisterol
Peak:m/z	Relative Intensity
53.36433	1.5
55.05511	7.7
57.07063	12.4
58.20816	1.7
59.06110	2.3
67.05492	14.1
69.07069	18.5
71.08617	10.2
72.88927	2.1
78.01051	1.8
79.05489	4.7
81.07050	40.3
83.08585	17.4
85.10175	2.7
93.07021	15.2
94.06514	2.2
95.08598	37.1
97.06512	2.0
97.07691	2.3
97.10156	12.0
105.07034	4.8
107.08573	24.5
109.06549	6.5
109.07641	3.1
109.10153	26.5
110.07150	3.1
111.09158	2.1
112.08720	8.9
112.99999	25.1
117.78005	1.8
119.08584	4.0
121.10120	12.7
123.11706	10.4
133.10103	11.3
135.11612	14.6
137.09714	1.8
137.13278	4.5
142.83073	2.0
143.08580	2.5
145.10135	12.0
147.11668	9.8
149.13242	2.9
153.11366	8.3
153.59760	2.3
157.10107	4.3
159.11702	4.2
161.09538	7.3
161.13306	2.4
162.12747	2.8
163.11252	2.4
163.14799	3.0
169.02567	25.0
170.14995	1.9
171.11655	3.4
173.09590	16.9
173.13235	2.3
175.11110	24.0
183.11690	2.9
191.10594	22.3
195.11844	3.2
213.16599	2.7
223.14920	3.3
233.22585	3.3
237.16272	2.7
241.19554	2.2
245.15254	3.0
251.17885	2.3
269.18845	4.0
287.19919	18.1
395.33087	11.8
413.34088	100.0
414.31451	3.5
431.29288	4.4
431.34909	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	431.3513
Annotation	4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
54.22213	3.0
55.05502	7.5
56.62796	3.4
57.07087	24.7
61.13654	2.8
67.05493	14.2
69.06728	2.9
69.07046	30.1
71.08614	29.9
79.05463	5.8
80.18318	3.5
81.07047	100.0
83.08601	20.3
85.10161	13.9
91.05450	4.4
93.07025	34.6
95.04993	6.2
95.08588	63.2
97.06497	6.2
97.10146	13.3
105.07003	5.5
107.08564	34.8
109.10157	26.3
112.99992	25.4
115.85638	3.1
119.08536	13.1
121.10135	24.4
123.11693	13.2
133.10103	8.0
135.11655	57.2
137.13170	5.2
145.10120	5.2
147.11647	7.5
149.13217	18.1
159.11613	5.5
163.14793	20.8
169.02580	33.6
171.11674	5.4
173.13159	4.7
175.14690	3.5
177.16429	5.8
179.10672	3.1
185.13223	6.6
227.17883	4.8
275.27228	22.6
329.90198	4.0
329.93961	3.6
355.29675	5.3
367.33484	3.8
385.34714	14.8
395.32712	4.1
413.34058	24.6
431.35287	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	432.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88156	0.3
55.01864	0.7
57.03438	0.5
58.11168	0.3
59.10102	0.3
61.02914	0.4
69.03413	3.3
69.08472	0.3
72.08127	1.0
73.06535	0.4
77.67476	0.3
81.03408	0.4
85.02892	13.5
86.09684	0.4
88.03996	0.3
90.05536	100.0
90.09167	2.5
97.02871	7.0
99.04433	1.2
104.10738	1.5
109.02899	0.5
127.03896	13.3
134.04449	0.3
145.04916	8.5
147.04372	3.5
163.05998	2.0
166.05074	0.3
175.20100	0.3
203.99258	0.3
208.34779	0.3
252.10667	0.6
253.12677	0.4
262.83243	0.3
270.11832	0.6
325.11075	0.4
343.45169	0.3
432.12216	0.5
432.17374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63999	0.4
54.26768	0.4
55.01853	0.6
57.03427	2.0
57.06838	0.4
61.02905	1.0
67.07388	0.5
69.03414	8.2
71.04958	0.5
81.03394	1.0
83.04967	3.3
83.91434	0.5
85.02889	3.2
87.04439	0.9
89.05994	0.8
91.05456	2.5
107.08576	19.4
107.09256	1.0
111.04430	3.9
113.00024	0.6
119.08556	100.0
129.05444	2.1
133.06474	2.0
135.08034	38.1
142.48853	0.5
147.06499	1.1
165.00519	0.6
172.89909	0.5
266.09274	0.6
281.13809	4.8
319.37143	0.5
415.21060	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	433.1131
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
56.48344	1.6
64.71587	1.7
75.34154	1.7
80.52795	1.7
81.03402	2.4
85.02886	4.5
86.29129	2.2
99.04433	3.0
103.03948	2.0
109.02885	3.9
121.02859	4.6
127.03893	12.7
146.70039	2.0
147.60910	2.2
181.04974	3.6
230.58942	2.0
259.06244	3.2
271.06018	4.4
283.05991	75.8
284.06735	15.3
295.06039	10.6
297.07584	15.4
309.07562	3.7
311.05487	4.6
313.07013	98.9
323.09134	29.8
325.07104	9.2
337.07095	23.0
340.92990	2.1
343.08105	7.7
351.08545	3.6
367.07990	9.5
379.08066	9.3
397.09137	19.4
415.10123	20.3
433.11234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1122
Annotation	Vitexin
Peak:m/z	Relative Intensity
53.78447	0.8
57.78077	0.8
60.40562	0.8
63.78788	1.1
72.99080	0.9
95.41743	1.1
121.02821	2.5
128.71111	1.0
141.20865	1.0
157.38248	1.0
161.54922	1.0
217.04933	2.0
228.68394	1.1
243.02812	2.1
259.05872	3.4
261.03842	1.8
271.05798	2.0
283.05930	64.0
284.06683	12.7
295.05997	8.4
297.07550	11.1
309.07538	1.7
311.05493	5.0
313.06967	94.0
323.05411	2.4
323.09012	22.6
325.07074	5.0
327.08640	1.7
337.06943	19.7
343.07944	7.7
351.08655	6.3
367.08118	6.2
379.07990	8.6
397.09155	15.9
415.10324	10.2
433.11191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.112
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.22198	0.3
58.04998	0.4
63.92834	0.3
81.03395	0.7
84.98032	0.4
85.02868	0.9
92.70766	0.4
99.04423	0.7
101.37543	0.4
109.02829	0.6
115.34835	0.4
127.03920	2.9
187.05968	0.5
202.02054	0.4
271.05939	100.0
313.06964	0.9
324.29224	0.4
433.11218	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	433.1126
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
63.49800	2.0
80.23766	2.4
81.03413	2.4
85.02894	7.7
95.04968	2.0
97.02920	2.6
99.04476	3.0
109.02901	4.0
121.02850	4.2
125.59943	1.8
127.03919	10.2
130.99352	1.7
187.06059	2.9
217.04916	2.7
259.05945	2.8
271.06021	4.5
275.05084	2.0
283.05963	68.0
284.06757	12.2
295.05884	8.9
297.07571	12.1
309.07605	4.5
311.05740	2.8
313.07022	100.0
323.09137	24.7
325.07019	3.2
337.07040	21.8
343.08163	10.4
351.08463	8.4
355.07886	2.3
367.08203	11.8
379.08032	12.6
397.08997	15.8
415.10132	21.0
417.16162	1.9
433.11285	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1477
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
62.50195	0.8
67.77581	0.9
79.05480	1.6
81.03397	2.0
85.02861	3.2
86.14622	0.9
95.04920	1.3
97.06490	0.9
101.15826	1.0
105.06971	1.1
107.04933	16.8
109.02903	1.7
110.03616	0.9
111.89674	0.9
121.02848	4.4
123.04423	3.5
124.05156	2.0
125.05926	1.0
127.03900	4.7
131.04758	0.8
133.06473	5.1
145.04872	1.0
153.05450	1.2
155.07016	3.5
158.89667	1.1
160.76741	0.9
161.05920	11.0
167.03683	1.0
167.06978	19.1
171.06499	2.1
181.04910	100.0
183.06592	1.7
189.05426	1.4
189.16168	0.9
193.08560	14.3
206.05698	1.0
221.08018	27.6
249.07596	5.1
283.05899	3.7
295.12070	1.0
296.77307	0.9
313.06909	1.6
403.13773	58.0
433.15088	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	433.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28632	0.9
54.51252	1.0
55.01864	2.3
60.13901	1.0
65.03937	1.1
70.20771	1.0
71.01366	1.6
79.05494	1.5
85.02878	2.0
91.05473	35.4
93.07052	1.4
95.04955	5.2
103.05443	1.3
105.03397	5.2
105.07027	1.6
107.04893	3.1
109.06509	6.4
111.04431	1.6
118.04153	1.6
119.04926	32.7
120.05672	1.3
121.06489	4.1
123.04384	8.6
125.06042	1.2
127.03905	1.8
131.04901	1.5
133.02827	6.4
133.06473	14.3
135.08006	1.1
136.05167	10.1
137.05974	21.0
140.04736	1.5
146.03622	2.1
147.04384	12.6
148.05167	4.6
149.05933	1.8
151.03885	2.6
151.07533	29.2
153.05444	16.0
154.06239	5.0
155.07039	6.3
161.05966	5.1
163.03857	1.4
164.04700	9.8
164.05864	1.2
165.05432	40.1
165.06754	1.9
166.06189	13.9
167.07014	5.3
171.06534	2.2
175.03897	1.1
176.04715	1.9
177.05426	13.5
179.06998	27.1
179.13875	1.1
180.07788	40.4
181.04938	78.4
182.05736	1.7
183.06461	1.8
193.04962	8.6
197.08028	1.7
203.07115	1.6
207.06508	100.0
208.07294	79.9
209.08060	6.2
218.35165	1.4
225.07533	47.9
226.08333	42.4
233.91716	1.2
235.09592	4.2
238.09381	1.2
383.01718	1.2
415.13678	4.5
433.15063	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	434.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63888	1.2
51.56553	1.2
54.01243	1.2
57.03431	2.2
61.02913	2.7
69.02415	1.5
69.03405	7.0
71.16157	1.4
72.08091	2.0
74.47591	1.6
74.63818	1.4
81.03423	1.6
84.04485	1.9
85.02893	45.8
86.09705	2.1
91.03940	3.1
91.42389	1.5
97.02878	10.8
99.04414	2.6
103.03902	2.1
109.02837	6.2
110.06026	100.0
116.90986	1.5
120.08083	3.6
122.05996	3.5
123.63516	1.5
127.03905	10.0
134.05994	8.9
144.07323	1.5
145.04924	13.0
152.07047	8.0
176.07028	6.7
176.88499	1.6
196.23509	1.6
254.10210	3.7
272.11230	16.3
356.74762	1.7
416.15445	6.3
423.02594	1.6
434.16333	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	435.1285
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
58.39071	0.4
59.99797	0.3
81.07009	0.5
89.62505	0.3
159.11591	0.4
178.02670	0.5
181.04939	1.7
255.06448	0.8
256.07217	1.5
257.83401	0.5
270.05209	7.8
284.06781	7.8
286.04507	1.6
287.05463	3.1
292.10229	0.5
299.05472	5.9
301.03580	0.5
302.04150	0.7
312.06271	2.0
315.04956	26.2
316.05701	10.6
329.06412	3.1
330.07269	1.9
331.08093	100.0
373.09204	0.4
403.10345	1.7
435.12833	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	435.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.97059	0.8
60.38576	0.8
65.03945	3.4
75.04466	6.4
79.05505	1.3
79.69155	0.9
85.02885	4.5
91.05463	9.2
93.03388	20.5
93.07030	6.2
95.04940	7.0
97.06495	3.6
103.05479	2.0
105.07027	1.5
106.04163	32.3
107.04931	1.9
114.38904	1.0
119.04921	1.1
121.06488	47.5
123.04371	1.4
125.05976	19.0
131.04901	1.2
133.06520	1.5
134.03596	4.4
135.04355	1.5
137.05846	6.7
138.06737	1.0
139.07529	4.7
148.05167	1.9
149.05957	88.6
151.07510	4.3
153.05417	5.8
153.09084	25.4
163.07549	3.6
165.05496	7.0
166.06250	1.3
167.07001	6.2
171.06488	1.6
177.05435	35.4
180.07797	6.6
181.04929	23.2
181.06616	1.0
181.06938	1.4
181.08542	25.2
182.09349	1.6
187.07516	1.0
191.07007	1.4
207.06590	1.4
208.07298	6.0
209.08063	100.0
225.07506	6.1
226.08496	1.6
233.08353	1.3
435.23343	1.5
456.83380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72724	2.2
55.57663	2.9
66.23624	2.4
69.07043	2.7
79.05484	3.2
83.88834	2.8
95.08601	11.1
119.08598	5.2
122.02699	40.6
131.08580	4.8
135.08041	5.4
145.10202	5.7
147.08026	30.6
147.11678	76.2
153.00037	2.9
161.09583	6.7
163.11113	5.0
171.11716	5.7
180.32643	3.1
181.10097	3.9
189.12762	11.3
199.11232	4.6
227.17952	3.9
237.16385	18.7
254.16653	14.6
255.17392	62.6
271.20499	2.9
273.18454	66.4
279.17395	4.9
297.18451	72.7
297.21671	4.4
315.19492	100.0
436.21722	26.3
436.27573	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	437.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67097	2.0
58.69753	2.1
65.47269	2.2
68.03841	2.3
69.03419	3.0
73.41791	2.0
81.03423	4.4
85.02874	5.1
96.08147	2.4
97.02849	2.3
98.56001	2.0
105.44936	1.9
105.73626	2.2
106.02901	32.9
106.06519	20.0
108.08099	31.4
109.02859	9.1
115.94799	2.7
123.06763	2.9
124.03949	30.4
124.07568	16.8
134.05943	27.6
134.60606	2.7
136.07562	30.0
151.12656	2.6
152.07034	85.6
170.08092	22.3
268.08121	3.7
419.14429	10.8
428.41379	2.4
437.15457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1801
Annotation	Huazhongilexin
Peak:m/z	Relative Intensity
52.20566	0.4
55.01854	1.1
58.24188	0.5
62.00576	0.5
79.05466	2.9
85.46234	0.4
91.05460	3.8
93.07028	0.5
95.04938	1.9
96.29432	0.4
103.05444	2.6
104.81992	0.5
105.03359	0.7
105.07019	18.5
107.04916	1.1
109.06483	3.1
115.05373	0.8
118.04140	3.8
119.04930	3.7
121.06475	0.6
122.02703	0.5
123.04441	1.9
123.08052	4.1
124.05196	0.7
125.05994	0.7
131.04875	0.6
133.06473	23.3
134.07286	0.5
135.04385	0.7
135.08055	4.6
137.05963	9.1
147.04417	0.6
147.08014	2.0
148.05125	0.9
148.08356	1.0
149.05972	1.9
149.09590	0.6
150.06744	12.5
151.07530	8.3
153.05403	2.2
155.07021	0.5
161.05957	4.4
163.07466	0.7
165.05475	4.5
165.09090	24.6
166.06244	0.6
167.07004	14.2
168.07770	2.5
175.07600	0.7
177.05382	1.9
178.06155	2.4
179.07031	4.3
180.07784	3.9
181.04933	14.2
181.08493	0.7
182.74976	0.4
183.06569	0.6
193.08572	100.0
205.08589	4.5
207.06548	0.9
208.07297	9.0
211.09622	98.5
212.10388	1.0
217.68364	0.5
225.07553	6.5
226.08304	2.2
315.19754	0.6
316.19818	2.0
387.14401	1.9
412.88303	0.5
437.22403	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	437.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30449	1.9
52.85930	1.5
55.05526	16.1
57.03439	14.7
57.07074	12.7
60.96895	2.0
67.05508	21.5
69.07071	44.0
71.08637	4.4
72.35106	2.2
79.05493	5.6
81.07056	33.5
83.08620	31.8
83.89706	2.1
85.06563	2.4
85.10179	2.4
93.07045	20.2
95.08611	28.3
97.06557	2.9
97.10177	22.7
107.08607	13.6
109.10149	10.3
111.08028	2.6
111.11688	2.6
113.00016	77.7
121.10192	15.6
123.11729	3.7
125.09623	3.6
133.10179	3.5
135.11679	14.3
149.13312	3.7
155.01044	5.5
156.89336	2.0
169.02609	65.4
184.21964	2.6
187.03754	2.7
251.23575	2.3
270.83670	3.0
283.26242	9.5
325.27365	100.0
337.14807	2.8
339.28998	4.5
419.25729	19.1
419.32446	2.4
427.74603	2.9
437.19501	17.7
437.34402	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	438.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22671	0.6
50.57898	0.6
54.52476	0.7
55.05491	1.5
57.81397	0.6
65.16910	0.8
67.05511	0.9
67.89861	0.7
69.07063	0.8
73.28214	0.6
81.03382	1.2
81.07033	1.7
83.04964	5.6
83.08589	0.8
84.89517	0.7
91.05457	1.7
93.07022	4.2
95.08562	6.4
105.07029	5.1
107.08549	7.1
109.06503	4.3
109.10134	1.4
111.08025	0.8
119.08540	6.8
121.10117	4.7
121.93298	0.8
122.02708	10.7
123.08039	1.6
123.11701	1.1
131.08582	6.8
133.06479	0.7
133.10085	11.2
135.08005	11.1
135.11667	1.4
137.09563	0.9
139.11137	0.9
143.08504	1.2
145.10092	3.2
147.08018	30.4
147.09099	1.5
147.11624	6.7
149.09610	4.1
149.13289	1.2
151.11186	1.3
155.08470	1.1
157.10101	3.8
159.07903	0.7
159.11626	9.7
161.09608	4.8
163.11159	5.5
169.10100	3.5
171.11613	4.8
173.09592	6.1
173.13210	29.8
175.11220	2.8
181.10115	0.8
183.11659	6.8
185.13220	4.5
187.11128	4.5
189.12682	0.9
191.14317	1.9
195.11671	0.9
197.09592	0.8
197.13251	3.8
199.11084	1.2
201.12639	6.5
208.12384	0.8
209.13310	1.0
211.11212	0.9
211.14781	3.2
213.12743	1.5
213.16434	1.0
215.14183	8.0
221.13173	1.5
223.14774	3.1
225.12683	1.2
225.16237	1.2
229.15770	1.7
235.14694	1.0
237.16266	1.7
239.14284	3.2
239.17796	6.2
241.15881	1.7
248.15614	2.7
253.15894	1.4
253.19424	10.3
255.17296	1.0
257.18988	7.2
263.17868	6.4
271.20511	3.8
281.18930	37.4
299.19980	100.0
317.21045	48.2
320.09991	0.8
358.36304	0.9
420.21844	6.3
438.22958	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	438.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58298	2.0
51.94459	2.2
55.05494	4.7
57.03429	10.5
57.07059	11.5
57.46220	2.2
62.06086	46.6
67.05492	15.3
68.24335	2.0
68.77043	2.1
69.07065	18.7
71.08623	4.6
73.09824	2.2
79.05511	5.6
81.07050	18.7
83.08599	18.5
84.32436	2.6
85.10179	3.6
93.07018	4.8
95.08580	16.2
97.06501	19.8
97.10137	12.3
98.98444	15.2
107.08584	13.2
109.10145	11.4
111.11764	2.8
112.99993	9.8
113.86427	2.3
121.10121	25.0
123.11694	10.5
129.05469	15.3
135.11664	14.3
137.13243	3.2
140.03362	3.0
148.15480	2.5
149.13156	3.0
155.00980	8.4
169.02533	4.8
198.05162	3.2
205.19537	10.4
266.24670	24.5
285.24225	15.7
297.24167	100.0
377.21149	2.7
379.22070	3.8
420.24969	40.5
438.25992	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	439.3051
Annotation	Malonganenone D
Peak:m/z	Relative Intensity
53.07548	1.4
55.01841	1.8
55.05496	7.1
56.19263	1.4
57.07067	16.3
59.29031	1.5
67.05473	9.7
69.07041	10.3
70.59303	1.4
71.08605	1.7
72.93522	1.4
75.05736	1.6
79.05470	7.7
81.07031	18.9
83.04949	4.2
83.08592	3.1
84.55362	1.6
85.06535	12.2
93.07014	14.4
95.08579	16.5
97.06501	7.8
105.06979	3.8
107.08579	15.5
109.06484	7.1
109.10123	11.3
111.04435	3.6
119.08552	6.9
121.10101	7.2
123.08012	4.3
123.11699	2.9
125.05976	2.6
128.01901	1.7
131.08516	1.7
133.10130	8.8
135.08002	10.5
135.11653	4.2
135.35350	1.8
137.05937	25.2
145.10110	3.8
147.11674	4.1
149.13234	2.5
151.07494	2.8
153.12750	2.9
159.11638	2.8
161.09645	2.0
163.11067	2.8
163.14799	2.1
165.12697	8.4
171.11659	2.3
175.11255	1.9
177.12721	8.3
179.14290	2.6
189.12607	2.0
193.12234	3.4
207.13745	8.1
233.19029	2.5
235.56201	1.9
263.20044	3.1
291.19525	2.6
319.26288	11.7
347.25739	70.8
365.26910	8.3
411.30838	6.2
421.29321	55.9
439.30466	100.0
439.36343	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	439.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90416	0.8
55.05498	1.4
57.07074	9.7
67.05492	1.0
69.07053	5.3
71.08620	1.3
77.15149	0.9
81.07045	8.0
81.91216	1.1
83.04983	2.2
83.08614	1.3
85.06521	5.8
93.07040	3.8
95.08584	6.9
105.07011	2.1
107.08569	4.5
109.06487	10.1
109.10143	6.1
112.07586	4.9
113.00042	1.7
119.08537	2.4
121.10112	5.3
122.45686	1.1
127.11166	1.1
133.03261	1.0
133.10094	4.1
135.11691	4.6
145.10060	2.1
147.11659	2.0
149.13248	1.8
157.10124	1.9
159.10130	1.3
159.11650	1.8
169.02589	1.1
169.61702	1.1
177.12830	1.1
187.14677	1.1
191.10687	1.6
192.11115	1.4
213.16333	1.1
243.99193	1.0
249.22313	1.0
263.20020	100.0
309.61676	1.1
365.26514	1.2
421.29468	19.6
421.34662	1.8
422.35580	1.3
439.30472	19.4
439.35690	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	440.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81538	0.6
53.03935	1.6
55.05508	10.4
57.03426	1.0
69.03418	8.9
71.04994	3.0
72.62796	0.8
73.06541	31.9
81.03407	22.5
81.99059	0.9
85.02895	10.7
90.28405	0.8
97.02861	13.6
99.04424	8.0
101.06001	40.1
103.03924	0.9
109.02881	13.0
124.03982	1.4
127.03882	27.4
132.04416	5.0
153.09088	1.2
160.03851	1.3
162.05455	44.5
164.03381	14.3
181.08571	5.1
187.05978	0.9
188.03392	100.0
199.09569	1.5
199.34814	0.9
206.04510	5.2
207.44865	0.9
259.11697	19.2
260.09134	1.1
277.12787	1.1
278.10071	0.9
332.07648	3.7
350.08466	1.8
387.27536	0.8
404.13260	1.5
422.14316	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	440.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25996	4.0
58.47673	4.4
60.13697	4.4
65.52512	3.7
69.56614	4.6
73.61718	4.0
81.07046	7.5
95.08606	8.9
107.08555	4.6
119.08572	10.6
119.38206	4.5
122.12818	5.7
133.10103	8.1
138.06078	5.0
142.46928	4.7
147.08038	9.0
147.11667	9.5
157.10123	11.3
161.09651	5.6
177.05481	7.2
184.07344	7.7
185.13225	5.8
199.14850	7.1
212.10048	5.6
213.12782	9.8
227.14301	6.4
231.17415	21.1
255.17328	33.4
273.18430	33.4
301.17929	82.3
317.20953	5.0
319.18948	100.0
319.22241	8.0
354.62695	4.8
440.23734	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83380	0.4
55.05503	1.9
57.03439	0.5
57.07069	0.7
67.05480	1.6
69.03407	0.7
69.07056	3.0
74.09692	0.7
78.00277	0.4
79.05476	2.3
81.03413	5.6
81.07053	10.1
83.08599	2.1
85.06520	0.9
91.05472	2.5
93.07033	7.1
95.04955	1.0
95.08592	11.1
97.06490	0.6
97.10172	3.4
98.99501	0.4
105.07018	12.1
107.04944	0.8
107.08585	11.1
109.06528	5.9
109.10153	5.2
111.08046	2.5
117.07007	0.5
119.08565	21.8
121.06461	0.9
121.10128	22.5
122.02688	2.1
123.08081	1.0
123.11689	34.8
129.06989	0.5
131.08563	5.4
132.05678	0.7
133.06590	0.4
133.10110	28.3
135.08044	23.3
135.10713	0.8
135.11670	14.7
137.09579	3.6
137.13248	0.5
143.08548	2.2
145.06442	0.6
145.10095	6.9
147.08026	42.4
147.11661	10.1
149.09578	2.4
149.13242	10.9
151.11116	0.6
157.10065	3.6
159.08014	4.6
159.11646	6.2
161.09595	6.2
161.13249	5.4
163.11125	3.6
165.12672	0.5
167.06937	1.5
169.10115	2.2
171.11652	5.9
173.09621	8.8
173.13199	9.3
175.11255	3.7
175.14801	34.1
177.01080	0.4
177.12680	0.8
181.10107	0.8
183.11664	4.0
185.09634	2.3
185.13251	5.4
187.11153	9.9
187.14726	4.2
189.12721	8.0
195.11681	3.9
197.13313	2.2
198.10144	0.5
199.11160	5.2
199.14790	3.5
201.12686	2.9
201.16362	2.3
203.14337	1.6
209.13167	3.7
210.14107	0.6
211.14781	2.8
213.12741	10.4
213.16199	1.7
215.88380	0.4
217.15865	2.0
219.13756	0.5
223.14801	6.5
225.16330	3.6
227.14296	3.8
227.17921	2.3
229.15848	6.3
237.16301	0.9
239.17891	2.3
240.15071	0.5
240.18666	0.7
241.15849	2.7
241.19402	1.7
241.81786	0.5
245.18959	1.0
250.17192	0.6
255.21036	12.2
257.18756	0.5
259.20538	0.5
265.19455	17.2
270.31415	0.4
283.20523	79.3
301.21585	100.0
319.22626	73.1
330.97760	0.5
404.22443	1.9
405.19046	0.7
422.23569	9.9
440.24576	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	440.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
57.06798	1.7
57.07067	23.7
61.33794	1.1
62.06084	23.5
63.03949	1.1
67.05493	3.0
69.07055	6.1
71.08627	16.9
81.07050	8.0
83.08595	3.2
85.10173	12.5
95.08588	11.6
98.98433	5.2
99.13185	1.5
100.47205	1.2
109.10143	6.6
123.11697	1.6
140.03435	8.7
145.28386	1.5
155.01039	7.8
171.02928	1.7
216.06352	2.3
231.77814	1.3
268.26300	10.7
299.25769	100.0
310.00940	1.7
352.82651	1.7
379.22354	8.2
422.26520	22.4
440.27469	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	440.2761
Annotation	1-Dodecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.37565	0.7
55.54325	0.8
56.46902	0.7
57.07042	3.8
60.08151	9.2
60.50942	0.7
71.07353	1.6
71.08610	0.8
86.09171	1.2
86.09689	32.7
95.08548	1.3
104.10720	91.1
124.99978	13.1
174.36177	0.8
184.07292	100.0
194.76373	0.8
229.70908	0.8
246.38074	0.9
257.20929	6.0
422.26569	4.0
440.27576	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	440.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
57.03419	5.2
57.07065	26.6
58.06591	100.0
64.27666	0.7
67.05489	4.7
68.14928	0.7
69.07053	7.5
71.08619	18.4
76.07626	61.7
80.10004	0.7
81.07041	9.4
83.08591	5.1
85.10159	11.8
93.56737	0.7
95.08586	15.2
97.10153	4.1
109.10134	7.6
111.11683	1.3
112.99996	5.4
115.54634	0.9
115.82236	0.8
117.67223	0.7
120.22583	0.9
121.10123	0.8
123.11668	4.2
130.84145	0.7
137.13278	1.0
155.00989	1.0
156.04230	1.6
169.02614	6.8
184.07414	1.0
192.22495	0.8
211.20497	3.5
230.07831	1.2
261.30276	0.9
268.26349	6.2
285.24173	84.1
299.22015	1.0
379.22421	5.2
422.26617	17.2
440.22888	1.4
440.27835	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	441.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42387	2.6
55.05518	3.7
57.59260	2.7
61.01127	5.0
67.05470	2.6
68.33881	2.8
69.07047	7.1
79.05434	3.7
80.79604	3.0
81.07036	14.8
85.06538	3.9
89.00579	13.5
91.05478	3.0
93.07028	14.5
95.08576	16.0
97.10155	6.0
103.02154	12.1
105.07011	17.4
106.23189	3.1
107.08595	21.6
109.06490	5.6
109.10147	11.6
111.08083	3.2
113.32861	2.7
117.07015	4.2
119.08515	21.7
121.10120	20.3
123.08041	4.2
123.11648	21.2
131.08519	14.8
133.10094	59.2
135.08041	27.3
135.11679	24.2
137.09641	4.6
145.10092	12.5
147.08015	25.5
147.11673	17.8
149.02679	13.5
149.09598	3.9
149.13216	13.4
157.10086	12.1
158.69894	2.7
159.11678	15.2
161.09570	4.9
161.13223	14.9
163.11172	4.1
165.09052	3.7
169.10175	4.7
171.11635	22.9
173.09576	15.3
173.13217	15.2
175.14790	23.1
183.11732	6.2
185.13239	12.8
187.11145	13.8
195.11705	7.4
197.13313	4.8
199.14729	4.3
201.12730	18.4
209.13205	6.8
211.14671	6.5
213.12686	6.1
213.16473	4.4
223.14775	16.3
237.16519	5.0
239.17757	5.1
250.17250	3.9
255.20889	5.0
265.19437	41.3
273.39935	3.5
283.20560	52.7
301.21552	14.2
363.53015	3.7
377.21371	3.9
387.19827	6.5
405.20847	100.0
423.21872	59.2
441.23276	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	441.335
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05503	14.7
57.07063	13.5
59.06103	3.3
63.32549	1.9
67.05478	11.3
69.07056	26.2
71.08596	3.5
74.37745	2.0
79.05479	3.1
79.55525	2.0
81.07048	33.1
81.78416	1.9
83.08591	18.1
85.07657	2.3
85.10125	2.6
86.09666	4.5
89.16840	2.1
91.05460	3.3
93.07003	18.8
95.08577	31.9
96.08929	2.0
97.06503	3.7
97.10143	11.4
105.07015	12.9
105.56849	2.0
107.08590	19.8
109.06486	3.0
109.07632	3.5
109.10126	32.7
111.11681	3.3
119.08525	14.0
121.06439	3.2
121.10115	24.5
123.08019	2.3
123.11674	11.7
131.08522	8.6
133.10127	12.9
135.08026	3.4
135.11652	12.4
135.99956	2.3
136.59508	2.4
137.09572	3.6
137.13232	2.7
145.10074	4.5
147.11667	10.7
149.06013	2.8
149.09621	4.0
149.13228	10.0
157.10129	2.8
159.11652	10.8
161.13228	4.9
165.09117	11.1
171.11624	4.8
173.13174	4.2
183.11629	3.7
185.13232	3.1
187.14876	4.6
197.13213	5.2
199.14799	3.3
203.14313	2.7
209.13229	2.6
227.17969	3.0
228.13174	2.0
239.17995	3.5
259.16864	10.0
273.14752	10.3
343.47046	2.5
343.65308	2.1
413.33951	3.8
423.32300	13.1
441.33047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3358
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
51.66574	0.9
55.05506	10.3
56.81369	1.1
57.07063	1.5
62.70778	1.1
67.05486	2.3
69.07055	17.8
71.04970	1.4
71.08612	5.6
79.05498	1.5
81.07041	16.8
83.04951	1.3
83.08612	26.5
85.10200	1.1
92.58609	1.1
93.07006	7.0
95.08591	11.2
97.06477	1.7
97.10147	6.4
105.07000	2.4
107.08594	8.5
109.10143	11.1
114.16319	1.0
119.08538	2.6
121.06464	1.8
121.10110	10.1
123.08129	1.1
123.11677	2.4
131.08546	1.7
133.10081	7.8
135.11694	6.0
145.10085	4.9
147.11667	7.4
149.13228	5.0
154.41013	1.4
157.01308	1.3
159.11630	2.0
161.13251	1.7
167.06982	1.6
169.10039	1.3
171.11729	1.4
173.09567	2.7
173.13219	1.7
175.11115	1.5
175.14746	5.8
183.11653	2.7
185.13190	2.4
187.11060	1.2
187.14798	4.6
189.12747	1.6
199.11105	1.2
199.14828	1.6
201.12759	2.2
203.14348	1.2
207.02966	1.2
211.14792	4.8
213.16376	2.0
215.18089	1.5
229.15938	1.6
239.14540	1.2
265.15805	4.4
267.17392	1.3
283.16992	2.2
285.18561	1.6
301.17862	8.8
305.47870	1.3
423.32364	2.2
441.33514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3359
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05510	11.1
55.10299	1.0
57.07058	5.6
62.10666	1.0
67.05487	7.0
67.60687	1.1
69.07065	18.1
71.04967	1.9
71.08614	1.5
79.05467	2.0
81.07050	21.8
83.08614	15.6
84.94730	1.0
93.07017	8.8
95.08597	19.2
97.06499	1.3
97.10165	11.1
105.07017	6.6
107.08576	24.6
108.66065	1.2
109.06524	1.1
109.10152	15.5
111.08078	1.3
119.08527	8.1
121.06472	4.8
121.10127	16.6
123.08055	1.2
123.11670	11.9
125.09557	1.3
131.08531	4.9
133.06471	1.9
133.10100	6.3
135.08046	6.1
135.11682	8.8
137.13266	4.8
143.08537	2.2
145.06410	1.2
145.10088	10.3
147.07997	1.8
147.11641	2.4
149.05963	1.5
149.09593	4.2
149.13232	2.0
157.10104	2.7
159.08011	4.7
159.11668	1.7
161.09602	1.5
161.13141	4.3
163.14809	4.4
171.11627	2.7
173.09586	10.2
173.13202	4.0
175.11150	7.3
177.16377	1.6
181.10069	1.3
183.11678	2.3
185.09654	1.5
185.13225	1.8
187.11227	2.4
187.14798	2.2
189.12767	2.0
191.10657	4.4
195.11716	1.4
197.13239	2.2
199.11113	1.3
199.14795	2.7
201.12689	7.1
209.13210	2.4
211.14816	1.2
213.12720	2.4
213.16411	2.4
215.14227	4.7
227.14343	1.9
229.15807	1.7
233.15321	1.4
245.15314	4.4
247.16898	2.3
253.19542	1.8
259.16891	2.1
261.14963	1.6
269.18887	4.1
273.18381	1.3
275.16333	1.3
283.41409	1.2
287.16302	1.3
287.19916	2.1
299.19968	4.6
301.21530	1.4
313.21625	1.8
315.19302	1.7
315.23145	1.7
327.23154	1.9
331.83704	1.1
339.23114	2.2
345.24179	1.6
353.24487	1.6
371.25702	1.2
405.31357	2.3
408.91611	1.4
423.32520	18.6
441.33545	100.0
465.78763	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	441.3355
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
54.26589	1.4
55.05492	3.5
57.07037	7.9
67.05484	3.7
69.07030	8.5
71.08609	3.1
74.42712	1.5
79.05429	2.0
80.49703	1.6
81.07032	12.9
83.08578	10.7
90.44502	1.7
91.05444	1.8
93.07040	13.9
95.08588	25.9
97.10110	2.6
105.06992	3.1
107.08578	20.3
109.10124	12.4
119.08534	4.2
121.06458	4.6
121.10075	11.4
123.11675	8.2
131.08521	2.2
133.10097	4.3
135.07913	2.1
135.11665	7.1
145.10091	3.3
147.07953	2.8
147.11639	8.6
149.09514	2.8
149.13254	3.6
151.14772	3.5
157.10027	2.6
159.11644	4.5
161.09485	2.1
161.13103	2.3
171.11589	2.4
173.09564	2.0
173.13222	1.8
175.07463	12.0
182.60823	2.0
256.64273	1.9
289.17923	7.5
301.21420	13.4
308.29428	2.1
315.19308	11.2
441.33377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3149
Annotation	Paxisterol
Peak:m/z	Relative Intensity
53.39909	4.2
56.04024	3.2
57.07056	5.5
67.05494	5.0
69.03421	6.5
69.07060	6.3
69.18334	3.6
81.07066	26.7
83.08607	15.5
92.16886	4.3
93.07056	19.3
95.08608	18.0
95.91707	4.3
97.10169	8.0
105.07046	8.8
107.08594	22.2
109.10130	18.7
111.08074	3.7
119.08583	5.5
121.10121	20.3
123.08053	4.8
133.10098	9.3
135.08049	5.8
135.11688	5.3
137.13303	6.2
145.10098	8.4
147.11717	4.0
151.07550	5.7
163.11143	4.0
178.58893	4.1
201.12677	5.9
223.15038	4.2
261.14902	5.9
263.16574	26.9
313.21896	3.9
329.19781	5.3
425.30389	28.7
434.69696	4.2
443.31635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3153
Annotation	Paxisterol
Peak:m/z	Relative Intensity
55.05510	6.8
57.07071	19.7
67.05488	6.0
69.07066	100.0
71.08623	5.9
71.35023	5.0
79.05512	4.2
79.14293	3.6
81.07040	42.0
83.08607	45.2
92.16790	3.9
93.07029	23.8
95.08588	39.9
97.10190	5.7
105.06987	8.3
107.08609	21.6
109.10138	32.2
111.11692	5.1
119.08556	8.8
121.10116	20.4
123.11697	9.2
133.10110	9.7
135.11685	20.7
137.25287	4.3
145.10110	5.0
146.10289	4.0
147.11635	6.7
149.13229	8.8
149.58769	4.0
151.07544	3.9
153.46840	4.4
156.84625	4.3
159.11690	5.9
161.13271	9.4
175.07506	6.4
177.16460	4.3
187.07515	10.0
265.04852	4.6
281.15295	9.9
283.16943	16.2
318.45001	4.3
349.07544	4.9
407.29224	30.9
425.30563	19.9
443.32193	26.0
443.39487	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	443.3516
Annotation	Topsentisterol B1
Peak:m/z	Relative Intensity
53.48032	0.4
55.05502	2.7
55.42611	0.3
57.07079	5.0
58.03817	0.4
59.66346	0.4
67.05516	0.9
69.07063	8.3
71.08624	7.6
76.01334	0.4
81.07053	4.8
83.08620	6.7
85.10165	4.0
93.07052	4.9
95.08602	5.6
97.06522	0.7
97.10163	6.8
99.08083	0.7
105.07025	1.2
107.08589	4.2
109.06504	0.7
109.10152	4.0
111.08099	0.7
111.11707	3.9
119.08582	2.4
121.02904	0.6
121.06522	4.3
121.10123	2.9
123.11705	1.2
131.08572	1.9
133.10139	3.0
135.08047	2.8
135.11659	1.9
137.09627	0.6
139.07581	0.5
143.08540	0.8
145.10107	3.2
147.11697	0.9
149.09616	1.1
151.14755	0.5
153.09100	0.8
157.10124	1.9
159.08037	0.9
159.11707	2.3
161.09602	0.6
161.13295	0.5
163.14793	0.6
171.11678	1.0
173.09613	3.0
173.13271	2.2
175.11104	1.0
177.12837	0.5
183.11708	2.8
185.13255	0.9
187.11247	0.7
187.14792	1.9
191.10751	0.6
197.13271	1.1
199.14801	0.6
201.12744	3.9
201.16440	1.1
211.14760	0.9
221.15366	1.9
225.16478	0.8
227.18027	0.7
229.12405	0.7
229.15881	2.4
239.14053	0.5
239.17972	2.7
241.15718	0.6
247.13205	3.6
247.16978	2.4
249.18607	0.7
253.15956	0.5
257.19028	0.8
261.18460	7.6
263.16443	0.7
263.23679	0.7
267.17502	2.0
271.16895	1.0
273.18378	0.7
275.16394	16.4
275.19565	1.0
285.18457	2.7
285.21640	0.6
289.25241	0.5
299.23767	0.8
317.24747	30.7
333.27881	0.5
347.53452	0.6
365.31995	0.6
401.34268	2.8
407.33069	2.4
425.33713	4.6
443.35190	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	443.352
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
53.89764	2.6
55.05502	10.6
57.07082	22.9
57.21117	2.1
58.27601	2.1
59.47935	2.3
62.57403	2.3
63.66744	2.6
67.05494	6.3
69.07065	23.4
71.08634	18.9
79.05518	3.2
81.07059	19.7
83.08611	11.6
85.10174	11.5
91.05477	5.6
93.07036	18.7
94.56432	2.3
95.08609	22.9
97.06507	3.0
97.10159	4.0
105.07017	18.6
107.08579	5.4
109.10155	15.3
119.08569	13.0
121.06486	12.3
121.10139	5.6
123.11694	10.2
131.08560	6.3
133.06413	4.1
133.10129	11.2
135.08034	3.3
145.10138	17.8
147.08118	4.6
147.11671	11.8
149.05959	4.8
149.09619	4.2
149.13281	3.8
157.10109	5.7
159.08064	16.4
159.11678	6.3
163.07570	3.2
171.11642	5.7
173.09618	23.1
173.13350	2.8
175.11137	4.6
183.11717	4.7
187.11191	5.8
187.14697	4.8
191.10721	6.3
199.14809	4.4
201.12764	28.4
207.13860	4.2
211.14941	3.5
215.14328	6.8
239.17975	13.0
243.13835	5.4
243.53253	2.7
247.13167	6.1
257.19025	3.8
261.14841	15.2
271.16980	3.3
285.18582	16.3
287.20129	3.1
291.17416	2.8
303.19608	27.2
313.21616	3.8
313.25174	3.2
318.30414	3.3
425.34360	37.9
443.35275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	4beta-methyl-zymosterol-4alpha-carboxylic acid
Peak:m/z	Relative Intensity
54.03490	9.2
55.05503	18.8
57.07069	52.6
58.33706	10.4
67.05477	12.3
69.07050	55.2
71.08617	68.7
76.28458	13.3
80.98550	13.4
81.07027	95.4
83.08607	22.5
85.10186	22.7
93.07039	54.2
95.08583	68.2
97.10180	18.2
105.06984	22.1
107.08570	47.0
109.06489	15.2
109.10139	26.5
111.11684	13.5
121.10129	28.0
123.11644	15.3
130.04570	13.1
131.08551	17.6
133.10086	26.2
135.11697	20.4
139.63252	12.9
143.08530	20.2
145.10086	25.7
147.11632	25.0
149.13229	14.1
151.71500	11.9
154.36101	10.6
155.08614	14.3
157.10117	29.1
159.11647	27.5
161.13216	19.7
173.09569	14.2
174.57263	12.4
183.11653	46.1
185.13347	15.8
195.09831	12.0
197.13272	22.4
199.14781	17.5
211.14743	18.8
213.16338	14.2
225.16483	15.5
239.17952	21.2
243.26176	11.2
245.46718	13.7
366.81302	13.3
379.33572	18.3
397.34610	23.2
423.29623	11.8
425.33841	98.8
443.34470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.351
Annotation	Topsentisterol A1
Peak:m/z	Relative Intensity
50.67845	1.8
51.85199	1.6
53.00319	2.2
55.05507	16.3
55.82858	2.0
57.07073	17.4
59.06085	2.0
63.69564	1.7
69.07064	26.6
79.05466	3.2
81.07042	15.2
82.83153	2.1
83.08115	3.9
83.08604	72.2
93.07027	3.1
95.08572	9.1
97.06525	2.5
97.10136	8.5
107.08582	15.9
109.06468	2.6
109.10137	8.9
119.08564	3.3
121.10067	2.5
129.43764	2.1
131.08450	2.2
133.10132	4.5
135.11679	10.9
145.10143	3.4
156.51253	2.2
161.09697	2.7
173.09554	4.4
175.11218	5.4
191.10680	4.4
202.69402	2.1
241.19438	3.2
251.17871	3.0
269.18869	11.2
287.19998	100.0
338.08151	2.6
341.24622	4.3
425.34183	17.6
443.35062	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	445.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
55.05502	11.5
57.03424	15.5
57.07066	5.7
61.02917	5.5
67.05495	31.0
69.03064	4.7
69.03423	100.0
69.07053	18.5
71.04993	10.3
71.08615	3.4
75.73641	2.4
79.05480	10.1
81.03407	4.3
81.07058	39.4
83.04982	32.2
83.08600	14.3
85.02903	22.8
87.04462	11.9
92.42532	2.9
93.07063	6.0
95.08598	37.0
97.06535	3.3
97.10151	5.3
99.04456	25.7
103.03947	4.2
105.06983	3.6
107.08586	5.5
109.10155	25.0
111.04433	25.4
119.08588	4.4
121.10134	4.9
123.11716	5.2
129.05461	43.3
133.10115	11.7
135.11607	2.5
137.13229	3.4
147.06534	24.6
147.11716	3.5
165.07590	15.1
229.67104	2.9
231.72614	2.6
245.22598	11.8
263.23718	18.5
401.97583	2.9
409.29422	69.1
424.37518	3.0
427.30667	14.7
445.37381	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	445.3666
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
55.05493	11.9
57.07050	40.4
57.23833	5.1
59.41854	7.1
69.07043	41.7
71.07533	6.4
71.08597	27.7
79.05486	6.0
81.07028	10.0
83.04957	10.2
83.08598	45.1
84.22596	6.8
92.16843	9.1
95.08585	10.3
97.10149	14.7
99.05348	6.3
109.10124	13.4
121.06489	7.1
135.08043	14.6
139.07535	15.1
149.05855	7.3
165.09056	59.3
167.06961	11.7
175.11191	7.4
185.13255	8.8
189.12660	14.6
202.09830	39.2
203.10770	28.1
203.14255	7.8
205.12184	9.9
223.96942	7.7
231.13799	9.1
296.80090	7.1
427.35641	49.7
445.36783	100.0
448.70935	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	445.3669
Annotation	globosterol
Peak:m/z	Relative Intensity
51.93118	3.1
55.05502	21.2
56.07811	3.4
57.07071	37.4
58.78371	3.3
67.05482	3.7
69.07060	51.7
71.08619	28.2
81.07034	28.0
82.33102	4.0
83.04964	22.6
83.08588	38.0
85.10159	14.2
91.05483	3.5
93.07018	8.4
95.08598	35.1
97.10124	18.4
105.07010	4.6
107.08578	14.0
109.10137	7.8
111.08091	4.0
111.11691	5.1
121.06453	7.8
121.10144	8.8
123.08029	5.9
124.39432	3.4
133.10088	4.9
135.08026	20.3
136.62550	3.6
137.05977	13.9
137.09607	3.4
139.07547	44.5
147.11679	5.3
149.05960	6.8
149.09615	16.6
151.07513	7.7
153.09035	4.8
157.10107	4.4
161.09483	4.5
163.07512	22.2
165.09073	50.0
167.07031	19.2
171.11604	22.7
173.13011	3.8
175.11142	8.9
177.09100	7.4
179.10637	4.6
181.08675	5.5
185.13219	13.9
189.09096	6.0
189.12706	8.6
191.10692	4.8
198.10378	36.8
202.09880	15.3
203.10669	14.8
205.12347	6.2
213.12680	40.9
219.13837	3.7
231.13812	13.7
281.19476	3.4
342.99777	4.2
371.20123	4.0
385.34726	4.8
399.35965	5.1
427.35672	38.5
435.56421	3.5
445.36731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3672
Annotation	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
50.46701	2.4
51.31887	2.5
54.50464	3.0
55.48462	3.7
57.07062	7.5
67.05493	3.6
69.07061	17.9
71.08614	12.4
71.73692	3.3
81.07046	20.8
83.08624	4.6
84.63151	2.9
87.66287	3.6
93.07043	5.2
95.08575	23.9
97.10166	4.6
107.08584	15.1
109.10137	16.4
113.87314	3.1
116.46113	3.1
121.10145	5.0
123.11660	7.9
135.11693	6.6
137.13252	3.8
147.11665	4.8
149.13281	4.3
159.11737	3.6
161.09615	4.8
173.09618	15.8
175.11156	22.7
185.13298	4.1
185.29167	3.3
191.10637	29.3
210.76852	3.3
260.40469	3.3
269.18906	4.6
271.15463	3.5
287.20007	15.4
297.23871	3.0
309.76627	3.3
335.21597	3.4
353.35818	3.2
409.34753	13.5
427.35699	100.0
445.37112	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	446.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43904	0.5
55.10684	0.4
55.41059	0.5
58.06585	2.8
59.98161	0.6
63.14054	0.6
69.03411	3.8
70.06573	0.5
72.00451	0.6
72.08138	0.8
84.08131	0.8
85.02905	1.4
86.06053	17.7
87.04453	46.1
102.05511	0.8
104.07091	100.0
104.10725	1.2
113.64855	0.6
118.08647	1.1
128.71443	0.6
130.05008	0.6
148.05989	0.8
152.05650	11.5
165.05254	0.6
206.62573	0.6
224.29233	0.6
226.62291	0.6
275.07742	0.9
277.88864	0.6
285.06741	0.7
390.20911	0.6
446.26730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
57.03419	2.3
58.99567	3.3
67.05474	1.8
69.03410	2.7
69.07045	2.0
76.02216	100.0
79.05479	9.0
83.04967	19.1
84.04488	17.5
86.09673	2.6
93.07034	8.6
95.08569	2.6
104.12370	1.7
116.01672	22.1
130.04956	17.8
137.86328	1.7
139.11159	69.3
142.03177	9.6
144.01175	14.3
157.13127	2.0
162.02156	51.3
162.05447	3.7
170.02702	2.7
179.04816	46.4
187.05296	2.2
215.04871	4.2
222.48303	1.9
233.05803	15.4
245.05865	4.2
291.06155	2.2
298.86185	2.1
308.09058	71.2
400.61896	2.0
401.67224	1.8
465.97070	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	447.1285
Annotation	Sissotrine
Peak:m/z	Relative Intensity
50.47715	0.1
53.01324	0.1
66.51295	0.1
80.96053	0.1
84.09479	0.1
145.02831	0.2
151.03929	0.2
180.38870	0.2
202.96065	0.2
209.63544	0.1
225.05386	0.6
229.08632	1.1
242.05634	0.3
247.64249	0.2
267.06662	0.2
270.05200	4.2
285.07544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Cytisoside
Peak:m/z	Relative Intensity
52.92683	0.3
57.39323	0.3
76.02206	0.5
81.03397	0.7
85.02897	0.6
94.24406	0.3
106.20947	0.3
109.02859	0.7
111.94482	0.3
121.02814	0.4
140.11522	0.4
145.02774	1.4
162.02202	0.4
179.03357	0.5
181.04890	0.4
209.04504	0.4
257.04446	1.5
267.06451	5.8
281.08157	1.4
282.05249	0.4
283.05777	0.4
284.06793	2.0
285.07413	3.4
295.06100	0.5
297.07547	100.0
298.08368	0.6
308.06631	1.5
309.07587	3.7
309.10843	0.5
311.05545	0.6
311.09122	1.6
319.09476	2.5
321.07568	0.8
322.08359	2.6
323.09097	29.4
327.08588	46.3
335.08997	2.0
337.10648	19.2
337.14807	0.5
347.09070	3.2
349.06961	0.7
351.08600	25.8
363.08575	8.0
365.10025	2.1
375.08563	10.3
381.05008	0.7
381.09616	16.8
393.09668	10.5
411.10718	14.8
429.11765	22.5
447.12796	8.2
447.18658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60980	1.3
55.05498	7.1
57.03424	9.3
57.07086	1.6
57.72728	1.7
67.05499	27.1
68.76254	1.5
69.07061	4.2
75.70511	1.6
77.26285	1.6
79.05489	14.5
81.00253	2.0
81.07053	42.5
83.08613	3.1
91.05479	3.1
93.07016	24.0
95.08601	40.1
97.06510	2.6
99.08083	2.3
105.07016	7.4
107.08585	22.0
109.10160	23.0
111.08083	1.9
112.99989	45.9
119.08552	4.4
121.10129	20.0
123.08066	2.9
123.11703	7.0
131.08513	4.1
133.10112	9.9
135.11690	12.7
137.13193	2.0
145.10109	8.5
147.11644	3.7
149.13275	6.6
159.11729	4.0
161.13214	3.5
169.02586	16.6
173.13248	7.8
187.03690	4.2
187.14792	3.3
196.50356	2.2
243.20940	7.0
245.22659	2.2
261.22110	24.0
333.94516	2.1
335.25739	100.0
335.29721	4.3
415.14578	2.1
429.24197	3.3
463.96414	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	447.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.2
57.03430	17.0
57.07066	76.6
57.41182	6.1
61.02903	13.0
61.40810	6.8
69.03402	17.5
69.07043	10.5
71.04980	7.2
71.08613	45.9
72.83964	6.5
73.02885	13.2
81.03410	67.6
81.07046	27.8
84.08140	6.6
85.02886	41.2
85.10167	29.0
91.03946	8.7
93.53139	9.0
95.08589	64.6
97.02873	33.7
99.04432	25.9
103.03938	12.3
106.13225	7.0
109.02847	46.7
109.10160	27.1
112.99960	7.1
123.11639	10.9
127.03889	45.2
134.98190	9.8
153.25201	7.6
186.96814	14.1
204.97879	9.1
211.20589	28.9
227.58554	6.8
236.15018	27.8
237.28540	7.6
251.12904	7.8
262.58005	7.8
285.24213	60.1
319.46289	8.1
355.24725	65.9
429.28522	14.8
447.24463	100.0
447.29117	18.1
447.35211	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	448.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01855	2.3
57.03418	2.2
61.02935	0.4
67.33575	0.4
68.10792	0.4
69.03414	15.4
71.04984	0.8
73.02893	0.9
78.03436	2.4
80.05034	0.6
80.78529	0.4
81.03401	9.6
85.02401	0.9
85.02889	22.0
97.02872	7.9
99.04423	4.0
101.02365	1.1
106.02898	37.0
109.02859	13.0
115.03912	0.8
124.03925	100.0
127.03895	18.1
132.19456	0.4
142.00397	0.4
145.04926	5.5
172.74802	0.5
178.29565	0.4
178.31320	0.5
216.03998	0.5
223.01674	0.5
226.07033	0.8
232.06015	0.9
250.07034	9.4
268.08066	15.2
286.09152	81.6
309.54950	0.5
382.11444	0.6
394.11401	3.1
412.12289	1.0
430.13611	3.4
448.14490	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	448.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70887	0.2
50.79881	0.2
53.03950	0.4
55.01866	0.5
57.03428	1.2
61.02906	0.6
65.06467	0.2
66.04665	0.2
67.78871	0.2
67.89463	0.2
68.94910	0.3
69.03426	8.4
71.04963	0.5
73.02909	0.4
73.83201	0.3
75.11539	0.2
78.03405	1.1
81.03407	2.1
82.78625	0.2
82.85157	0.3
85.02387	0.5
85.02895	13.9
96.04440	0.3
97.02886	5.5
99.04444	1.8
106.02905	23.7
109.02847	3.8
115.03895	0.4
124.03934	100.0
127.03898	9.8
136.06160	5.2
145.04892	2.2
147.04428	0.6
166.33786	0.3
178.52991	0.3
195.46800	0.3
202.04942	0.3
232.05885	0.5
250.07074	1.8
268.08081	16.8
268.10266	1.0
286.09161	42.7
430.13031	0.9
448.14386	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	448.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75383	0.3
60.04523	50.9
69.03410	1.7
77.34927	0.3
81.03419	0.5
85.02889	7.1
87.04433	0.4
88.03471	0.5
88.03978	11.1
92.17358	0.5
93.00278	0.4
97.02869	3.2
99.04446	0.6
102.41295	0.3
104.07097	0.6
106.02903	1.6
106.05018	100.0
109.02868	0.6
124.03916	5.7
127.03903	6.5
145.04973	3.7
147.04398	5.5
152.18330	0.4
163.05937	0.5
236.83960	0.4
268.07910	0.7
286.09161	2.3
309.09485	0.5
420.78629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05618	0.5
63.67901	0.3
66.50080	0.3
73.05003	0.3
74.26708	0.3
81.72623	0.4
96.88538	0.4
111.05572	2.6
120.04443	2.8
132.04425	6.5
134.06013	3.2
135.68048	0.5
148.95325	0.3
151.06113	1.4
168.08739	2.7
170.94899	0.3
174.06525	0.5
202.09756	3.0
216.11203	3.3
230.09270	5.5
232.10768	0.5
242.09201	1.4
257.10425	1.6
259.11865	100.0
277.12943	2.9
283.07822	0.4
284.08337	0.3
284.11362	14.1
301.14069	4.0
302.12442	38.5
319.15021	0.8
360.16226	0.4
362.18033	0.7
402.36926	0.4
406.17197	16.6
433.96423	0.4
448.19348	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	449.1077
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
50.48894	0.3
64.77219	0.4
70.57413	0.4
85.02869	2.2
85.18348	0.4
99.36069	0.5
103.03970	0.5
109.02809	0.6
137.02313	0.8
138.43362	0.4
161.02312	0.6
165.01787	1.0
198.36763	0.5
249.60913	0.5
277.19635	0.5
277.94226	0.5
283.05981	4.9
286.04755	2.0
287.05383	5.9
297.07455	5.4
299.05450	100.0
300.06235	2.6
311.05499	9.4
311.09012	1.7
313.03455	0.6
313.06955	2.5
321.07431	1.0
323.05545	1.9
324.06287	0.5
325.03342	3.1
325.06964	23.9
329.06503	83.7
337.06982	2.5
339.04514	0.8
339.08618	23.0
341.06342	1.7
349.07016	5.9
351.04755	0.7
353.06500	29.1
365.06488	16.7
367.08157	3.1
377.06479	11.6
383.07578	15.8
395.07581	13.2
413.08633	12.1
431.09647	21.0
449.10703	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	449.1073
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.52514	0.3
59.67940	0.2
59.98770	0.3
63.96127	0.3
64.94245	0.3
74.27607	0.3
79.73928	0.3
85.02883	0.4
85.55704	0.3
131.04901	0.6
153.01758	0.3
168.86369	0.3
172.68309	0.3
187.77286	0.3
259.10083	0.3
287.05438	100.0
449.10468	4.8
449.19839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.2
57.03418	4.4
62.06072	37.7
66.71510	3.9
67.05482	36.2
69.07058	9.6
71.55563	3.9
73.33418	4.2
79.05483	7.0
81.07035	38.3
83.08612	8.4
91.05484	7.0
94.24191	4.7
95.08611	17.9
102.56133	4.1
109.10142	9.2
119.08732	4.3
123.58879	4.0
135.11638	5.4
149.94588	4.2
155.01108	7.0
169.34489	4.3
175.49501	4.4
235.20688	5.5
266.76776	4.5
278.24747	6.9
309.24133	100.0
432.25095	30.6
450.26065	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	450.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.7
55.30751	2.3
55.38958	2.4
57.03439	2.6
64.32928	2.2
67.05492	6.8
69.03402	3.7
70.89042	2.6
83.08594	17.0
89.53647	2.6
93.07067	3.7
97.10153	65.5
100.16286	2.5
107.08584	18.3
109.10126	10.2
118.82749	2.7
125.09598	100.0
129.03819	2.6
135.08047	12.5
138.05478	22.6
143.10648	4.6
153.09087	5.8
171.10143	17.2
189.11153	61.9
227.12746	82.3
245.13794	93.1
397.22012	7.0
413.12875	3.1
415.23041	57.7
467.84601	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.7
57.03435	1.0
57.06848	0.7
57.07069	12.8
63.45349	0.6
64.28065	0.8
67.05492	3.2
69.07054	3.1
70.06573	6.5
71.07362	9.8
71.08610	8.2
72.08157	0.7
74.02711	0.7
81.07036	4.5
83.04970	1.1
83.08626	1.7
84.08111	3.1
85.06502	0.9
85.10177	6.3
86.09685	100.0
89.05999	1.4
92.16662	1.3
95.08557	8.4
97.10143	0.8
98.98430	1.5
109.10125	3.6
112.99954	1.4
114.09168	1.6
123.11664	0.9
124.99974	29.9
125.00911	1.2
136.99995	3.1
163.01497	36.0
163.02870	1.2
169.02530	0.9
176.12779	4.2
181.02579	5.8
184.07295	10.4
190.14325	4.2
193.58023	0.8
238.25296	3.0
255.23151	1.9
338.27689	3.9
344.31525	40.5
391.22418	4.1
450.29666	84.4
450.37683	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
55.20575	0.7
56.05040	1.2
57.07067	9.6
61.06877	0.7
65.03929	0.8
67.05489	0.8
67.13040	0.8
69.07054	4.1
69.82207	0.7
70.06585	4.6
71.07366	12.5
71.08624	8.8
72.08147	1.1
77.76170	0.9
81.07048	4.1
83.04964	1.0
84.08141	1.0
85.10159	4.9
86.09694	100.0
88.07610	1.1
89.06048	0.7
95.08580	6.3
95.85984	0.8
97.10170	1.0
98.98435	1.9
109.10189	1.2
123.11665	1.0
124.99985	29.4
131.03569	0.8
132.10217	4.0
146.11749	4.8
150.60835	0.9
160.12495	0.8
163.01524	35.6
181.02538	5.7
184.07318	10.1
212.23669	1.0
238.25333	1.2
255.23091	1.3
256.26242	2.0
300.28934	31.1
388.33990	7.6
391.22394	2.0
416.99686	0.9
450.29749	87.5
450.37750	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	452.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27862	1.2
55.05503	8.0
56.23563	1.3
57.03418	6.0
57.07063	3.2
62.06078	31.2
67.05497	14.2
68.05797	1.8
69.07059	22.7
71.08618	2.0
76.00680	1.6
79.05483	2.4
81.07043	22.6
82.07362	1.8
83.08612	19.9
93.07003	7.0
95.08578	22.3
96.08910	2.3
97.10135	14.4
98.98440	6.9
107.08562	3.2
109.10131	12.3
110.10426	1.4
111.11667	1.7
112.99998	6.4
115.00443	5.8
121.10104	10.7
123.11652	2.7
124.01508	1.9
126.79848	1.4
135.11688	9.3
137.13121	1.5
149.13313	1.8
155.00972	5.8
179.10252	1.3
216.06326	2.6
280.26224	13.6
311.25726	100.0
338.27585	7.5
340.28207	15.0
391.22296	6.1
401.09869	1.9
434.26474	28.6
440.15912	1.8
452.27539	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	453.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81743	0.6
59.32161	0.5
68.12069	0.6
71.62577	0.5
73.37373	0.7
82.01086	0.6
203.74480	0.7
229.62166	0.6
291.09454	0.6
425.50092	0.6
453.13629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01197	0.6
59.12268	0.6
73.06092	0.7
77.33666	0.7
79.11414	0.7
79.20416	0.6
85.02900	1.3
92.53809	0.7
97.02901	1.0
106.27933	0.6
113.68677	0.9
129.05472	8.2
136.85188	0.7
189.94481	0.6
432.34708	0.7
449.77487	0.7
453.13657	100.0
474.41473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53077	0.3
58.69479	0.4
69.03403	0.5
74.02409	1.5
81.03413	0.4
84.01421	0.4
85.02894	5.0
88.03977	4.7
92.16881	0.5
97.02875	0.7
116.03468	2.8
117.70216	0.4
127.03829	0.4
130.06497	100.0
131.06783	0.8
134.04465	16.9
141.88409	0.4
144.08043	4.4
149.46259	0.4
170.06021	0.5
172.07526	24.3
199.08655	0.8
200.07018	0.5
273.08630	2.2
274.10645	0.9
279.77148	0.4
289.32675	0.4
291.09683	34.5
292.11639	1.6
319.24991	0.4
333.10880	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	453.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.00034	0.3
58.37668	0.3
69.07053	2.7
79.05482	1.3
92.33983	0.3
96.08126	18.4
97.06517	0.6
113.10754	10.8
114.09160	57.1
115.07549	0.7
132.10185	0.6
191.15433	0.4
192.13733	0.4
208.18126	3.0
209.16478	49.1
210.14822	0.6
212.44751	0.4
226.19115	17.1
227.17546	8.0
228.15939	14.1
321.26538	2.1
322.24850	28.2
339.27545	5.0
340.25940	3.2
341.24136	0.5
435.33310	15.4
435.39160	0.8
453.34323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68991	2.3
66.43308	2.1
67.80983	2.0
72.01755	1.9
83.08543	2.8
85.02882	3.0
97.94411	2.7
106.02885	2.7
109.10125	15.2
114.09127	22.3
119.08589	2.4
121.10121	3.5
124.03934	3.3
125.55921	2.2
127.26060	2.1
135.07948	4.0
138.02165	11.4
147.08012	31.8
161.05914	3.7
161.13208	23.3
229.15952	4.1
245.19170	2.5
269.18939	34.8
279.17816	2.4
287.19989	22.5
289.38907	2.3
315.19431	44.1
317.20868	2.4
333.20490	100.0
378.06003	2.5
399.25760	2.4
454.22290	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	454.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71297	4.8
68.25637	4.5
69.03423	5.7
69.07069	7.5
72.04493	12.9
73.02928	7.5
81.03393	8.6
85.02888	12.0
90.05556	65.9
95.04925	5.9
97.02903	10.1
98.02428	12.0
99.04438	7.3
100.03964	5.5
101.06020	5.8
109.02874	31.0
116.03427	30.9
124.03931	6.0
124.06711	5.2
124.07574	21.9
127.03890	34.3
142.08617	25.2
160.09659	9.0
174.11243	8.3
177.05417	10.4
184.09636	55.2
199.06238	7.5
200.48772	5.4
202.10735	100.0
211.09625	7.1
220.11827	27.6
234.09680	7.0
259.95609	6.1
328.13867	56.5
346.14972	19.1
357.67499	6.1
364.16028	59.4
436.22198	7.7
454.13901	5.5
454.23053	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	454.2919
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.03438	2.5
57.07066	23.9
62.06079	29.0
63.20564	2.1
71.06719	2.4
71.08620	21.5
81.07028	4.9
83.08611	5.5
85.10164	14.8
88.56348	2.5
92.16981	2.8
95.08589	12.6
97.10151	4.0
109.10120	5.0
216.06508	3.4
282.27716	17.3
313.27298	100.0
436.28198	29.5
454.29114	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	455.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13618	0.1
59.08587	0.1
68.58291	0.1
80.21346	0.1
91.68141	0.1
104.10731	0.2
106.34669	0.1
112.89591	100.0
115.22043	0.1
146.90065	0.1
151.51393	0.1
205.14720	0.1
256.42596	0.1
343.61786	0.1
381.07828	1.3
404.15640	0.1
455.11554	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24083	0.4
52.69687	0.4
54.89474	0.4
55.05491	0.6
57.07038	0.5
67.05449	0.4
69.03403	0.5
69.07039	3.0
78.77802	0.4
78.98189	0.4
79.05477	1.0
81.03386	0.6
81.07051	3.4
83.04941	2.0
83.08598	2.0
91.05454	0.9
93.07002	2.0
95.08588	5.2
97.06496	2.6
105.07009	1.9
107.08566	4.6
109.06474	1.1
109.10150	7.1
111.08044	1.9
111.11655	0.8
117.06974	0.6
118.91463	0.5
119.08567	6.3
121.10136	7.1
123.08030	0.8
123.11642	2.4
129.06958	0.8
131.08563	4.7
133.10120	6.9
135.08049	8.5
135.11644	3.0
137.09575	2.1
137.13239	1.0
139.11119	3.1
142.90111	0.5
143.08571	0.8
145.10086	2.8
147.08040	49.2
147.11703	5.6
149.09555	2.5
149.13220	0.8
151.11104	1.1
155.08536	0.6
157.10078	2.8
159.07976	2.1
159.11664	5.5
161.09615	6.6
161.13174	5.1
163.11111	2.1
163.14816	0.8
169.10086	2.2
171.07919	0.6
171.11679	4.1
173.09622	7.8
173.13235	23.6
173.14746	0.8
175.11194	3.8
177.12762	1.0
183.11617	3.2
185.09686	0.8
185.13260	2.1
187.11198	5.9
187.14761	0.7
189.12686	2.1
191.14282	4.1
197.09645	0.6
197.13222	5.5
199.11136	3.0
199.14726	1.0
201.12732	3.8
203.14305	3.1
207.11693	0.6
209.13161	0.5
211.11165	0.9
211.14746	2.9
213.12730	2.2
215.14310	5.4
221.13155	1.2
223.14722	1.9
225.12683	2.3
225.16397	1.8
227.14273	1.0
229.15858	2.4
231.17351	2.0
234.14044	0.6
237.16327	1.2
239.14270	2.5
239.17932	1.9
241.15846	0.5
242.94890	0.5
243.13782	2.4
243.17325	2.4
245.15356	0.6
248.15506	0.8
253.15712	0.5
253.19470	7.3
255.17416	1.1
257.19003	6.5
261.14883	0.7
263.17947	4.9
266.16635	0.7
269.19006	6.8
271.20532	8.9
281.18979	37.3
287.20041	2.0
299.20038	39.9
304.65945	0.5
317.21075	48.4
335.22134	100.0
456.24084	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	458.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05507	0.9
56.48280	0.8
57.86195	0.8
62.23105	0.8
66.67673	0.8
69.03410	5.7
70.06567	1.0
70.30042	0.8
73.06535	5.5
77.10526	0.8
79.81297	0.9
81.03397	6.4
85.02880	6.6
97.02876	6.2
99.04433	4.1
101.06016	6.8
103.05578	1.0
109.02859	7.1
118.34524	0.9
127.03888	10.4
132.04379	1.1
159.26202	0.8
162.05464	100.0
164.03389	10.7
178.04965	1.4
187.06035	1.2
188.03391	64.5
206.04422	10.2
209.65891	1.0
217.77861	0.9
224.05460	7.7
256.85248	1.0
259.11652	5.3
332.07639	6.2
350.08521	7.0
368.09760	4.0
422.14386	4.4
425.95187	0.9
458.11740	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	458.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12923	0.9
55.05504	1.1
56.05021	1.4
57.03432	1.3
57.63992	1.1
58.06604	1.1
69.51740	1.1
70.06553	1.3
74.06062	100.0
88.07610	5.5
94.08314	1.5
97.10102	1.4
107.47886	1.3
144.20140	1.3
168.24625	1.5
168.47884	1.4
208.96620	1.4
268.26172	4.6
286.27301	35.3
304.28516	2.7
440.27628	1.7
458.28604	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	459.3099
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
54.63158	3.4
55.05495	5.9
57.07050	13.9
59.67115	3.3
67.05489	5.3
69.07052	56.8
70.50095	4.1
81.07052	20.4
83.08607	25.2
93.07018	26.9
95.08582	18.0
97.10182	4.9
103.16870	4.4
105.07038	6.0
107.08582	22.2
109.10139	8.6
119.08559	5.2
121.10116	18.4
123.11684	8.3
133.10127	4.7
135.11687	8.8
137.13216	5.4
145.10112	7.7
147.11687	8.9
149.13246	44.0
151.07489	4.7
165.09042	7.0
173.09628	4.6
189.70602	4.7
191.10582	6.4
198.96797	5.0
211.50098	5.5
315.23154	100.0
333.24127	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	459.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97962	11.2
60.30266	10.5
67.60923	13.2
69.07069	18.3
98.17656	11.4
103.24105	12.8
138.54649	12.4
172.23851	14.1
237.84396	14.0
263.16605	23.4
297.77966	14.9
442.76620	14.6
459.34952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3461
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.05492	3.3
57.07061	9.8
59.39173	2.1
67.05473	4.5
69.07063	18.3
71.08611	10.3
71.53000	2.2
79.05486	3.9
81.07043	18.1
83.08614	4.7
85.06525	2.6
91.05497	2.4
93.07016	12.2
93.97495	2.3
95.08589	11.4
97.06490	2.9
97.10150	11.8
105.07011	4.0
107.08587	9.8
109.10151	9.1
111.08083	2.5
111.11721	4.2
112.99993	39.9
119.08552	5.7
121.06496	3.5
121.10122	3.8
123.11677	3.6
133.06477	2.6
133.10092	3.0
135.08029	21.0
135.11726	3.2
143.08569	2.9
147.08043	5.6
147.11665	3.1
149.04713	2.6
155.08586	3.3
157.10222	2.4
159.08029	11.7
161.09540	4.3
161.13184	2.8
169.02562	31.5
173.06462	2.4
173.09601	9.2
173.13329	2.7
175.11081	3.1
183.11673	3.5
183.89253	2.5
189.09010	3.0
197.13174	3.0
199.11211	3.3
201.12718	18.9
215.14317	4.2
229.15878	9.3
247.16862	24.3
259.16925	3.9
273.14780	9.3
285.18500	2.8
291.26657	3.4
301.18152	3.5
315.23108	3.2
360.70886	2.7
399.28647	3.6
407.21811	3.0
413.34183	2.5
423.32416	3.7
441.33615	45.1
459.34610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.2
55.07704	0.3
57.05816	0.5
69.03419	0.5
72.08148	100.0
85.02897	2.0
86.04673	0.3
97.02895	0.4
102.18147	0.3
116.07059	0.4
118.08641	88.2
120.46217	0.4
125.45599	0.4
127.03902	2.3
145.04935	0.7
189.32695	0.3
261.65512	0.3
287.72925	0.3
295.57910	0.3
325.10815	0.3
460.20361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05458	0.9
85.07662	100.0
109.37955	0.7
137.57022	0.8
235.79498	0.8
292.98148	1.0
374.59872	0.9
376.25897	9.0
396.07913	0.8
416.88541	0.9
419.21072	6.6
437.22125	4.4
460.24274	1.6
460.32907	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	461.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22599	12.9
52.45317	10.7
65.67065	12.2
74.23560	10.7
83.54369	12.2
93.93591	13.4
97.02921	16.4
106.02925	60.0
114.09160	68.5
124.03954	100.0
131.04921	55.3
137.06035	17.0
151.03922	18.6
151.07541	14.5
154.49248	15.5
159.56158	13.1
179.49792	13.8
207.06461	33.1
207.78409	14.4
234.08679	16.2
234.34796	14.4
252.74467	13.5
255.83511	14.8
268.08160	17.8
430.13770	16.6
452.33914	17.5
461.17740	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	18.5
57.07070	63.4
62.82499	13.2
62.91505	12.2
67.05470	11.6
69.07050	58.1
71.08610	55.9
72.81297	11.9
75.35741	11.4
81.07052	96.0
82.76328	12.0
83.08584	57.1
83.32740	12.6
84.08509	11.0
85.10216	17.5
90.42461	11.7
92.68239	12.2
95.08583	52.8
97.10134	22.7
99.04459	16.3
109.10143	20.9
111.11681	30.1
111.18885	11.8
113.56806	12.6
122.12660	13.1
123.11711	14.7
127.03900	28.5
134.67949	13.6
137.05957	80.0
173.09633	18.4
183.06480	67.2
192.04314	12.8
296.31232	13.8
392.45026	13.5
401.33939	57.7
419.34982	48.5
437.65405	14.8
461.36096	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	461.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.6
54.81796	1.6
55.05501	3.7
55.77329	1.3
57.07064	8.1
60.38630	1.5
67.05493	3.9
69.03429	33.4
69.07053	11.6
69.25917	1.6
71.04981	3.6
71.08612	4.4
81.07048	15.6
83.04982	3.1
83.08597	4.3
83.72979	2.4
90.64454	1.5
91.05439	1.8
93.07011	11.0
95.04968	3.0
95.08567	15.3
97.10135	6.5
105.07000	2.5
107.08559	14.1
109.06512	17.2
109.10145	11.2
111.08032	4.0
113.06026	2.8
121.10095	4.1
122.50990	2.0
123.11693	3.7
124.91194	1.8
125.09614	8.5
133.10164	2.2
135.11705	13.0
145.62407	1.7
149.13246	3.2
153.09079	100.0
161.09546	2.9
163.14828	2.2
179.10672	9.9
249.86703	1.9
415.35678	50.4
443.35077	9.9
461.26126	7.9
461.36304	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	463.1231
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
73.87991	0.1
92.17413	0.1
114.09169	0.5
151.03986	0.2
152.32423	0.1
161.43318	0.2
164.30893	0.1
258.05142	0.9
278.69717	0.2
286.04669	10.8
301.07022	100.0
463.12259	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	463.1233
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
54.23997	0.1
57.03425	0.1
61.02924	0.4
66.56795	0.1
69.03413	0.9
71.04977	0.2
73.02892	0.1
73.68935	0.1
81.03396	0.5
84.42326	0.1
85.02402	0.1
85.02897	3.4
92.71294	0.1
95.35196	0.1
97.02866	0.8
99.04424	0.2
109.02870	0.2
110.55882	0.1
114.09186	0.2
125.34934	0.1
127.03887	0.2
133.41623	0.1
149.05815	0.1
151.03903	0.1
258.05182	0.7
286.04681	13.4
301.07019	100.0
313.07083	0.1
317.06500	0.2
351.86539	0.1
383.66556	0.1
386.33487	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	463.1231
Annotation	Tricin 7-xyloside
Peak:m/z	Relative Intensity
59.93061	0.3
73.86797	0.3
85.02882	1.7
89.72870	0.4
97.02857	0.8
103.03894	0.6
109.02857	0.9
122.22432	0.4
125.98456	0.4
151.03867	2.4
158.84564	0.4
165.01733	0.7
195.02896	0.7
210.75998	0.3
261.03967	0.8
296.06735	0.8
297.07507	2.1
298.04700	3.4
300.06287	2.1
301.07080	5.3
310.04730	0.7
311.09125	4.7
313.07025	100.0
314.07834	2.5
314.11804	0.4
324.06271	3.5
325.07056	5.8
325.10779	1.7
327.05069	0.5
327.08456	3.0
328.05719	8.2
335.09045	0.9
337.07114	1.5
338.07706	3.8
339.04980	2.1
339.08588	21.2
343.08081	78.6
351.08600	0.9
353.10144	20.6
363.08563	3.8
364.05670	0.9
365.06534	0.5
366.07245	0.9
367.08078	28.8
376.05783	1.6
379.08136	15.8
381.09558	2.4
391.08072	8.6
394.06830	2.8
397.09125	16.6
409.09149	12.1
427.10144	13.1
445.11246	27.0
463.12286	33.9
477.87741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1228
Annotation	Tricin 7-xyloside
Peak:m/z	Relative Intensity
57.03407	0.9
63.18809	0.7
68.26777	0.8
85.02859	11.4
86.03214	1.8
95.60876	0.8
97.02853	3.5
105.19404	0.8
106.02891	1.0
118.04858	0.9
121.06443	4.0
127.03886	3.5
145.04916	3.7
146.05220	1.1
212.65540	1.0
283.06000	6.4
300.06409	1.9
301.06973	4.4
313.06973	100.0
317.41724	1.1
323.68933	1.0
325.07123	4.0
327.08487	3.3
335.08936	1.3
337.06903	1.0
338.07748	2.1
339.08517	26.4
343.08014	40.2
353.10156	16.7
363.08484	1.6
365.06314	1.1
367.08002	25.1
379.07986	5.5
381.09561	1.3
391.08063	10.2
397.09152	14.5
409.09229	8.8
427.10199	12.8
445.11157	19.0
463.06250	1.3
463.12500	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	463.3774
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.05511	6.4
57.06814	1.1
57.07073	30.1
59.88226	0.7
62.42426	0.7
67.05492	2.8
69.06695	1.0
69.07060	18.0
71.08623	24.3
75.40581	0.6
75.64007	0.7
81.07046	12.3
83.08611	14.2
85.10172	14.1
91.26442	0.7
93.07017	2.9
95.08585	12.5
96.55682	0.7
97.06524	3.2
97.10151	11.0
98.18512	0.7
99.04430	2.9
99.11739	0.8
99.55859	0.6
105.07024	2.7
107.08577	3.7
109.06518	12.7
109.10140	8.0
109.48772	0.8
111.08056	1.7
111.11684	6.5
119.08551	3.2
121.06495	0.7
121.10112	5.0
123.08051	9.1
123.11707	2.3
125.05959	13.0
125.09579	1.0
125.13252	1.1
127.07533	27.9
131.08455	0.8
135.07991	2.7
135.11653	1.5
137.05959	1.6
137.09567	3.2
137.13226	0.8
139.07521	77.8
139.72293	0.7
145.10037	0.9
147.11687	1.3
149.05951	4.6
149.09616	3.6
149.13211	1.5
151.07466	6.0
151.11159	1.1
161.13199	1.0
163.07593	1.3
165.09058	2.8
167.07042	4.0
175.11205	1.0
175.14723	1.0
177.09056	11.7
179.10718	1.2
187.95726	0.7
189.12709	1.6
193.12277	0.7
203.14293	0.7
234.95781	0.8
301.28897	1.0
319.29852	2.8
347.33218	5.1
399.36298	1.0
403.35672	1.1
417.36993	7.0
427.35748	1.3
445.36728	31.9
463.37723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	0.8
81.03418	3.7
83.04980	0.7
85.02885	0.9
91.05449	0.9
92.17503	0.8
93.07006	0.4
97.02885	0.5
106.02911	0.8
109.02869	2.3
114.32597	0.4
119.04942	5.5
124.03944	2.6
126.12777	0.5
127.03886	0.4
147.04401	100.0
165.05446	4.3
224.36877	0.6
264.23389	0.5
289.85986	0.5
291.08560	1.9
309.09702	4.6
464.15445	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	464.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92818	2.3
60.24739	2.7
69.03419	5.7
81.03388	4.5
85.02895	100.0
87.41486	2.6
91.03948	4.6
91.05457	52.2
94.85731	3.3
95.01319	15.3
97.02876	29.8
97.28599	2.9
103.03958	4.7
109.02870	3.9
124.03940	5.4
127.03884	27.2
128.93954	2.7
141.01805	97.1
141.02802	5.0
142.14900	2.8
145.04933	49.4
151.03889	16.2
159.02895	12.0
163.05991	15.8
168.08733	3.6
210.00664	3.1
321.07977	21.8
464.18268	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	464.2053
Annotation	4-hydroxy Nonenal Glutathione
Peak:m/z	Relative Intensity
52.09893	1.3
57.03416	1.6
58.99567	8.0
60.06175	1.3
66.46272	1.6
67.05458	1.5
69.03413	2.2
69.07034	2.3
71.04961	1.8
71.08617	2.0
71.83157	1.5
76.02213	92.1
76.03957	3.5
79.05463	10.3
81.07035	1.9
83.04970	17.1
84.04488	19.2
85.77090	1.3
88.42499	1.5
88.52020	1.5
93.07023	9.5
95.08589	3.5
99.08102	2.2
106.02872	1.9
110.26178	1.7
116.01640	18.4
121.10148	1.8
130.04974	28.6
139.11150	90.9
142.03221	6.2
144.01106	17.7
147.58679	1.5
159.11372	1.5
162.02156	53.1
170.02742	3.3
177.03212	14.8
179.04810	48.5
187.05324	3.8
196.11447	3.4
231.04375	1.8
231.90610	1.7
233.05878	14.6
245.05873	3.4
253.78740	1.8
308.09015	100.0
371.66458	1.8
446.19315	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	464.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63982	0.6
55.20198	0.5
58.69012	0.5
60.08149	12.5
63.18688	0.6
63.27292	0.5
67.05491	1.3
69.06274	0.7
69.07049	1.1
71.07349	1.1
78.24596	0.7
79.05486	1.1
81.07024	3.1
86.09690	37.9
95.08567	1.1
104.10724	91.4
120.28072	0.6
124.99981	16.4
152.08571	0.6
175.87999	0.7
184.07300	100.0
220.61690	0.7
414.82797	0.7
446.26575	5.5
464.27618	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1021
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
53.03939	0.4
56.27802	0.4
57.03411	0.6
58.09169	0.4
60.81275	0.3
61.02909	0.8
62.14764	0.3
64.33062	0.4
69.03410	3.3
71.04979	0.5
73.78377	0.4
76.02196	2.5
81.03384	2.3
85.02895	11.9
91.03910	0.5
97.02881	3.2
109.02853	0.7
124.03889	0.7
127.03864	2.0
137.02283	0.7
139.11159	1.6
140.11528	0.8
145.04889	0.6
162.02158	0.8
165.01898	0.6
192.23138	0.4
197.84349	0.4
257.04416	0.7
268.08389	0.5
303.04922	100.0
308.09021	1.0
309.09314	1.8
321.78937	0.5
338.96661	0.5
447.19427	0.5
465.15787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1175
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.17562	1.1
55.44266	0.9
61.09671	1.1
66.95261	1.0
109.10121	1.4
137.05977	2.0
146.61636	1.1
146.62993	1.2
147.04422	1.3
148.05209	4.6
153.01807	2.2
161.05945	7.1
161.36331	1.3
242.05595	1.8
253.04909	5.9
257.04395	55.9
257.07089	1.8
258.05240	2.5
265.71750	1.3
270.05167	11.7
285.03958	6.1
286.04672	53.1
286.07660	2.4
287.05496	16.6
297.03961	5.1
341.06467	1.5
342.03937	1.3
363.12408	1.2
432.08295	2.8
435.10828	5.4
447.10733	22.3
452.67108	1.3
465.11749	100.0
468.76602	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	465.1173
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
65.38494	2.8
75.45077	3.2
77.99838	2.9
82.09953	3.2
82.86290	3.3
84.36532	3.3
92.77496	2.9
112.95918	2.9
137.05954	3.5
153.01788	4.2
174.66693	3.3
182.75777	3.0
186.29794	3.7
403.08115	12.4
415.07898	4.6
419.07651	4.9
420.08295	6.8
432.08310	100.0
435.10455	36.4
447.10632	48.0
465.11719	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.01856	0.9
56.00891	0.4
56.05009	0.7
57.03420	1.0
57.09539	0.5
61.02892	1.9
69.03418	5.8
69.67963	0.4
70.06555	0.6
70.80179	0.5
71.04974	11.4
73.02895	1.1
75.60883	0.4
81.03384	2.3
85.02887	11.9
85.25188	0.5
87.04451	1.8
87.17818	0.6
90.08170	0.4
94.06519	0.5
97.02326	0.5
97.02847	4.0
98.06030	58.5
99.04430	22.5
99.05092	0.9
109.02847	1.2
112.07577	0.9
115.08665	3.1
116.07059	31.6
126.09163	0.7
127.03848	2.9
135.04419	0.6
138.05466	4.8
139.03844	0.6
140.07034	3.2
142.08615	2.1
148.07610	0.5
152.07047	2.0
153.05455	0.5
154.08533	0.6
156.06485	0.6
157.09650	2.6
162.09090	0.7
168.10197	0.6
170.08084	2.2
176.06999	10.0
178.08594	3.0
186.11246	2.2
188.09132	9.2
190.08566	4.6
192.10191	2.0
194.08095	1.1
200.07137	1.2
203.13896	1.1
206.08069	1.0
206.96336	0.7
208.09685	2.8
210.11218	1.1
214.55411	0.5
216.21729	0.5
218.08043	14.7
220.09607	1.0
222.11273	0.7
232.09567	0.8
235.08447	1.0
235.10675	15.0
236.09056	1.1
238.10661	8.0
249.12299	0.8
250.10634	14.4
257.14966	2.2
261.17828	0.6
267.13293	1.1
284.99200	0.7
285.14334	3.2
286.12756	2.1
303.11865	1.1
303.15424	41.4
465.20697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2924
Annotation	1-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.08317	0.2
54.59477	0.3
55.05489	0.5
57.07042	0.5
58.06586	0.4
60.08155	12.5
67.05476	1.2
69.07065	2.1
69.96800	0.3
71.07365	2.1
79.05470	0.5
81.07038	0.7
83.08569	1.2
86.09686	38.2
93.07014	0.6
95.08561	1.5
95.49317	0.3
97.06480	1.0
97.10174	0.5
98.98424	0.4
104.10722	90.9
107.08561	0.5
109.10103	1.2
112.60246	0.3
121.10101	1.9
124.99973	14.9
129.05431	1.8
132.22285	0.3
135.11644	1.3
149.13255	0.3
152.92749	0.3
163.01466	0.5
181.02531	0.5
184.07298	100.0
191.17918	0.5
258.10986	0.4
283.22659	0.6
291.67911	0.4
336.06387	0.4
448.28198	5.5
466.29199	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	467.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11591	2.9
54.86962	3.5
55.05498	22.1
57.02565	3.2
57.03421	3.5
57.07060	6.2
67.05180	5.7
67.05502	86.4
69.07053	22.4
71.08628	8.6
79.05481	13.4
81.07048	100.0
83.08603	15.7
87.54576	3.3
93.07029	20.9
95.08595	71.5
97.06546	4.1
97.10149	38.4
105.07051	4.4
107.08576	16.9
109.10149	36.5
113.00019	3.9
121.10128	16.8
123.11690	14.9
125.09607	22.6
131.08594	4.8
135.08028	3.9
137.13246	5.1
149.13213	4.4
168.06439	3.7
169.02519	7.4
173.13246	5.1
187.22437	3.6
189.11223	5.6
209.36293	3.6
279.23099	23.7
298.48648	3.9
303.56165	4.0
313.27426	6.8
467.33206	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	468.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79097	1.4
55.93521	23.0
71.92993	8.3
72.93773	13.7
75.49496	1.7
79.58362	1.6
81.03381	7.4
84.75491	1.7
89.94023	2.5
90.94804	11.6
93.08118	1.9
97.02883	2.1
101.02325	2.6
107.95071	2.8
116.96310	3.5
118.94262	2.8
126.05467	4.4
128.96304	2.6
131.95020	27.8
132.95779	2.5
141.97070	18.4
142.97935	2.2
143.95023	3.1
143.98619	2.4
144.95793	19.7
145.96593	4.2
149.96083	43.4
151.97655	3.5
156.95827	2.6
157.96542	14.2
159.94508	2.0
159.98094	13.4
160.98906	2.7
161.96078	19.3
162.07515	2.1
162.96849	9.5
163.00473	3.1
163.97586	1.7
168.95901	1.8
169.96559	33.4
173.96049	22.7
175.97668	7.5
177.99176	4.3
179.97018	1.9
180.00807	3.3
181.96558	65.6
183.94499	30.8
185.96111	32.3
185.99628	16.3
186.96819	7.1
187.97601	13.7
191.97186	2.7
195.98141	3.3
197.96065	3.1
199.00533	7.5
199.97624	47.9
201.95518	3.9
202.96211	2.2
203.97130	3.4
204.00720	25.1
205.01607	7.8
209.96103	7.6
215.97105	17.0
217.01501	34.2
217.98706	2.9
222.01726	7.3
225.99261	14.5
233.98184	7.4
234.98981	9.5
235.99731	8.8
246.01826	13.5
249.97711	9.6
262.01285	100.0
271.99512	3.0
273.77817	2.0
275.99136	27.3
277.00000	4.1
288.02747	4.0
289.00165	2.3
290.00858	7.3
302.00800	2.5
306.03909	73.9
311.99103	3.4
324.04874	16.2
330.00253	2.1
360.01514	6.8
378.02362	83.7
379.92023	2.2
468.09189	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07030	1.2
60.07948	0.7
60.08158	11.5
67.05486	0.9
67.99538	1.0
71.07342	1.9
82.90246	1.2
86.09150	1.3
86.09685	38.1
86.10172	1.7
89.80174	0.9
93.06988	1.1
95.08620	1.1
102.17963	1.1
104.10722	91.3
113.00011	1.3
121.10094	1.6
124.99954	13.7
143.85515	1.0
163.01398	1.3
184.07292	100.0
184.57343	1.2
312.57703	1.0
450.22668	6.1
468.23596	52.3
468.30698	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	468.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06117	0.3
51.20819	0.3
57.07060	0.5
59.57872	0.3
60.08153	4.1
71.07359	0.4
71.08613	0.6
72.78120	0.3
74.41853	0.3
86.09683	20.5
87.47503	0.4
95.85921	0.4
104.10701	2.3
111.43412	0.3
119.48318	0.4
124.99970	10.4
156.69180	0.3
184.07297	100.0
450.29929	0.5
468.30746	15.4
489.23044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3077
Annotation	1-Myristoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.30239	0.6
56.64030	0.5
57.07058	3.0
60.08158	11.9
69.07038	0.5
71.07354	2.8
71.08612	1.4
81.07014	0.7
85.10170	1.2
85.17712	0.5
86.09687	37.8
92.17524	1.2
95.08591	0.9
98.98476	1.1
104.10723	89.4
107.77910	0.6
110.69421	0.7
117.04344	0.5
124.99969	15.1
163.01465	1.0
184.07300	100.0
220.06769	0.5
285.24136	3.3
413.49399	0.6
450.29861	6.4
468.30756	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	469.1123
Annotation	Cadensin G
Peak:m/z	Relative Intensity
63.99592	0.8
65.99683	0.9
83.19382	1.0
110.63192	0.9
114.09164	10.0
127.03882	4.5
137.05922	1.6
139.03862	1.9
144.44919	1.0
149.09612	0.9
151.03807	1.3
155.03375	1.5
270.05206	5.1
284.06512	1.1
287.05435	5.0
299.05392	1.9
301.03009	1.3
313.06998	8.9
314.07813	4.6
315.04922	20.8
315.08560	14.9
316.05746	10.5
346.18539	1.0
419.88345	1.1
423.07074	46.7
423.12863	1.6
437.08411	4.4
439.06210	1.6
454.09039	6.7
469.11206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01860	1.0
69.03403	7.1
71.04967	4.7
81.03394	26.2
83.04967	4.8
85.02874	1.4
86.50166	0.7
99.04420	15.8
103.03914	3.3
106.42607	0.9
109.02851	10.5
117.05449	2.8
117.21425	0.8
117.83295	0.7
124.03921	1.0
127.03881	3.1
131.93657	0.7
147.09111	1.0
175.08607	12.4
191.08093	100.0
203.08112	1.3
204.08919	1.1
289.11749	7.8
289.63031	0.8
294.66074	0.8
299.58420	0.9
307.12772	24.1
325.13867	18.4
331.12695	3.9
349.13718	3.8
389.17062	1.2
397.13522	1.2
407.18127	3.4
415.14783	6.5
433.15948	15.0
436.66467	0.8
451.17090	19.5
469.17850	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	470.1972
Annotation	915019-65-7
Peak:m/z	Relative Intensity
59.84759	0.2
60.05615	0.2
69.03404	1.5
69.50990	0.2
73.02879	0.8
80.93415	0.2
81.03386	0.3
85.02405	0.2
85.02875	4.1
86.05563	0.3
86.06041	7.5
87.04443	9.6
97.02865	1.9
99.04398	0.3
104.07052	0.9
108.04413	0.8
109.02850	2.7
111.05526	2.4
126.05435	0.2
127.03877	4.1
128.08167	8.6
129.05460	0.3
129.06528	1.3
145.04919	2.7
146.09215	8.2
153.06557	0.8
171.07599	0.4
188.10237	1.1
201.08551	0.3
209.47758	0.2
212.09105	0.2
213.07474	0.2
218.11316	1.2
231.08607	1.0
237.08624	1.4
248.12457	6.3
254.11186	0.3
255.09694	1.0
266.12195	0.8
272.12341	0.5
273.10773	2.1
290.10049	0.2
290.13394	9.6
308.14438	100.0
470.19699	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2194
Annotation	Latrunculol B
Peak:m/z	Relative Intensity
51.68570	2.8
79.47778	3.4
85.02892	7.7
89.69315	3.4
91.40596	3.0
91.45914	2.9
95.04942	26.7
100.06846	3.5
103.03973	4.2
104.44490	3.1
111.15126	3.3
114.09210	3.3
121.10135	3.7
122.02707	7.2
123.08018	4.1
127.03945	10.8
137.09537	4.7
138.02136	3.7
147.08043	4.3
149.09668	4.1
161.05965	4.9
255.88422	3.5
257.31949	4.1
269.04620	3.5
363.16302	17.3
452.20975	12.4
470.21967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	2.0
81.25331	1.2
84.57637	1.2
85.02902	11.5
89.47707	1.0
97.02877	2.4
101.26057	1.1
106.35667	1.0
118.06499	13.0
119.56218	1.0
121.51450	1.4
129.72174	1.2
130.06500	100.0
132.08052	1.5
136.06215	1.1
144.08057	29.0
156.08022	10.5
160.07587	1.7
163.15009	1.2
172.07530	49.8
174.09068	18.9
190.08601	62.8
276.64380	1.1
473.21619	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.0
55.82306	1.1
57.03435	5.6
59.60968	1.1
67.81928	1.1
71.01330	2.2
73.02903	3.3
74.03426	1.2
81.05537	1.4
83.04979	32.3
85.02882	12.0
94.17012	1.5
106.02907	14.3
113.02354	10.1
117.05479	5.9
124.03932	100.0
124.75841	1.2
129.06561	1.2
131.03395	2.4
141.01778	9.3
150.05461	2.0
157.08578	33.0
159.02902	1.5
162.59200	1.3
180.06535	21.4
198.07587	28.9
280.11798	15.0
298.12875	17.0
333.11719	5.7
374.10855	2.6
380.57077	1.7
456.14868	15.3
464.13522	1.5
474.15887	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	474.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93834	0.2
55.47210	0.3
55.57656	0.3
56.90292	0.3
59.70883	0.2
69.03418	0.3
79.09719	0.3
85.02861	0.5
95.55463	0.3
111.05544	1.6
118.57473	0.4
120.04426	0.6
120.08056	0.5
132.04424	10.8
134.05986	2.3
151.06165	0.6
162.05441	4.1
164.03375	0.4
166.08611	0.4
188.03419	1.9
194.06729	2.1
195.07527	1.1
230.09261	0.4
242.09189	2.5
259.11829	14.2
284.11319	8.7
302.12411	17.6
307.95837	0.3
327.11798	4.7
330.91714	0.3
345.12985	100.0
354.12784	0.3
456.16309	0.6
474.17191	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	474.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78244	0.2
57.40719	0.2
59.54759	0.2
65.56071	0.2
69.07039	1.1
85.02887	2.0
86.09686	100.0
97.02854	1.0
99.59128	0.2
104.65559	0.2
115.03884	0.2
127.03904	1.6
131.04399	0.2
132.04416	1.0
132.10172	70.3
145.04921	0.8
162.05466	0.2
242.09128	0.3
248.78427	0.2
259.11777	1.1
284.11288	0.4
302.12186	1.3
327.11847	0.8
345.12961	8.9
474.17154	2.7
496.16815	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	475.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33258	0.2
68.79964	0.3
69.07059	0.3
69.68039	0.2
70.02934	0.4
72.31695	0.2
74.02433	15.2
75.66066	0.3
81.85374	0.3
82.20816	0.3
83.18752	0.2
86.09698	7.9
87.05583	33.9
87.10034	2.7
88.03983	5.4
116.03433	7.4
132.10199	5.0
133.06076	100.0
133.10550	2.5
207.19244	0.3
207.79877	0.3
209.13676	0.3
342.98093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61356	2.0
55.05505	21.7
57.03431	33.3
57.07076	20.8
61.02911	10.7
61.96276	2.1
63.68097	2.2
67.05497	31.0
69.03430	2.0
69.07065	31.2
71.04973	2.4
71.08612	12.7
73.02909	3.0
79.05479	14.3
81.03368	2.1
81.07047	41.0
83.08619	26.2
85.02883	8.7
85.10179	8.8
86.17449	2.2
91.03932	5.5
93.07027	28.7
95.08602	43.6
97.02888	5.5
97.06519	3.6
97.10155	14.4
98.98456	62.7
105.07008	12.7
107.08580	23.6
109.02881	2.2
109.10155	24.4
111.08071	3.1
119.08575	11.3
121.10081	18.1
123.11726	4.6
127.03977	2.3
131.08543	2.3
133.10088	3.9
135.11668	12.0
136.99969	72.6
145.10121	2.6
147.11620	3.1
149.13269	4.3
154.99864	2.3
155.01010	69.8
161.13290	3.4
163.14761	2.7
171.11580	2.6
173.13135	2.1
197.64838	2.6
198.62628	2.2
201.71097	2.4
211.03664	3.9
219.94958	2.4
245.35938	2.8
293.23920	2.6
313.27316	10.5
339.28839	14.7
475.27661	100.0
475.38116	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	475.3047
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
55.05492	0.8
59.06105	1.1
60.06413	0.9
67.05495	1.7
69.07046	1.7
89.03863	1.1
95.08598	3.9
107.08578	1.3
109.10146	1.8
116.09675	0.9
117.03359	2.2
117.46484	1.0
119.08541	1.1
121.10104	1.0
125.31954	1.0
134.98157	1.2
145.02829	50.0
149.05931	1.5
177.05444	100.0
186.05583	1.1
194.11520	22.6
195.06256	1.0
266.83362	1.1
293.30154	1.0
415.07739	1.1
440.26132	1.0
475.27332	14.6
475.31967	2.8
494.22452	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	475.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44983	2.8
53.00294	5.1
53.03941	17.1
57.03437	49.5
57.07074	100.0
60.60659	3.0
61.02914	15.7
67.05494	20.3
67.78155	3.2
69.03417	51.1
69.07047	19.2
70.32234	3.2
71.04975	22.1
71.08620	73.5
73.02911	9.3
75.04442	3.9
78.08736	3.3
81.03413	88.2
81.07055	41.3
83.08601	25.2
85.02892	56.5
85.10166	47.9
87.04435	4.5
88.33955	3.3
91.03934	4.0
95.08574	47.0
97.02868	37.8
97.10162	6.1
99.04430	28.7
103.03937	35.6
109.02859	62.0
109.10156	26.9
110.46649	3.2
115.85706	3.5
119.24216	3.4
123.11731	4.6
127.03895	49.1
145.04967	8.8
156.03632	8.2
160.24820	4.0
172.36082	3.4
183.06540	15.6
189.21078	3.7
201.07545	15.0
225.04149	4.6
236.14882	19.4
237.15269	14.5
239.23679	23.6
263.95248	4.2
266.23441	4.2
313.27313	44.1
321.09708	3.9
383.27847	81.6
438.25894	4.6
457.31512	17.6
475.32379	42.9
475.38382	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	475.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	8.4
57.03423	12.6
57.07078	49.9
61.02925	63.2
61.25475	5.2
67.05502	12.6
69.03407	32.7
69.07045	12.7
71.08629	46.2
73.02895	31.2
81.03404	9.8
81.07063	35.5
83.08607	31.8
85.02895	61.9
85.03334	7.3
85.10157	25.0
91.03949	32.3
95.08577	46.5
97.02883	57.9
97.10116	8.9
99.04455	6.1
101.02399	11.2
109.10136	12.8
127.03873	10.2
135.11417	6.3
239.23694	12.8
249.84544	6.3
264.56152	8.2
313.27258	56.4
410.18564	7.0
457.31927	8.5
475.27280	6.6
475.32779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	1.9
70.96809	0.4
74.02435	33.3
85.02885	5.9
86.09689	5.0
87.05568	4.8
87.60512	0.5
88.03982	51.2
88.05904	0.8
97.02856	3.5
99.04447	0.5
116.03439	31.5
125.16666	0.7
127.03905	6.5
132.10199	1.2
133.06081	13.4
134.04475	100.0
134.06444	3.0
134.08055	1.1
145.04935	3.8
150.21063	0.5
157.61443	0.6
217.52989	0.4
314.10440	0.5
401.44623	0.5
406.17157	0.5
470.55170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.9
57.03428	2.8
57.07059	1.5
62.06088	39.9
67.05497	34.5
69.07068	13.0
70.19658	1.2
71.71879	1.2
79.05481	19.4
81.07048	36.8
83.04957	1.5
83.08601	5.1
83.98940	1.1
84.46354	1.2
91.05473	11.3
92.16833	1.9
93.07023	25.4
95.08598	31.1
97.60111	1.1
97.70920	1.2
98.98442	12.0
99.61588	1.3
105.07029	9.9
107.08579	16.8
109.10129	12.2
118.95905	1.2
119.08557	9.0
121.10136	14.1
123.11666	2.9
124.01540	1.7
131.08557	5.9
133.10112	5.0
134.71060	1.3
135.11679	6.7
141.90677	1.3
142.02626	1.7
145.10068	2.4
147.11693	4.4
149.13235	2.5
155.01033	2.1
159.11652	2.0
161.13161	2.4
172.98701	1.3
173.13231	2.9
186.96909	1.2
216.06386	4.2
230.21671	1.2
261.22125	7.8
304.26337	11.1
335.25757	100.0
366.43356	1.3
415.22443	6.2
458.26593	42.6
476.27640	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	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90267	3.0
51.54888	3.4
55.05513	6.7
56.54948	3.2
57.03456	3.3
62.06094	43.3
67.05499	24.6
69.07051	8.9
79.05487	9.0
81.07040	34.7
83.08633	5.1
91.05465	8.9
93.07039	25.7
95.08590	25.1
97.10163	5.5
98.98476	6.0
105.07012	14.0
107.08582	19.6
109.06482	4.1
109.10142	8.3
117.07019	6.0
119.08572	16.6
121.10175	9.5
126.88280	3.9
131.08557	6.4
133.10130	9.6
135.11646	5.7
147.11642	7.2
149.30150	4.0
161.13368	4.2
175.14804	4.2
192.43567	3.6
198.05266	4.6
216.06277	4.5
218.72972	3.7
243.21234	4.5
261.21957	6.6
282.77515	3.7
304.26389	8.0
317.25208	3.8
331.57364	4.7
335.25742	77.5
395.47562	4.3
415.22443	6.4
458.26920	30.8
476.27548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1388
Annotation	Precatorin I
Peak:m/z	Relative Intensity
53.19535	0.3
59.72914	0.3
60.69181	0.4
61.15976	0.3
65.18153	0.4
68.34705	0.4
85.02879	1.6
109.02888	0.7
112.35748	0.5
114.03673	0.4
138.27208	0.4
141.46841	0.4
175.03769	0.6
191.51151	0.4
193.36812	0.4
209.64774	0.4
219.06406	0.8
257.04572	0.5
266.03726	0.4
275.05557	0.7
282.05106	0.8
297.07562	6.1
310.08218	0.6
311.08810	0.4
312.06110	3.4
314.07806	1.8
315.08386	3.4
324.06354	1.5
324.10025	0.6
327.08588	100.0
334.08426	0.7
338.07828	6.8
339.08505	3.4
341.10217	1.8
342.07352	7.9
349.10696	0.9
351.08582	1.0
352.09436	5.1
353.10156	23.7
357.09625	42.5
365.10098	0.8
367.11713	18.0
369.09814	0.8
377.10129	2.1
378.07324	0.6
379.07806	0.6
380.09067	0.5
381.09613	26.4
390.07242	1.0
393.09641	7.3
395.11139	1.0
405.09677	9.2
408.08377	2.8
411.10693	17.0
423.10641	11.4
441.11740	16.4
459.12811	23.0
477.13864	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	478.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38445	3.0
58.99569	7.2
59.31783	3.7
71.08617	17.0
74.29927	3.4
76.02212	100.0
76.06797	3.8
84.04491	24.8
85.01072	5.6
88.94830	4.0
97.02856	6.4
99.04455	6.7
99.08072	46.9
107.08566	17.3
111.04419	5.1
114.00081	10.0
115.86704	4.6
116.01642	22.4
117.07009	4.2
118.72503	3.9
130.04994	27.9
133.00400	4.2
135.08038	26.0
142.03218	5.1
144.01123	18.7
153.09087	34.9
162.02151	46.9
171.10172	7.8
175.28380	4.7
179.04855	27.6
189.03253	6.8
203.07338	25.5
210.09457	18.2
228.10478	27.4
233.05817	9.0
237.02631	4.2
246.11375	4.9
285.12601	4.7
313.12079	6.9
331.13123	93.8
349.14273	41.3
403.15115	24.1
478.18243	64.8
494.09903	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	478.2919
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.62693	3.0
53.56693	4.0
55.05496	6.7
58.04362	3.9
62.06085	31.6
67.05486	21.2
69.07043	16.0
71.30393	4.2
74.53949	4.6
78.39397	4.4
79.05484	4.5
81.06644	4.0
81.07034	41.0
83.08587	5.1
93.07013	8.5
95.08584	27.4
98.98465	5.4
107.08558	7.6
109.10129	17.4
115.73107	4.1
121.10127	6.1
135.86125	5.0
172.24129	4.9
225.56525	5.2
245.36493	4.5
263.79181	4.2
306.28003	10.1
337.27289	100.0
417.24130	4.4
460.28061	36.6
478.29172	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	478.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
56.05025	1.3
57.07082	10.0
58.86894	0.9
59.36425	0.9
61.48230	1.0
67.05494	6.2
68.26783	1.1
69.07057	2.9
71.07363	11.5
71.08620	7.8
74.67850	1.4
77.27074	1.1
77.86995	1.0
81.07072	8.9
83.05009	1.1
83.08593	5.3
85.10182	2.7
86.09696	100.0
90.60854	1.0
94.37318	1.1
95.08569	9.4
97.10136	1.4
109.10149	2.6
114.67484	1.2
123.11707	1.9
124.99982	33.3
137.13202	1.3
163.01523	35.0
174.33289	1.1
181.02580	6.4
184.07303	11.3
257.29144	1.4
277.83554	1.4
337.27383	8.2
406.99274	1.2
419.25674	5.3
460.28357	1.5
478.32947	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	478.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82574	0.6
55.05492	1.1
56.03149	0.7
56.05022	1.7
57.03425	0.7
57.07068	9.0
60.75171	0.7
65.03915	2.8
67.05487	1.3
68.98179	0.6
69.07030	1.6
71.07361	11.5
71.08633	7.1
77.54661	0.6
81.07038	3.5
83.08594	1.0
85.10181	7.0
86.09689	96.2
95.08584	5.7
98.98465	1.0
101.61866	0.8
109.10096	0.9
116.44274	0.8
123.11627	0.8
123.20201	0.7
124.99979	28.0
136.99962	1.6
163.00116	1.2
163.01503	38.6
167.80652	0.8
181.02579	5.2
184.07275	10.5
277.73560	0.8
283.26328	1.3
419.25555	2.9
464.16223	0.8
478.32828	100.0
495.50174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73355	0.5
58.84818	0.6
59.05825	1.1
59.06118	30.8
67.32707	0.7
85.07648	41.0
85.08167	1.3
101.07178	0.8
103.08685	100.0
159.34869	0.8
301.00690	0.9
306.26974	1.3
376.25653	3.2
434.30838	1.1
476.91806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85545	0.5
83.17077	0.6
94.92978	7.1
112.89596	0.8
114.89323	1.5
120.94515	0.9
136.93994	93.6
148.93988	30.4
148.95105	1.4
165.37271	0.7
166.95024	17.1
178.95023	1.4
190.95068	0.7
196.96101	4.4
200.64964	0.6
214.89459	1.5
256.90509	1.1
256.98157	7.8
284.80368	0.7
296.06482	1.2
319.24875	0.8
381.07837	100.0
382.53342	0.7
419.03427	90.7
498.87653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71549	1.7
59.03231	1.7
65.08906	2.1
80.66544	2.4
103.09821	2.4
107.04982	2.7
107.08572	3.3
107.32018	2.1
118.98399	1.9
133.02856	4.2
137.05939	3.7
153.01785	14.0
241.04883	5.2
284.06973	2.8
301.07175	3.0
313.07019	20.8
315.04892	3.4
315.08414	3.9
316.05695	4.4
327.04980	3.8
327.08636	3.1
329.06598	7.8
331.07922	2.4
341.06522	4.3
383.36539	2.4
404.08936	3.9
405.09573	5.1
412.67010	2.9
421.09216	5.2
433.08789	21.5
435.10950	5.0
447.10587	11.1
464.62073	2.8
479.13284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72299	6.8
63.24416	7.7
91.05445	9.3
107.04942	8.2
121.06567	9.7
137.05983	100.0
149.05954	18.9
151.03795	9.5
163.01805	12.6
165.05405	9.6
179.04764	12.0
284.68759	9.0
285.11185	12.7
364.67194	8.8
397.14337	35.8
401.14633	10.4
412.22632	10.0
437.17325	51.6
461.15906	11.4
468.37186	9.4
479.13065	19.4
479.30243	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	479.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52689	3.8
64.27957	3.8
66.21961	3.5
68.25816	3.9
69.29167	4.1
75.32787	4.0
77.49313	4.2
91.05458	8.4
103.05437	5.1
107.04938	20.2
107.08581	5.0
119.04901	5.1
121.06483	37.5
134.03630	4.9
137.05942	100.0
147.08031	5.9
149.05927	98.9
151.03918	5.9
151.07524	18.3
161.05951	19.4
162.03090	23.9
165.05473	8.7
177.05449	40.2
207.06508	5.7
213.16255	5.5
225.09023	5.5
237.09018	9.8
253.08463	8.1
265.08527	5.4
269.08051	5.2
277.08533	6.7
284.10321	7.0
285.11163	9.7
290.15421	5.1
290.82324	5.1
449.15988	8.4
455.54916	4.4
479.16916	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	479.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41179	2.6
79.59219	3.0
91.05505	3.8
92.17446	6.1
95.08588	3.3
97.64340	2.8
105.67670	3.3
109.06480	3.3
110.26948	3.3
115.05418	3.7
119.04897	5.6
119.11337	3.1
121.06492	5.0
137.05952	100.0
143.04869	3.7
149.05928	3.5
151.07497	65.3
157.06482	5.6
161.05946	16.4
161.09616	7.1
175.07520	4.3
177.09047	5.9
189.09067	13.7
195.10170	23.8
214.86176	4.3
237.09094	6.5
265.08533	15.9
279.10223	4.1
283.09576	7.2
284.23282	3.6
285.11026	4.6
297.11078	19.3
311.12793	13.2
317.21002	4.2
337.14166	3.6
404.84915	3.1
479.13324	6.9
479.20547	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	479.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66912	1.6
59.14890	1.8
72.62814	1.6
118.23137	2.0
129.09665	2.0
133.32980	1.9
168.28772	1.7
186.27802	1.8
247.27802	1.9
343.77942	1.7
431.58990	2.0
445.04367	2.0
479.35089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86887	5.1
55.05505	8.5
57.07075	97.1
60.54104	6.0
66.24090	6.4
69.07044	33.4
70.22388	6.0
71.08621	78.4
81.07044	30.7
83.08605	37.4
85.10164	46.4
93.07051	9.6
95.08560	28.4
97.10166	14.6
101.05985	42.7
107.08594	14.6
109.06512	6.9
109.10155	9.8
111.08010	9.4
121.10136	10.2
123.11747	7.9
127.07533	100.0
129.05449	72.8
135.11717	13.3
149.13214	12.2
163.14871	9.4
177.16409	10.2
182.05537	8.1
219.85774	7.0
382.96130	9.0
479.37265	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.1
68.48438	0.7
75.04465	3.9
75.20318	0.7
78.04671	1.0
79.05538	0.8
85.02894	2.8
89.06029	1.3
91.05469	5.3
93.03382	18.2
93.07021	4.6
95.04948	3.6
97.06492	1.1
103.05471	3.1
105.04468	0.7
105.07017	1.0
105.27707	0.8
106.04159	23.2
107.04939	1.2
119.04942	1.2
121.06480	31.9
121.07359	1.2
123.08003	0.9
124.03988	1.0
125.05965	15.3
131.04898	1.7
134.03548	1.7
139.07573	1.3
145.02792	1.5
146.02763	0.8
149.05948	77.4
151.07498	2.0
153.05437	1.6
153.09077	23.1
163.03850	3.6
163.07498	3.1
165.97276	0.8
167.06996	5.1
177.05418	41.6
181.08553	29.2
182.09387	0.9
191.06987	3.2
197.89824	0.9
209.08034	100.0
210.08878	1.8
285.07077	0.8
442.65045	0.9
480.22150	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	480.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02306	1.7
53.92515	1.6
67.05494	2.1
67.25323	1.7
74.65733	2.0
83.04969	8.0
93.07053	3.0
95.08589	3.0
104.10753	2.4
105.06992	3.6
107.08584	4.3
109.06510	2.4
109.10112	3.0
117.87798	1.9
119.08575	8.2
121.10137	2.8
122.02736	3.1
131.08551	3.7
133.10144	8.4
135.08034	12.9
137.06009	2.1
139.11105	2.4
145.10040	2.0
147.08014	22.9
147.11678	2.7
157.10042	2.5
159.11649	4.3
160.07104	2.3
161.09540	4.1
163.11249	2.7
169.10094	2.3
173.13185	21.4
187.11201	3.1
193.06786	2.1
197.13341	2.4
201.12718	3.4
215.14200	3.0
229.15822	2.1
229.19777	1.9
239.17909	4.0
248.15546	3.1
253.19398	8.0
257.19064	7.1
263.17841	8.2
271.20380	2.6
281.18948	30.1
299.19989	100.0
317.21063	16.0
445.17969	2.2
462.23529	4.5
480.24075	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	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08456	0.4
54.24007	0.4
55.01859	0.6
55.13675	0.4
56.53394	0.4
57.07023	0.5
58.06574	0.8
60.08162	9.1
68.70441	0.4
69.07026	1.0
71.07333	1.1
71.68351	0.5
79.05466	0.6
82.76031	0.4
83.08575	1.0
86.09700	31.7
93.07025	0.8
95.08570	0.5
97.10136	0.6
98.06020	2.3
98.98447	0.6
104.10741	80.2
109.10135	0.5
118.91948	0.4
121.10078	1.0
124.99123	0.5
124.99986	12.6
129.05440	1.0
135.11678	0.6
181.02675	0.6
184.07326	89.3
258.10916	0.6
308.29440	100.0
462.29813	5.3
480.30826	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	480.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75480	0.6
58.06602	0.8
60.08157	10.4
62.52698	0.6
64.69724	0.6
69.07056	0.6
71.07352	1.4
80.13538	0.7
83.08611	1.0
86.09688	35.6
92.16805	1.3
93.07014	0.7
104.10727	87.0
111.15292	0.7
117.10073	0.6
121.10077	1.1
124.99971	16.0
165.90929	0.7
181.02539	0.9
181.49309	0.7
184.07297	100.0
287.76627	0.8
288.49820	0.8
326.22910	0.8
462.29807	6.8
480.30774	45.9
480.73813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3078
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.45051	1.3
55.05501	7.0
57.03425	4.0
57.07059	7.1
62.05836	1.8
62.06082	29.2
62.08504	1.5
63.30247	1.5
67.05485	11.3
69.07053	18.3
78.47688	1.4
79.05462	2.3
81.07041	15.6
83.08599	19.2
91.41579	1.8
93.07036	5.9
93.76424	1.6
95.08587	14.5
97.10141	11.0
98.98463	6.5
99.19038	1.6
103.98184	1.5
105.26023	2.0
107.08568	6.1
109.10132	8.6
111.11684	2.3
121.10113	7.8
123.11697	2.1
127.09666	1.7
135.11691	6.5
155.00996	3.2
202.40712	1.6
216.06311	2.1
265.25296	1.7
297.42892	1.9
308.29358	15.3
339.28888	100.0
397.98767	2.1
419.25455	9.1
423.79343	2.0
462.29788	29.1
467.84488	1.8
480.30829	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	481.1119
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
55.63830	1.6
59.22029	1.6
59.47547	1.7
65.03910	7.7
67.21558	1.5
80.72720	2.1
81.10596	2.2
81.86643	2.1
92.16788	2.3
93.03381	2.3
98.17342	1.9
111.04416	2.7
137.05954	10.5
139.03879	11.7
149.05911	2.3
153.01779	19.0
184.11234	1.7
241.04816	4.7
272.06696	2.9
273.07385	4.1
284.06931	2.1
286.04626	4.1
286.08325	2.8
287.05499	4.5
301.06873	2.5
313.07159	3.0
313.89792	2.1
314.07748	42.2
315.04919	11.0
315.08603	36.9
329.06534	4.1
435.07056	26.1
481.11179	100.0
500.84692	2.0
509.75964	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	481.278
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
51.55461	2.0
53.14151	2.0
57.03460	3.2
69.03431	3.7
79.05461	2.8
81.03394	4.5
81.07047	5.7
85.02895	30.8
92.16758	3.4
93.07021	5.6
95.08575	11.4
97.02872	12.8
99.04372	2.9
105.07027	4.0
106.02874	4.2
107.08568	11.4
109.02895	3.0
109.10101	4.0
119.08588	20.5
121.10121	16.5
123.07984	3.2
123.11681	26.9
124.03960	4.5
127.03893	6.1
133.10114	26.6
135.07997	22.1
135.11656	6.5
137.05920	4.2
145.10088	4.5
147.07988	33.9
147.11644	13.3
149.13216	14.0
151.03885	10.2
157.09981	3.1
159.11649	5.1
161.09624	2.5
162.05472	2.7
165.05452	3.0
173.09586	6.3
173.13164	3.3
175.14746	28.8
187.11174	5.4
189.12723	4.5
194.83179	2.9
201.16264	3.2
211.14798	4.5
213.12665	4.9
223.14888	2.7
231.46458	2.8
255.21063	6.1
265.19489	15.2
283.20462	77.1
301.18088	4.1
301.21552	100.0
301.24783	5.5
319.22610	73.1
359.70239	2.6
481.27509	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	481.2794
Annotation	Pharboside B
Peak:m/z	Relative Intensity
55.05523	1.2
57.03418	1.5
61.02916	1.7
63.99355	1.0
67.05490	2.2
67.20866	0.9
69.03413	7.4
69.07048	1.9
71.04961	2.0
73.02936	1.3
79.05507	1.7
81.03421	10.4
81.07056	7.1
83.08612	2.6
85.02901	25.1
87.04441	1.6
90.08469	1.0
91.03977	1.4
91.05451	2.4
93.07022	7.9
95.04942	1.4
95.08606	10.2
97.02855	11.5
97.10165	4.5
99.04462	1.2
105.07031	13.6
105.49513	1.1
107.08595	11.8
109.06503	7.3
109.10137	6.3
119.08565	24.0
121.06484	1.5
121.10121	15.2
123.08075	1.4
123.11696	31.4
127.03880	4.7
131.08539	5.1
133.10121	28.7
135.08051	22.0
135.11676	13.2
137.05969	8.9
137.09595	5.8
137.13254	1.3
143.08496	2.3
145.10121	4.9
147.08034	41.3
147.11662	11.1
149.09633	1.6
149.13249	10.9
157.10150	2.3
159.08023	2.3
159.11673	7.8
161.09598	7.6
161.13222	2.3
163.11166	2.7
171.11624	8.8
173.09639	9.3
173.13266	8.7
175.11137	2.4
175.14804	37.6
183.11659	2.1
185.13264	7.5
187.11180	10.2
187.14798	2.7
189.12643	9.0
195.11720	1.9
199.11214	4.8
199.14761	2.5
209.13220	2.0
211.14867	2.5
213.12727	7.2
223.14876	4.6
225.16411	1.9
227.14276	5.2
229.15849	6.4
237.16264	1.5
239.17821	2.0
241.15747	2.4
255.20992	10.9
265.19531	14.3
270.42099	1.4
283.20544	74.7
295.07748	1.2
301.21588	100.0
319.22635	80.3
320.48999	1.4
433.86600	1.3
481.27979	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	481.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58124	1.5
56.49465	1.4
77.52866	1.6
79.75672	1.5
80.31887	1.9
85.29509	1.7
97.62302	1.8
97.94779	1.8
338.55106	2.3
355.22357	36.6
441.47061	1.9
481.29190	100.0
481.36401	55.4
494.44308	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	481.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51227	0.5
53.45531	0.5
58.31191	0.5
96.17805	0.6
121.10184	0.5
132.64954	0.5
182.39462	0.6
225.04358	0.7
310.46463	0.6
481.36600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52873	0.3
66.81445	0.3
70.06606	0.3
74.70970	0.3
79.05477	0.5
85.02899	0.5
89.28108	0.3
91.05432	2.0
93.03379	0.3
95.04935	0.6
103.05432	0.7
105.07004	10.7
106.04133	0.3
107.04929	1.7
108.05651	0.4
109.06474	0.7
118.04117	2.1
119.04899	2.3
120.05623	0.4
121.06501	2.2
122.07218	0.3
123.08041	2.6
124.05176	0.5
125.05929	0.6
131.04897	1.4
131.15805	0.3
132.05583	0.4
133.06450	12.3
135.04395	1.3
135.08041	2.7
137.05905	4.0
147.04382	1.4
149.05937	5.5
150.06717	6.3
151.07484	5.7
153.09039	0.4
159.04411	0.5
161.05914	2.6
162.77342	0.3
163.03908	2.8
163.07507	1.2
165.09056	12.7
167.06976	12.6
177.05411	6.7
178.06197	0.6
179.06996	3.4
180.07808	0.4
181.08513	1.8
182.09267	0.6
191.07037	0.4
193.08548	100.0
195.06461	0.3
209.08008	12.3
210.08861	0.4
211.09584	88.7
212.57768	0.4
371.14749	1.2
391.17429	0.6
403.17407	0.5
482.23682	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	482.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.6
59.75272	0.9
62.91118	0.8
67.05506	1.8
67.64301	0.7
69.07055	2.1
75.21411	0.8
77.02081	0.9
79.05482	3.3
79.05906	0.8
81.03400	5.2
81.07059	10.5
83.04944	0.9
83.08620	1.0
84.04492	1.2
91.05460	2.0
93.07034	6.9
95.04947	1.0
95.08582	11.2
96.04363	0.8
97.10154	3.2
105.07014	11.3
107.08584	14.1
109.06483	5.4
109.10135	5.2
119.08561	21.5
120.35007	0.9
121.06500	1.3
121.10133	43.3
123.08054	1.5
123.11691	33.3
130.04985	5.0
131.08543	4.6
133.10124	24.5
135.08046	22.4
135.11685	12.4
137.05952	4.8
137.09592	2.0
138.06279	1.2
141.01869	1.0
143.08556	2.0
145.06415	1.1
145.10106	14.7
147.06863	1.7
147.08034	43.3
147.11662	9.2
149.09590	3.3
149.13220	9.2
157.10101	4.4
159.08026	5.1
159.11655	5.5
161.09615	12.2
161.13214	7.5
163.11180	7.0
164.03955	1.0
169.10114	1.2
171.11642	5.8
173.09586	9.9
173.13139	6.5
175.11174	1.5
175.14789	27.1
177.12747	1.1
181.10016	1.2
183.11690	3.5
185.09610	1.7
185.13261	5.9
187.11192	10.8
187.14926	1.2
189.12717	6.5
195.11691	5.4
197.13173	1.6
199.11169	5.7
199.14827	4.1
201.12804	2.0
201.16501	3.1
209.13235	5.1
211.14862	1.3
213.12712	7.6
213.16315	1.1
215.14302	1.1
223.14807	5.0
225.16238	1.9
227.14302	5.3
229.15797	1.9
235.87846	0.9
237.16367	1.4
239.17903	3.9
241.15814	1.2
245.19009	1.4
255.21095	5.2
265.19406	19.9
283.20538	85.7
301.21582	100.0
306.92889	1.0
319.22580	16.8
359.43732	1.0
446.23578	5.2
464.24539	13.8
482.25742	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	482.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56782	1.1
60.08158	10.2
69.07054	1.9
81.07029	1.3
83.67854	1.2
86.09689	32.0
101.79662	1.2
104.10725	88.6
109.10125	1.4
118.24271	1.1
124.99964	14.6
129.05431	2.4
132.83363	1.0
147.58662	1.3
177.00847	1.7
184.07301	100.0
193.99962	10.0
195.01877	2.6
197.18971	6.4
205.00366	5.5
235.03531	1.1
274.89395	1.2
283.92175	35.5
301.93225	1.7
309.37314	1.0
363.57230	1.2
432.55661	1.2
450.93539	13.9
459.02570	1.4
464.28162	1.4
482.28650	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	482.3236
Annotation	LysoPE(0:0/18:0)
Peak:m/z	Relative Intensity
51.04776	0.1
51.61771	0.1
54.43512	0.1
55.05511	0.2
55.81258	0.1
56.05028	0.3
57.07075	2.5
57.66296	0.1
58.06590	3.4
60.04506	0.2
60.08160	10.7
60.17636	0.2
65.78633	0.1
67.05482	0.4
69.07048	0.7
71.07357	2.2
71.08624	2.0
78.60292	0.2
81.07063	0.8
83.08605	0.4
85.10165	1.4
86.09693	35.3
89.06020	0.2
95.08609	1.6
97.10174	0.3
98.98444	0.4
103.07521	0.2
104.10731	84.6
109.10153	0.9
113.55537	0.2
123.11711	0.2
124.99982	13.9
131.00764	0.2
141.63698	0.2
157.10347	0.2
163.01559	1.1
184.07314	100.0
193.43433	0.2
199.03679	0.2
258.11026	0.8
299.25760	2.8
405.23895	0.2
464.31320	5.0
482.32361	52.8
495.94025	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	482.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70079	1.2
55.05495	2.2
55.37439	1.7
56.42020	1.4
57.03425	15.1
57.06791	2.5
57.07068	55.8
62.06071	3.4
65.48316	1.5
67.05489	9.8
68.85651	1.2
69.07050	15.2
71.08617	49.7
71.72967	1.5
72.08144	83.7
77.20074	1.3
81.07043	20.0
83.08614	17.3
85.10173	27.0
89.06011	3.2
95.08582	27.5
97.10148	7.5
99.11749	1.9
103.07589	2.1
107.08570	2.5
109.10146	18.9
121.10113	2.4
123.11684	3.0
131.30307	1.6
135.11626	3.2
147.41794	1.6
170.05727	86.0
170.07162	3.2
184.07295	1.9
213.94058	2.1
215.95680	3.4
239.23819	1.7
257.24713	3.4
262.97205	1.6
264.93729	2.0
271.98199	3.8
277.73529	1.9
313.27295	100.0
482.31940	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	482.3238
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05503	2.3
57.03424	7.8
57.07069	37.0
67.05486	4.1
69.07048	7.1
71.08619	30.5
77.16177	1.6
81.07045	10.5
83.08604	10.6
85.10171	21.6
89.06005	3.0
95.08596	19.6
97.10148	4.0
109.10143	9.4
189.91878	1.9
234.67188	2.1
310.30997	3.2
341.30453	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	482.3238
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
50.37743	1.4
53.46973	1.3
57.03437	1.8
57.06806	2.6
57.07071	46.6
62.06087	24.6
67.05488	3.5
67.22641	1.3
67.36104	1.4
68.80897	1.4
69.07060	7.4
71.08617	37.5
73.46214	1.4
81.07044	10.6
83.08607	6.7
85.10168	23.6
85.50405	1.4
88.85666	1.4
89.06017	33.2
95.08607	14.0
97.10177	6.8
98.98471	2.3
109.10149	6.8
111.11755	2.7
123.11652	3.0
133.08571	7.6
155.01045	8.0
283.17490	9.9
310.30954	20.3
341.30472	100.0
421.27069	9.1
464.31345	26.1
465.37933	25.6
482.32184	30.2
482.38931	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	482.3239
Annotation	LysoPE(0:0/18:0)
Peak:m/z	Relative Intensity
51.56712	0.2
51.61566	0.2
55.05504	0.4
56.05027	0.6
56.33704	0.2
57.03438	0.5
57.05815	0.5
57.07084	4.2
61.47390	0.2
63.66732	0.3
67.05511	0.6
69.07066	1.2
70.06578	2.4
70.59744	0.2
71.08636	3.9
72.08149	100.0
80.71154	0.3
81.07054	1.4
83.08624	1.3
85.10182	2.9
88.93378	0.3
90.09170	3.8
92.16740	0.6
95.08602	2.3
97.10175	0.6
99.11718	0.3
104.10693	0.4
109.10173	1.4
123.11690	0.5
170.05757	4.8
252.66963	0.3
313.27322	17.3
327.03278	0.3
347.30658	0.3
464.31433	6.4
482.32388	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	482.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47612	1.0
53.03952	1.0
55.05510	2.2
55.27858	0.9
57.03443	1.8
57.07077	51.7
60.30911	0.9
61.02899	1.2
62.00095	0.9
64.64346	0.9
67.05505	11.0
69.03436	10.3
69.07072	14.4
71.08628	54.2
71.62167	1.0
81.03410	7.1
81.03832	0.9
81.07056	27.0
83.08205	1.0
83.08602	9.1
85.02905	16.5
85.10175	33.9
91.03965	1.4
95.08599	49.4
97.02887	12.3
97.10160	10.0
99.04440	1.8
99.11738	1.3
104.10752	1.5
109.02888	5.2
109.10144	23.3
111.11706	7.0
123.11698	11.4
127.03896	10.7
137.13264	5.8
145.04962	4.0
151.14890	1.1
211.20549	20.0
229.21646	2.3
283.17566	1.4
285.24265	19.8
303.25241	15.6
355.24667	13.4
373.25809	100.0
381.94421	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	483.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	2.0
54.83554	1.5
55.01857	1.8
55.05521	18.8
57.07076	21.0
57.51730	1.9
62.28112	2.0
64.27547	1.7
67.05515	14.4
69.04541	19.3
69.07073	7.9
71.08626	19.2
75.51207	1.8
77.64793	1.9
79.05508	4.6
81.07041	11.0
83.08617	22.4
85.10173	9.3
87.05591	2.1
89.06014	4.0
95.08607	11.7
96.96584	1.9
97.10172	50.3
107.08580	11.0
109.10181	4.5
111.08101	2.1
120.96173	1.9
125.09621	31.7
135.08057	2.4
151.06915	1.9
159.85898	2.2
172.24841	1.9
187.55438	2.0
189.11230	5.0
227.12810	3.3
483.36862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32894	2.7
55.05518	22.0
57.07074	36.4
62.71088	2.6
67.05508	6.2
69.04568	4.0
69.07068	6.0
71.08626	26.5
72.16310	3.8
79.05499	3.7
81.07062	13.4
83.08617	26.1
85.10181	12.4
92.91878	2.9
95.08614	21.1
97.10162	51.2
107.08607	15.4
109.10162	7.0
111.08099	3.2
125.09608	28.1
174.66573	3.2
182.53426	3.1
189.11302	4.6
342.31033	5.5
387.31378	3.5
483.36752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	3.0
60.08154	9.9
62.52405	0.5
71.07353	0.8
79.01007	0.4
83.08605	0.7
86.09686	34.0
93.50803	0.5
104.10723	100.0
117.05471	4.2
124.99973	16.6
184.07300	92.3
448.28183	2.7
466.29376	1.2
484.30255	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84561	0.4
51.92670	0.4
54.89223	0.4
57.65710	0.5
58.06575	0.9
60.07912	0.5
60.08158	9.5
67.05479	0.7
69.07045	2.0
71.07348	2.2
72.64312	0.4
81.07050	0.7
83.08612	0.8
86.09692	33.7
90.32626	0.5
97.06524	0.7
97.10053	0.5
104.10731	92.5
121.10146	0.8
124.99982	18.6
129.05453	0.7
135.11653	0.8
147.90651	0.6
181.02544	0.9
184.07310	100.0
191.17928	0.6
223.07681	0.5
240.09938	0.9
258.10992	10.7
258.51151	0.7
283.22559	1.2
376.34253	0.6
466.29309	7.9
484.30264	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	485.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	2.9
58.89334	2.6
69.03407	3.6
81.07045	6.9
83.08597	2.7
85.02887	38.1
93.07011	5.3
95.08572	15.1
97.02876	13.6
105.06989	12.4
107.08567	14.1
109.02863	4.0
109.06498	13.2
109.10111	11.5
119.08553	12.4
121.06457	4.9
121.10092	16.9
123.11674	28.7
127.03890	5.5
131.08513	4.6
133.10086	51.3
135.08047	6.5
135.11662	18.3
137.09590	4.6
145.10069	3.8
147.08017	3.8
147.11659	13.9
149.09618	3.3
149.13266	12.5
151.07468	4.7
157.10092	3.7
159.11627	7.5
161.09654	3.1
161.13193	3.6
165.96906	2.6
171.11601	5.5
173.09537	3.3
173.13193	4.2
175.14732	34.3
179.10689	3.7
185.13246	7.0
187.14796	5.5
193.12198	11.4
196.25485	3.6
197.13216	3.3
199.11131	4.4
199.14804	4.6
199.38597	3.3
201.12740	4.7
225.16455	5.6
227.14288	4.1
239.17856	4.4
241.19398	23.2
251.17883	5.8
259.20337	4.1
269.18945	34.5
287.19968	75.9
305.21014	77.3
323.22098	100.0
485.27408	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	486.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48859	3.3
184.15695	3.6
198.98448	28.7
200.39325	3.6
216.99507	4.8
264.99557	8.0
272.63785	3.4
283.00110	39.2
284.00021	63.0
301.01151	42.9
302.01123	84.5
320.02371	3.7
401.01361	6.8
402.01132	4.5
416.08688	3.7
426.01093	36.6
444.02264	100.0
445.05811	6.5
463.06708	4.8
468.02209	16.9
486.03125	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	486.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93505	5.1
59.21123	3.0
59.54673	2.6
65.37169	2.9
68.16281	3.0
79.03060	3.5
86.83727	3.5
87.92992	3.6
94.78972	3.3
105.03369	100.0
112.18629	3.1
123.04399	6.9
149.96069	7.2
161.53696	4.0
175.97650	4.0
179.06993	74.8
181.96663	6.9
187.97652	4.3
199.97641	5.4
207.06509	14.6
209.99687	5.4
211.97643	6.4
212.98335	24.3
221.99670	4.1
229.98671	6.2
236.98553	3.9
237.99185	62.1
253.98602	34.0
254.99696	4.1
256.00259	43.3
265.98538	5.0
268.00250	28.8
271.99783	5.6
278.99536	4.0
297.91446	3.6
299.79285	4.1
310.01251	35.3
364.02185	5.1
369.99191	3.8
400.47519	4.5
408.01291	50.8
426.02551	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06472	2.6
52.60033	2.6
55.01866	16.2
56.69643	2.5
58.99581	4.2
67.05328	2.6
69.63920	2.8
70.30324	2.8
76.02219	48.6
84.04492	7.5
85.02890	2.7
109.02857	13.8
116.01640	5.2
119.04922	7.0
123.13233	3.1
124.03894	3.6
127.03915	7.3
129.06593	3.5
130.04938	4.0
144.01131	7.4
147.04385	46.4
155.01573	11.9
162.02153	34.1
169.03143	31.9
179.04790	44.8
179.06996	66.2
187.05431	5.3
209.06320	3.5
211.04199	100.0
233.05885	23.6
237.99098	5.5
258.53656	3.6
339.09952	17.0
357.11115	44.6
411.12250	13.0
486.15277	22.7
488.76340	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	486.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66317	0.9
57.03445	1.6
69.03417	5.4
70.04072	100.0
78.89726	1.0
80.81801	1.0
81.07067	1.0
85.02898	14.5
87.04442	1.2
97.02876	2.4
100.58970	1.2
109.02840	2.4
125.01521	9.7
127.03946	1.5
151.03111	8.9
165.04671	2.5
179.06203	7.2
181.04248	1.4
306.13550	5.2
324.14682	38.8
328.27823	1.4
339.52231	1.2
486.19971	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	486.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85712	2.0
55.01859	2.5
57.07068	2.6
65.49277	2.4
65.52026	2.1
67.05491	3.1
69.03413	5.5
69.07058	5.3
71.04983	3.0
72.04519	23.1
73.02905	11.4
81.03415	16.2
83.05000	3.9
85.02918	20.2
85.06552	3.0
86.09700	3.7
87.04426	2.5
90.05547	58.7
95.04965	4.1
97.02896	12.6
98.02425	5.9
99.04444	10.7
100.03947	5.5
100.23844	2.3
103.03982	3.2
103.07625	3.4
105.14985	2.4
109.02863	41.9
113.06046	2.9
114.75381	2.4
116.03445	40.5
120.08080	3.1
124.07579	16.7
125.09707	2.6
127.03910	46.4
127.07600	3.6
128.14073	2.4
131.07005	2.7
132.06578	22.0
138.05492	3.2
142.08623	23.7
144.53102	2.5
145.04977	11.8
145.08618	3.0
156.10144	3.9
160.09656	10.9
166.08572	10.9
172.09711	3.6
174.11266	10.7
184.09705	53.8
187.06055	3.2
188.03459	4.1
198.07574	4.7
199.06062	9.5
202.10727	100.0
211.09673	9.4
216.08696	3.0
220.11725	19.8
234.09752	11.7
262.12860	5.9
285.23877	2.5
328.13916	67.5
346.14941	23.9
364.15982	98.9
366.10861	3.0
468.20810	4.8
486.12875	10.4
486.21573	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	487.1743
Annotation	GEMICHALCONE B
Peak:m/z	Relative Intensity
55.26790	0.6
55.75077	0.5
56.65015	0.5
57.01793	0.5
61.05344	0.6
74.64112	0.7
90.94315	0.7
91.05447	4.3
109.13851	0.7
119.04907	20.8
127.77495	0.7
131.24171	0.8
135.11575	1.0
138.46628	0.8
147.04378	100.0
149.09717	1.0
231.07997	1.3
239.98534	0.8
248.08311	1.1
263.10699	5.4
276.07758	3.1
277.08456	0.9
291.10129	15.6
293.08060	0.9
311.53024	0.8
323.12738	11.7
337.31992	0.7
365.00073	0.9
374.86545	0.9
510.53757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38483	0.9
59.10946	1.0
59.99736	1.0
63.87200	1.0
87.27411	1.2
90.53609	1.2
91.05450	1.5
91.66273	1.3
94.04171	1.2
98.66215	1.2
105.06997	2.5
109.06513	2.4
113.26586	1.1
119.04882	2.6
122.03575	2.7
126.43333	1.1
133.06494	2.4
137.05943	100.0
146.03532	1.5
147.04382	24.9
161.05917	35.2
163.42482	1.4
179.45671	1.2
184.05205	1.8
187.07478	2.0
199.07484	16.5
202.07611	1.5
203.08522	9.4
220.08818	2.5
231.07962	23.0
232.08702	4.5
235.11107	1.4
248.08266	12.2
256.29205	1.2
259.07462	18.0
260.08240	13.0
261.97397	1.2
263.10580	12.4
268.62860	1.4
275.06903	1.9
276.07733	12.2
277.08594	2.3
280.10193	1.2
291.10071	50.8
292.10831	5.1
293.08008	1.5
295.13431	1.7
308.10300	1.7
313.19205	1.3
323.12646	32.4
407.55930	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	487.1747
Annotation	GEMICHALCONE B
Peak:m/z	Relative Intensity
62.19712	0.5
63.35357	0.5
89.48987	0.5
91.05463	5.1
95.08607	0.7
100.65377	0.5
107.04952	0.5
109.50774	0.6
116.03776	0.5
119.04913	19.5
137.05933	0.7
147.04381	100.0
151.11028	0.5
168.35861	0.6
171.07944	0.8
196.45061	0.5
199.07463	0.6
203.08504	0.8
231.07954	2.5
232.08830	0.7
248.08369	2.1
263.10510	3.6
276.07706	2.3
291.10080	16.3
292.10916	0.6
293.07999	1.1
294.91315	0.5
307.09573	0.6
309.11359	0.6
323.12720	10.7
325.10931	0.9
383.37167	0.5
487.16678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15347	1.0
90.44247	1.3
91.05472	2.6
97.06495	1.7
102.25233	1.5
103.05416	1.6
105.07009	6.2
119.04897	18.5
131.04919	8.0
133.06464	2.8
137.05966	6.0
146.07292	9.3
147.04395	100.0
161.05951	7.7
162.06799	1.4
175.07597	1.6
178.06134	1.3
199.07553	6.0
219.49054	1.5
231.07999	3.0
259.07446	2.6
260.08459	1.7
276.07767	1.7
291.10107	11.1
400.24118	1.4
426.02759	1.5
446.16837	1.5
446.23532	1.5
455.15042	11.3
482.83020	1.5
487.30014	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	489.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28753	2.1
52.80313	2.1
56.95557	2.5
58.36195	2.2
60.62313	2.1
65.27020	2.3
67.63588	2.2
91.05450	3.6
96.33360	2.3
105.07019	3.7
107.04932	5.4
119.08570	3.6
122.03632	3.0
129.07054	3.6
131.04855	3.6
137.05945	100.0
147.07974	10.1
151.03889	4.0
159.07974	4.0
161.05913	15.8
172.05130	5.2
175.07491	48.9
177.05412	6.2
184.48538	2.8
187.07484	24.7
219.41649	2.9
221.06000	4.7
225.09026	6.5
227.06960	3.1
232.11186	3.0
253.08514	4.8
265.08536	4.1
266.09464	3.3
267.10159	13.6
271.07486	3.4
275.10452	3.0
277.08463	3.3
285.11087	18.3
297.11206	10.0
309.10852	11.8
323.12567	3.0
327.12201	4.2
335.12656	3.6
370.47980	2.9
375.72690	3.1
439.15198	4.3
459.18054	19.7
471.17786	17.0
484.65350	3.2
489.18439	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	490.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	7.3
71.44163	1.1
77.72218	1.4
81.03391	6.6
84.04479	26.0
85.02880	3.0
86.09682	3.0
91.45583	1.2
97.02869	2.3
99.04425	2.3
102.05515	17.7
108.02372	1.1
109.02849	7.9
115.03823	1.4
120.04427	2.4
127.03879	9.4
130.04971	25.5
132.04428	4.6
136.64520	1.1
147.04370	7.0
148.05994	42.8
150.05508	1.5
162.05443	100.0
164.03366	16.9
165.05376	2.8
177.05489	1.5
184.15616	1.3
188.03358	83.8
206.04436	11.1
224.05519	10.2
297.67090	1.4
330.88666	1.3
332.07578	11.3
343.11453	2.1
350.08618	15.1
368.09641	7.0
510.92459	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	490.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78902	0.3
56.05031	1.3
65.58574	0.3
74.02446	0.3
84.04501	52.3
84.08141	0.3
85.02898	1.3
102.05538	32.3
106.65645	0.2
121.65415	0.3
127.03954	0.3
130.04993	55.9
131.03400	0.3
147.07619	0.3
148.06039	100.0
162.05469	1.3
177.05449	0.4
188.03404	0.4
279.99515	0.3
317.85596	0.3
319.58762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52929	3.0
63.47757	3.7
73.91351	3.5
80.54852	3.3
82.00490	3.7
102.04703	6.2
103.05453	8.5
105.07031	6.5
130.04123	7.7
131.04935	27.6
133.06461	8.5
137.06001	5.9
139.04964	4.0
147.04388	15.6
153.01799	63.7
161.05986	25.2
162.06740	34.6
179.44725	4.1
180.05199	4.6
213.05423	9.3
241.04889	45.0
255.06505	9.1
256.07224	5.0
265.21030	3.8
269.04337	6.7
273.07532	23.1
284.06564	32.3
286.04651	28.2
299.05466	20.1
301.07019	16.3
311.05652	4.5
313.07025	21.5
314.04370	7.4
314.07706	46.9
328.05746	5.5
329.06525	60.3
331.08047	15.0
459.10672	100.0
491.13351	85.3
491.29510	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1762
Annotation	Erythroxyloside B
Peak:m/z	Relative Intensity
51.92006	0.8
52.62878	0.8
57.03436	2.0
60.79105	1.0
61.58952	1.1
71.04987	20.4
85.02898	21.3
106.02930	1.5
124.03939	1.7
129.05478	4.8
137.05978	1.7
159.34189	1.1
165.05420	16.9
179.03355	1.1
183.06497	100.0
251.55669	1.1
279.11212	1.3
329.11826	1.3
345.11740	15.1
429.16284	3.8
491.16235	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	491.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61181	1.7
52.92672	2.0
55.01871	2.5
55.44289	2.0
73.75625	1.8
76.14213	2.1
85.02865	3.1
87.05572	4.5
87.23420	2.1
88.27541	2.4
91.05463	29.1
93.07030	2.2
102.43179	2.1
105.03382	14.0
105.07006	3.8
106.13358	2.3
108.97469	2.3
109.06516	18.6
119.04924	100.0
119.05772	3.7
120.77550	2.1
121.06465	4.8
123.08025	5.5
128.92514	2.1
131.04955	3.4
133.06381	11.3
135.07976	4.3
137.05949	76.6
147.04375	34.1
149.05945	12.6
151.07536	53.4
154.84056	2.7
158.51456	2.4
159.72902	2.3
161.05917	24.8
162.06743	12.8
175.07524	17.1
178.34862	2.7
179.07045	32.1
187.07550	9.8
193.08577	2.8
195.53525	2.2
205.08607	13.8
235.09647	4.9
251.10609	2.9
279.09973	3.7
309.11124	17.1
311.12827	10.1
329.13843	4.5
341.13815	9.5
359.14676	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	491.2988
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
54.09595	0.2
62.98686	0.3
68.92366	0.3
72.08148	4.0
83.06849	0.3
85.02869	0.4
99.92317	0.3
108.08453	0.3
136.07536	0.7
162.05525	0.6
163.05804	0.5
165.05446	0.5
183.06548	2.9
183.11273	0.3
186.72261	0.3
234.51422	0.3
257.16199	1.9
281.15125	0.5
298.21622	0.3
316.83914	0.3
323.18695	0.3
372.61581	0.4
420.97427	0.3
487.30731	0.3
491.29889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.1
66.95809	0.6
66.96925	0.6
69.03442	0.9
71.01343	1.6
73.02906	1.7
85.02884	7.9
91.05466	39.7
95.01308	1.0
101.02364	1.1
106.02904	8.8
113.02353	4.6
124.03928	100.0
131.03339	1.3
137.05978	1.0
140.87482	0.9
141.01826	1.7
142.31863	0.8
165.59346	0.8
180.06538	7.1
193.08572	16.6
198.07530	8.4
218.67126	0.7
219.33937	0.8
297.67072	0.8
316.11728	23.8
369.11597	3.1
492.14780	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	492.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	25.9
61.01145	7.1
68.04398	0.6
68.61210	0.6
73.07961	0.6
74.02416	0.9
74.06065	1.4
75.82731	0.5
78.48068	0.6
84.04481	3.0
85.02886	0.9
87.02670	2.4
102.05530	14.4
104.05318	65.4
107.46857	0.7
123.04367	0.8
127.03893	1.2
130.04999	0.8
133.03169	59.2
136.07568	1.1
148.06015	1.5
150.05815	100.0
152.03062	0.6
165.05423	1.0
175.16887	0.7
182.08089	2.6
212.11005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.6
60.07864	0.6
60.08153	12.0
67.02689	0.3
67.05482	2.5
69.07046	1.6
71.07358	2.6
73.32493	0.4
80.58702	0.3
81.07025	3.1
86.09686	36.5
91.05464	0.4
93.06998	0.6
95.08585	0.9
104.10722	90.0
107.27625	0.4
112.84201	0.4
115.82598	0.3
119.08510	0.5
124.99973	16.4
128.72493	0.4
131.47534	0.5
133.10043	0.5
150.51065	0.4
163.01447	0.8
163.21758	0.4
167.49266	0.4
181.02464	0.4
184.07297	100.0
199.52045	0.4
206.31033	0.4
214.07013	0.4
255.30608	0.5
309.24182	2.2
474.29880	4.8
492.30722	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	492.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.7
56.05019	1.0
57.03433	1.0
58.06598	100.0
63.24805	0.6
66.17563	0.7
66.22688	0.6
67.05499	7.6
69.07054	4.4
69.24738	0.6
76.07632	5.9
79.05473	1.5
81.07058	11.0
83.08599	3.7
91.05462	1.4
93.07015	3.9
95.08589	9.6
97.06502	1.3
97.10102	0.9
105.07014	0.9
107.08582	1.8
109.10142	5.2
109.11552	0.7
112.99999	20.1
119.08536	1.6
121.10114	3.1
123.11667	0.9
133.10088	1.7
149.13148	0.9
156.04231	0.7
169.02580	25.5
169.03920	1.5
187.03590	1.0
230.07870	1.0
245.22552	0.9
263.23706	1.5
337.27304	24.4
431.25500	3.5
474.29553	4.8
492.30814	22.8
492.37802	1.3
501.71417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1337
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.29568	0.1
52.77176	0.0
54.08677	0.1
56.23890	0.1
58.24002	0.1
64.97771	0.1
69.58485	0.1
72.33523	0.1
85.02883	0.1
87.34649	0.1
88.38519	0.1
92.75573	0.1
98.64176	0.1
163.50677	0.1
270.05182	2.8
286.04663	0.4
287.05444	0.7
298.04681	0.2
299.05209	0.1
301.03531	0.3
302.04099	0.2
315.04938	9.8
316.01929	0.1
316.05728	5.4
331.08078	100.0
493.13367	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	493.1336
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.81015	0.4
57.10892	0.4
61.62469	0.4
74.60860	0.4
86.08926	0.5
97.22836	0.4
102.79731	0.5
103.27119	0.6
105.27193	0.5
124.13310	0.5
177.05438	0.6
270.05185	2.6
296.32608	0.5
315.04898	7.7
316.05716	4.7
331.08063	100.0
354.96872	0.5
493.13199	6.8
493.19434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1337
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.51036	0.0
51.52537	0.0
53.03948	0.1
55.01862	0.1
57.03425	0.1
61.02909	0.3
61.16916	0.1
65.02627	0.1
66.00374	0.1
69.03429	0.7
71.04984	0.1
73.02893	0.1
74.61831	0.1
76.86423	0.1
81.03416	0.3
82.48803	0.1
85.02398	0.1
85.02893	2.7
87.04450	0.1
97.02871	1.0
99.04414	0.1
102.02100	0.1
109.02835	0.2
112.50915	0.1
127.03870	0.3
145.04984	0.1
153.01831	0.1
165.05467	0.1
178.02574	0.2
183.06563	0.3
184.06786	0.1
185.07158	0.1
203.03465	0.1
205.93729	0.1
219.65582	0.1
265.82535	0.1
270.05173	3.6
273.03857	0.1
286.04742	0.4
287.05499	1.0
298.04645	0.1
299.05524	0.1
301.03357	0.3
302.04181	0.5
315.04929	10.8
316.05725	5.5
316.09470	0.1
331.08072	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	493.28
Annotation	Mucronine B
Peak:m/z	Relative Intensity
54.81339	0.7
55.05482	1.3
61.59111	0.8
61.94047	0.9
72.08139	47.2
86.09681	3.5
104.10726	2.3
120.08075	100.0
171.14851	12.8
174.12759	4.2
184.07315	3.9
199.14380	3.8
209.62192	0.9
219.14856	30.6
222.12694	1.1
247.14279	8.5
267.14798	9.9
295.14496	4.2
340.44135	1.1
346.21216	10.8
394.21222	10.4
406.00455	1.1
465.28629	7.7
493.28403	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	493.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.6
54.82726	0.7
55.05512	16.7
55.18769	0.6
57.03440	11.9
57.07081	8.5
62.98249	0.7
67.05158	1.0
67.05502	20.6
69.07065	34.9
71.05001	1.1
71.08636	6.5
79.05495	7.1
80.53785	0.7
81.07054	26.5
83.08617	26.9
85.10175	1.4
93.07040	11.5
95.08599	28.2
97.06532	3.5
97.10159	17.1
98.98460	45.3
99.08109	1.4
102.07621	0.6
107.08602	6.8
109.10152	13.4
111.08078	3.1
111.11708	5.7
121.10134	16.4
122.14450	0.6
123.11688	3.4
135.11674	8.4
136.99974	7.3
137.13211	0.7
139.11212	0.7
149.13286	4.4
155.01033	63.5
156.95174	0.7
156.96368	3.9
163.14725	0.6
165.16444	0.7
171.59804	0.7
211.03656	1.0
229.04688	1.4
247.24289	1.2
265.25293	6.1
315.18381	0.8
339.28912	100.0
419.25592	1.3
461.20218	1.3
475.28244	34.0
493.22940	3.8
493.32224	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	493.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44453	1.8
55.05500	4.3
57.03431	4.0
57.06791	3.9
57.07069	77.4
60.54231	1.7
61.46764	2.1
67.05495	16.2
69.07065	16.7
71.08620	71.7
78.61764	2.0
81.07054	34.2
83.08595	21.9
85.10169	44.8
86.49050	2.3
90.93489	2.3
95.08589	54.0
96.06622	2.1
97.10156	14.5
109.10126	26.4
113.00030	3.1
123.11661	12.7
137.05995	9.8
137.13243	3.8
138.06334	2.7
143.41673	2.2
164.79794	2.0
180.01022	2.3
202.51930	2.6
229.00581	5.0
232.70789	2.1
239.23625	25.6
247.46208	2.5
257.24722	2.6
276.30661	2.4
298.18503	2.7
313.27271	100.0
314.21042	8.7
315.21371	24.1
331.28314	30.0
493.30652	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	493.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.3
55.05506	9.4
57.03421	6.6
57.07069	100.0
61.02896	1.6
67.05498	24.9
69.03410	14.0
69.07053	24.9
71.04984	2.5
71.08616	93.6
71.96581	1.1
79.05455	1.3
81.03412	13.6
81.07040	42.2
82.90105	1.5
83.08602	29.1
85.02889	18.7
85.10166	57.9
85.88794	1.2
89.05996	1.3
89.78090	1.2
93.07007	1.6
93.09918	1.6
95.08583	71.1
97.02858	14.1
97.10138	18.2
99.04438	8.5
99.11674	1.8
107.08582	1.9
109.02843	13.6
109.10136	30.9
111.11678	2.4
111.47217	1.3
123.11660	16.5
127.03892	19.3
133.10037	1.6
137.13229	5.8
145.04926	7.9
151.14798	1.4
214.20517	1.5
221.22397	1.7
239.23613	33.9
257.24707	5.4
283.64850	1.5
304.26187	1.3
313.27298	41.0
329.26807	1.8
331.28397	6.8
358.92166	1.4
383.27841	28.8
401.28873	68.5
479.87564	1.5
499.80353	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	494.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35426	0.5
55.09953	0.5
57.03426	1.2
61.02901	2.9
65.34710	0.5
67.05473	0.9
69.03416	4.4
71.04992	0.6
73.02920	1.0
74.82190	0.5
81.03398	2.7
85.02874	18.0
87.04412	1.1
91.03910	1.0
97.02853	6.6
99.04449	2.4
106.06515	5.9
108.08086	82.6
109.02862	3.2
123.04362	1.3
123.06790	1.4
124.07551	7.3
127.03892	6.1
134.05968	10.2
136.06599	0.8
136.07530	23.9
145.04929	1.1
150.05641	0.8
152.07019	100.0
154.08594	2.5
162.05377	0.7
164.07002	0.6
165.05429	2.9
170.08047	34.3
182.08104	3.0
188.03401	1.2
235.65201	0.6
314.12216	22.5
314.15884	0.8
332.13251	18.0
476.17422	2.7
494.18564	84.4
503.61423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2874
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
55.05507	26.7
57.03427	5.8
60.09449	5.9
62.06091	41.3
63.17289	5.8
67.05505	59.5
69.07048	33.3
79.05494	14.0
81.07055	60.8
83.08601	26.4
87.31899	8.2
92.72417	5.6
93.07024	44.3
95.08616	49.7
98.98448	33.9
105.07027	10.6
107.08579	15.2
109.10162	48.2
117.06989	7.8
135.11688	30.1
141.37517	7.1
145.10175	6.9
155.00961	12.3
171.69215	6.8
173.02095	9.1
204.23778	7.6
243.21121	7.6
260.69370	8.4
279.23245	12.1
335.25809	25.7
352.15140	7.1
353.26859	100.0
410.97449	7.2
415.22296	14.2
433.23541	67.9
476.27924	49.1
494.28970	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	494.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42638	0.9
55.05511	9.5
57.03437	8.8
57.07080	10.2
60.08154	7.3
67.05500	11.4
69.07062	25.0
71.08618	6.8
79.05479	4.8
81.07046	20.0
83.08616	20.9
85.10175	1.9
86.09701	21.8
93.07023	8.6
95.08588	20.6
95.11613	1.0
97.06539	2.6
97.10167	15.5
100.07579	1.1
104.10732	53.7
107.08579	7.1
109.10161	12.4
109.96033	1.1
111.08047	2.3
111.11694	2.7
112.99990	26.9
121.10144	11.2
123.11701	1.9
125.00014	13.0
125.09616	1.4
126.17294	1.0
135.11673	7.2
139.11169	1.3
147.11687	1.2
149.13235	4.5
169.02600	17.4
184.07312	62.1
187.03642	1.7
216.41826	1.2
230.90433	1.2
251.25620	1.5
265.25104	1.2
339.28903	100.0
433.27438	9.5
476.31543	1.7
494.25641	2.0
494.32327	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	494.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25382	0.6
55.05511	1.6
55.94783	0.6
57.03433	1.4
57.07057	1.3
58.06575	0.7
60.07948	0.6
60.08163	10.4
67.05491	5.0
69.07057	5.0
71.07357	1.2
71.08649	0.9
79.05502	1.1
81.07044	6.7
83.08579	5.7
85.10164	1.0
86.09695	40.4
87.96643	0.7
93.07042	3.5
95.08585	6.7
97.10168	3.8
98.98450	4.6
100.90822	0.7
104.10732	83.1
107.08566	1.1
108.51952	0.7
109.10149	1.7
117.71555	0.7
120.55394	0.7
121.10133	3.1
123.11715	0.7
124.99986	16.7
135.11685	1.6
136.99924	1.2
155.00992	5.2
167.52502	0.8
184.07310	100.0
280.21024	0.8
335.25903	3.2
339.28177	1.7
340.29257	6.3
353.26868	4.5
423.46429	0.9
463.50204	1.0
476.29041	3.4
494.32431	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3234
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
51.75968	0.6
55.05501	4.9
56.08353	0.9
57.03437	2.0
57.07068	3.7
58.80316	0.8
59.87600	0.7
60.08165	12.6
67.05512	6.5
67.79034	1.0
68.84444	0.7
69.07054	11.0
71.07363	1.5
71.08624	1.2
79.05500	1.4
81.07038	9.8
83.08620	8.4
86.09698	37.1
92.17418	1.9
93.07023	4.9
95.08606	9.4
95.20395	0.8
95.37100	0.8
97.06535	1.8
97.10181	7.1
98.98499	1.0
104.10738	77.0
107.08616	4.7
109.10151	5.8
111.08080	1.8
112.99998	26.0
121.10125	7.4
123.11697	3.9
124.99998	16.7
135.11661	7.8
138.16158	0.8
149.13252	1.5
169.02577	34.7
184.07321	100.0
205.19492	1.6
247.24098	1.3
260.85504	0.8
265.25052	0.9
315.25424	3.6
339.28918	20.3
353.27100	1.4
433.27194	15.4
476.31088	4.6
494.32437	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42000	0.3
55.31808	0.4
57.03419	0.4
60.08161	5.6
62.98236	1.5
67.05487	0.3
68.55621	0.4
69.07050	0.7
71.07352	0.6
80.69850	0.4
81.07061	0.8
86.09691	21.5
86.13032	0.3
92.17443	1.0
95.08594	0.4
97.82997	0.3
104.10739	3.0
108.58194	0.3
112.99957	0.4
121.10116	0.5
124.93758	1.4
124.99977	12.7
156.54860	0.3
156.96356	3.8
166.27382	0.4
169.02597	0.6
183.96193	0.4
184.07307	100.0
192.98567	0.5
229.00500	0.7
231.00079	2.6
249.01277	0.8
290.49008	0.4
371.32492	0.4
462.20541	2.4
476.31531	0.7
494.23294	6.6
494.32184	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	494.3228
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
53.27675	0.4
53.43531	0.4
54.34288	0.4
57.07040	0.4
58.06581	0.6
60.07867	0.4
60.08153	10.7
61.19845	0.4
67.05482	0.8
69.07030	2.3
71.07334	2.6
81.07018	2.4
83.08598	0.7
86.09686	40.4
93.07012	0.6
95.08575	0.7
97.10141	0.7
102.38560	0.5
104.10719	85.2
107.45638	0.4
109.10130	0.6
124.99968	15.5
140.90965	0.5
163.01567	0.5
184.07292	100.0
285.97345	0.6
311.25818	0.9
439.89157	0.5
476.31158	5.9
494.32297	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	495.1278
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
72.52636	0.6
76.11517	0.6
89.59998	0.6
91.05456	0.8
92.16668	0.5
119.04913	0.9
137.06032	1.4
147.04376	7.4
148.05185	10.0
153.01823	3.8
161.05986	1.3
162.06697	1.2
168.74602	0.6
216.04172	2.7
253.04916	2.4
259.06006	2.9
270.05139	8.2
271.06036	0.7
272.03125	3.4
283.05927	2.4
286.04730	1.0
287.05432	87.0
299.05466	7.5
300.06290	2.3
301.07037	0.6
302.04193	3.6
313.07040	2.2
315.04874	32.3
316.05725	8.5
317.06509	10.4
327.04736	4.6
329.06473	1.2
357.06058	2.8
371.07657	1.1
421.08832	0.7
462.09274	2.5
465.11914	5.3
477.11752	14.3
495.12769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35683	5.0
51.64614	6.2
55.05515	6.1
55.17692	4.8
57.07064	6.7
62.06076	38.6
62.06403	4.3
66.06901	5.1
67.05485	33.1
69.07056	23.5
79.05486	5.4
81.07060	42.6
83.08591	26.7
89.28510	6.0
93.07036	13.1
95.08580	47.3
97.10130	9.4
98.98462	25.6
107.08553	22.8
109.10148	30.0
121.10120	9.1
123.11673	7.6
133.10144	9.0
135.11642	7.0
147.11652	7.4
151.11235	7.8
155.01028	29.3
227.30641	6.4
263.23630	27.4
289.89603	5.7
291.15445	6.1
306.27954	11.1
324.28989	26.5
337.27295	53.2
352.56494	6.4
355.28500	11.9
365.01343	5.8
417.23877	38.4
460.27985	26.8
468.89139	6.2
478.29257	76.7
496.30240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	0.4
57.11620	0.2
58.06585	0.3
60.08158	4.5
62.02590	0.2
62.07943	0.2
71.07339	1.0
71.08605	0.3
77.23626	0.2
85.10178	0.2
86.09688	19.9
96.32701	0.2
98.98447	0.4
104.10730	1.8
107.65922	0.2
124.99974	10.8
153.18443	0.2
154.72481	0.2
184.07297	100.0
313.27396	0.4
395.47870	0.2
478.32764	1.1
496.33884	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	496.3389
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
57.07064	1.9
58.06592	0.5
60.08155	11.3
61.67358	0.4
69.72503	0.4
71.07359	2.4
71.08605	2.1
71.14627	0.4
80.29934	0.5
83.08609	0.5
85.10149	1.0
86.09687	34.7
95.08565	0.9
98.98444	1.7
104.10726	88.5
109.10139	0.5
115.21358	0.5
124.99987	15.5
127.67953	0.5
137.82729	0.4
163.01476	0.6
182.94061	0.4
184.07300	100.0
216.90501	0.4
313.27231	2.4
447.62363	0.4
459.08490	0.5
478.32809	6.0
496.33868	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	497.144
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
50.67025	0.1
80.10992	0.1
92.10778	0.1
178.02548	0.3
194.21719	0.1
242.05859	0.2
270.05188	8.1
271.05844	0.2
273.03906	0.2
286.04669	1.2
287.05377	2.2
298.04666	0.2
299.05481	0.6
301.03387	1.7
302.04175	0.9
315.04950	27.4
316.05746	10.7
331.08084	100.0
469.15390	0.2
497.14365	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	497.1438
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
53.73783	0.1
59.47765	0.1
61.58871	0.1
96.39582	0.1
107.04913	0.1
112.66801	0.1
118.35393	0.1
137.93202	0.1
140.72670	0.1
162.30023	0.1
178.02501	0.1
258.04904	0.2
270.05194	7.3
286.04773	1.1
287.05444	2.0
288.06216	0.2
293.18134	0.1
298.04596	0.4
299.05585	0.2
301.03479	0.9
302.04135	1.3
313.03381	0.1
315.04941	25.0
316.05740	9.9
331.08078	100.0
497.14374	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	497.1803
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
51.41885	5.3
54.71735	3.9
56.99340	4.3
72.32187	4.3
74.66920	3.9
80.37631	4.0
85.02917	5.7
87.62862	5.0
91.37144	4.5
93.07710	4.6
102.79511	4.5
105.06999	6.2
107.04941	5.1
107.08562	5.7
109.10146	7.1
114.09147	7.5
121.06526	5.2
137.05974	100.0
147.04340	10.0
147.08044	6.4
149.05977	30.2
151.03923	12.1
161.06001	6.8
177.05406	45.6
227.06850	5.5
231.24329	5.3
234.61731	6.0
239.06874	6.4
268.07422	6.2
277.08496	7.0
281.19128	5.8
283.09476	9.7
285.11099	5.5
299.09198	5.5
311.09006	19.0
315.08511	18.9
316.19843	6.0
317.20874	16.9
318.21390	8.9
329.10120	8.0
334.21136	9.3
335.22177	10.5
401.13434	6.6
404.11227	5.7
421.16290	6.3
433.16724	33.8
451.17474	11.3
461.15891	6.3
479.16498	5.5
497.13306	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	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74686	1.4
70.17271	1.7
78.05707	1.8
79.05501	1.8
91.05440	1.9
107.04967	3.6
111.04395	2.8
114.09180	2.1
119.04868	2.6
121.06490	2.9
125.06019	3.1
135.04428	4.0
137.04918	3.1
137.05959	89.5
147.04352	2.7
149.05957	58.1
151.03886	12.5
151.07475	2.9
153.05479	10.3
161.05978	11.5
163.03888	3.2
165.05540	2.3
167.07005	2.8
177.05434	100.0
183.08070	3.3
202.71841	1.7
207.04387	2.0
211.07544	10.2
225.09074	2.8
237.09053	3.7
239.07028	3.7
240.07698	8.8
249.09052	3.4
251.06917	3.5
253.08499	3.7
256.07095	1.8
259.09561	3.3
265.08609	3.2
268.07404	2.7
271.09427	3.7
277.08484	7.1
279.06631	2.9
283.09616	10.7
285.07736	2.0
285.11224	7.6
293.07785	1.8
295.09399	2.3
297.11270	4.1
299.09113	31.0
309.11270	2.4
310.11969	2.5
311.09134	12.8
313.10550	2.4
315.08749	4.1
325.10617	7.6
329.10120	20.8
330.63376	1.8
421.16376	4.0
433.16373	4.1
449.15933	7.0
451.17453	33.5
479.16803	11.6
497.18036	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	497.2742
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
52.42157	0.7
53.21111	0.7
54.58278	0.7
55.05501	1.1
55.08963	0.8
57.16812	0.7
63.23525	0.8
69.03425	3.5
69.07049	1.0
74.85078	0.8
81.03415	1.5
81.07048	5.1
83.04993	0.9
83.08586	1.5
85.02913	9.6
95.05000	1.1
95.08586	5.3
97.02869	1.4
97.06512	1.4
99.04414	0.9
105.07024	1.2
107.08582	4.1
109.02843	1.1
109.10123	5.2
119.08578	4.4
121.10142	6.3
123.11728	1.5
125.09562	0.9
127.03960	1.2
131.08557	5.0
133.10152	6.8
135.08034	5.4
135.11684	3.7
137.09633	1.6
139.11150	2.2
145.10072	1.3
147.08035	36.0
147.11685	3.8
149.09685	1.4
157.10089	2.1
159.11655	3.8
161.09547	4.2
161.13295	3.3
163.11115	1.8
171.11632	1.8
173.09624	4.9
173.13251	17.1
175.11156	1.2
183.11662	2.2
185.13139	1.0
187.11182	4.3
188.73253	0.9
189.12738	1.4
191.14252	1.4
197.13203	1.8
199.11137	1.8
203.14276	4.0
207.11652	1.0
211.11084	1.1
211.14679	1.1
215.14284	5.0
220.13258	1.0
225.12692	1.6
239.14278	1.5
239.17833	1.8
241.16031	1.0
243.17363	1.7
253.15779	1.1
253.19504	4.5
257.15005	1.1
257.18900	4.2
261.14557	1.0
263.17923	3.3
269.18976	4.0
271.20477	7.4
281.18945	28.7
299.20026	31.6
317.21066	35.5
335.22122	100.0
352.57877	1.0
409.15860	0.9
497.27551	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	497.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	13.0
56.49354	3.2
57.03421	29.5
59.80906	4.0
61.02668	4.5
61.02925	77.9
67.05501	86.0
68.84933	3.6
69.03423	31.6
69.07060	16.5
73.02901	33.6
79.05479	54.9
81.03400	18.1
81.07046	91.0
83.04967	4.5
83.08596	6.6
85.02890	69.3
85.78217	3.3
86.09695	7.6
91.03938	34.5
91.05461	16.5
93.07025	69.3
95.08598	68.8
97.02885	51.7
97.06550	5.0
99.04449	7.0
101.02363	8.7
103.03919	5.2
104.10722	4.8
105.07027	30.2
107.08595	45.7
109.02877	4.8
109.10113	29.0
111.04442	3.6
117.06940	4.6
119.08574	23.6
121.10125	30.5
123.11652	8.1
127.03909	20.8
129.05496	4.4
131.08566	15.9
133.10129	16.1
134.48048	3.8
135.11694	19.2
145.10085	7.8
147.11676	6.7
149.13184	5.5
159.11676	9.4
173.13245	4.9
182.20189	3.8
184.07379	16.4
261.22153	16.8
335.25702	46.9
479.30307	7.0
481.22263	4.3
497.31042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39623	1.1
53.03937	2.9
55.01875	2.2
55.05508	14.3
57.03216	1.5
57.03431	23.8
57.07065	1.7
61.02631	2.7
61.02918	60.0
66.90190	1.2
67.05494	57.4
69.03417	31.1
69.07058	15.8
71.01363	1.6
71.04974	7.1
72.57617	1.2
73.02901	30.9
75.04461	2.1
79.05091	2.1
79.05486	34.0
81.03412	15.3
81.06577	2.2
81.07046	65.6
81.65500	1.5
83.04969	3.3
83.08593	9.2
85.02888	62.4
87.04426	2.3
91.03938	30.9
91.05453	18.4
92.16729	2.8
93.06459	2.2
93.07025	47.6
95.04951	3.3
95.07981	2.3
95.08585	56.2
97.02868	39.1
97.06487	3.4
97.10113	1.5
99.04420	9.5
101.02369	12.6
103.03914	6.6
105.07040	16.4
107.08578	26.7
109.02849	7.5
109.10138	21.8
111.08060	1.9
115.03896	3.0
117.06997	6.2
119.08537	15.7
121.10133	23.3
123.11668	8.3
127.03905	14.8
129.05455	2.6
131.08517	12.6
133.10088	15.5
135.11688	12.6
145.04953	2.8
145.10063	12.1
147.11671	8.6
149.13255	5.9
149.60878	1.4
159.11630	8.4
160.02771	1.5
161.13185	2.6
173.13235	6.7
183.06461	2.1
199.12836	1.7
201.07570	2.2
236.15070	2.4
237.15167	1.6
243.21086	2.2
261.22134	9.9
307.46353	1.7
335.25690	44.7
369.24142	2.3
443.27924	1.7
479.29895	8.4
497.30942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22279	3.5
63.19661	3.1
76.85651	3.8
81.07037	8.7
82.17200	3.5
91.05434	5.9
93.07003	4.5
95.08564	9.7
105.06992	4.7
107.08577	17.5
109.06545	4.6
109.10135	7.4
114.09132	4.2
119.08542	15.4
121.10107	19.4
131.08519	8.0
133.10077	18.6
135.08011	14.7
139.11128	7.4
145.10129	6.0
147.07999	87.1
147.11632	4.2
149.09669	6.1
157.10077	7.3
159.11583	6.2
161.09566	7.2
161.13196	6.6
163.24892	3.6
173.09552	7.1
173.13196	39.6
175.11133	5.0
183.11574	5.6
185.13277	4.4
187.11128	5.3
197.13263	7.2
201.12630	6.1
203.14229	5.4
217.12021	4.4
253.19440	15.1
257.18854	8.1
263.17798	15.1
269.18784	5.5
271.20563	7.4
281.18936	64.8
299.19980	75.5
317.21057	95.8
335.22055	100.0
384.61325	5.0
392.12924	4.7
498.25046	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	499.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37417	2.5
53.12516	2.4
58.96995	2.3
69.03420	4.8
81.03417	3.3
83.62488	2.7
85.02907	23.4
89.94942	2.9
91.03939	3.5
93.07041	11.4
95.05010	3.6
95.08579	21.6
97.02870	12.8
97.10119	3.7
106.02919	12.3
107.08620	6.1
109.06512	3.9
111.54213	3.1
115.63694	3.0
119.08533	3.3
121.06467	6.2
121.10123	12.2
123.11671	28.4
124.03974	7.2
133.10143	26.9
135.07979	4.3
135.11729	22.5
137.06000	14.0
138.31543	3.2
145.10133	17.3
147.08032	16.4
147.11678	14.4
149.13287	5.3
157.09978	3.6
160.24428	3.2
160.51054	2.9
161.13123	3.2
165.05490	12.9
173.09537	3.9
177.05554	4.1
181.10023	3.3
189.09151	4.2
195.11516	3.5
199.14828	3.3
201.12924	3.8
211.14801	25.4
227.87558	3.3
229.12210	13.5
229.81635	3.2
237.16292	4.8
255.17351	12.0
273.15543	3.1
273.18433	4.0
283.16910	21.1
301.17984	100.0
319.19019	96.4
337.20145	55.0
393.61597	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2893
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
58.44949	9.7
62.68209	11.1
81.03381	10.9
81.07027	12.1
83.08591	11.7
85.02908	75.4
95.08580	22.9
97.02892	13.4
105.06980	15.2
107.08585	17.5
109.02843	18.8
119.08525	16.1
121.10130	47.3
123.11696	24.6
127.03905	10.5
133.10107	70.8
137.05969	52.3
143.20267	11.9
145.10138	12.1
147.11629	15.5
159.11610	13.7
171.11740	12.3
177.05405	22.9
186.53239	11.5
196.81650	11.5
197.13129	14.1
199.14743	11.6
201.16359	40.6
203.17863	23.6
213.12860	10.6
239.17860	23.0
241.19502	17.4
267.82257	12.0
283.20468	44.1
301.21567	100.0
302.75330	11.7
309.07443	13.3
319.22644	66.4
385.14569	12.4
499.29092	76.2
520.55713	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	499.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.7
56.77267	1.8
57.03434	2.0
57.23772	1.8
57.41172	1.7
58.06591	5.5
59.07380	4.4
59.34678	1.8
60.08161	4.7
67.05491	12.5
69.07054	4.1
81.07043	12.8
83.08605	3.3
86.09692	27.0
91.52633	2.1
93.06995	2.6
95.08598	3.3
104.10724	100.0
109.10150	3.5
111.59087	2.4
113.00005	2.9
124.99966	9.6
130.99054	2.3
184.07298	95.2
266.58878	2.3
312.12216	2.6
337.27362	4.1
338.94000	3.5
425.23499	2.1
479.22299	3.5
482.28638	20.4
499.29666	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	499.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18461	12.7
51.78082	12.1
53.53318	13.9
61.02924	24.6
67.05482	24.3
67.14214	14.5
67.54845	16.5
68.99634	14.4
69.07047	16.1
70.56003	13.6
81.07037	31.4
85.02887	28.8
86.09694	27.5
86.85780	16.4
95.08578	39.1
104.10728	39.7
109.24252	15.7
127.03926	20.9
139.01938	15.0
184.07323	32.3
241.06444	15.3
308.84674	19.8
337.27274	22.8
499.33362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51655	0.6
61.99231	0.6
62.51966	0.8
69.03413	1.3
81.03410	0.9
82.08574	0.8
85.02893	4.7
91.18452	0.8
97.02856	1.6
99.04395	1.8
109.02861	0.9
117.03336	5.3
127.03887	4.0
145.02820	42.9
149.05951	1.2
162.05476	0.7
177.05432	100.0
339.10583	8.0
501.15155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93427	0.8
67.01872	0.8
81.07051	1.0
85.02876	0.9
86.87229	1.1
91.05463	3.3
119.04935	12.3
127.03874	3.7
137.05956	7.1
145.02827	4.4
145.56790	1.0
147.04388	100.0
151.07481	6.9
163.03911	7.6
177.05464	6.5
184.07555	17.2
186.09106	1.6
214.08626	5.2
280.13669	1.1
308.12918	2.3
320.12750	4.2
338.13739	7.8
347.13800	24.1
355.16479	6.1
466.15646	0.9
501.20181	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	501.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37548	0.9
81.06987	0.9
88.30011	1.0
91.05448	2.0
119.04929	13.6
121.06417	1.0
127.03894	5.2
129.16824	1.0
137.05946	10.8
144.27818	1.1
145.02766	1.6
146.05952	4.8
147.04376	100.0
151.07495	1.5
163.03893	7.7
170.05983	2.1
177.05482	5.6
184.07504	1.6
193.20770	1.2
196.07518	1.5
288.10181	2.4
305.10330	4.4
308.12775	4.9
320.12799	11.9
325.15558	6.1
325.61453	1.2
337.15295	1.5
451.70041	1.3
471.18869	13.1
483.18927	8.6
499.91483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3412
Annotation	Adouetine X
Peak:m/z	Relative Intensity
50.13535	3.9
51.54359	3.5
55.05500	19.4
55.88888	3.6
57.03423	26.0
57.07063	14.8
59.52703	3.6
61.02921	68.5
64.07597	3.7
67.05491	26.0
67.74201	4.3
68.19956	4.0
69.03413	25.8
69.07058	39.4
71.08613	5.0
73.02899	24.9
79.05482	7.2
81.03414	17.4
81.07040	36.0
83.08595	30.5
85.02889	58.1
88.50926	3.5
91.03937	32.2
93.07018	21.0
95.08589	37.0
97.02888	43.3
97.10143	17.7
99.04442	5.3
101.02341	16.4
103.03893	5.5
107.08588	9.3
109.02843	6.8
109.10127	25.3
111.11699	6.1
112.99988	7.6
121.10143	28.6
127.03843	5.8
130.06485	10.0
131.16362	4.5
135.11693	16.2
145.04953	6.9
149.13184	5.6
265.25238	21.4
339.28751	59.3
382.18634	4.4
389.29199	5.5
483.33133	7.1
501.34064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3412
Annotation	Adouetine X
Peak:m/z	Relative Intensity
55.05506	16.6
57.03436	11.5
57.07050	11.6
61.02911	46.9
67.05481	33.9
69.03423	11.5
69.07049	42.4
71.08608	8.1
73.02893	12.3
79.05476	8.9
81.07036	14.5
83.08598	29.0
85.02872	59.6
87.09212	8.6
91.03922	17.6
93.07012	10.0
95.08566	29.3
97.02876	39.9
97.10137	33.2
109.10149	12.9
121.10122	9.7
124.41091	7.5
125.09609	12.1
127.03886	12.1
135.11673	14.0
181.31927	7.3
200.31833	7.5
227.12868	9.9
235.59782	8.1
247.24200	8.8
339.28854	42.9
347.32523	8.7
394.89374	9.6
483.37296	9.1
501.34021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.9
57.07058	4.2
66.31741	2.9
69.03410	5.8
69.07033	17.0
72.04491	33.1
73.02888	14.9
81.03394	18.1
83.04938	5.5
85.02880	7.9
85.06524	5.7
86.09672	5.7
87.08085	3.9
90.05522	66.4
95.04943	18.5
97.02880	15.5
98.02385	22.3
99.04408	4.3
100.03961	13.9
100.95628	3.0
103.07587	5.6
106.30542	3.4
109.02843	56.3
113.05953	4.9
116.03412	41.7
124.07536	39.0
127.03880	29.4
132.06520	15.4
142.08597	34.4
142.17033	3.4
145.04918	4.6
152.10185	3.5
160.09656	14.9
166.08522	5.4
172.09665	6.0
174.11285	5.6
176.56747	2.9
184.09630	63.8
188.43266	3.4
199.06033	7.1
202.10677	100.0
211.09583	6.4
220.11774	15.3
230.10162	6.3
234.09612	7.0
262.12762	17.9
267.56213	3.2
310.12628	5.3
328.13794	98.8
346.14807	18.3
364.15945	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	502.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.4
56.05033	1.2
62.05237	0.7
65.03960	1.1
67.05508	9.7
69.07056	1.8
70.61569	0.8
71.07371	11.2
79.05484	1.5
80.88264	0.8
81.07046	11.0
81.07824	0.9
83.04961	0.8
83.08591	1.0
86.09700	100.0
91.05459	1.1
93.07028	3.7
95.08607	9.1
98.98447	1.2
99.32314	0.8
107.08602	1.1
109.10114	4.6
110.63585	0.9
123.11729	1.3
123.62344	0.8
124.99985	28.4
136.65604	0.7
137.00038	2.7
163.01529	31.0
181.02606	4.8
184.07297	14.1
197.36974	0.8
358.19690	0.9
386.23318	1.2
443.25632	1.6
452.42444	0.9
485.74384	1.1
502.32883	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	503.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02949	0.7
55.04149	0.8
58.06611	1.1
59.50968	0.8
60.56894	0.8
60.88783	0.8
69.28004	0.9
69.73458	0.9
92.77238	1.1
116.04714	3.9
126.54806	0.9
142.33975	1.0
143.01953	4.2
160.03728	5.4
161.02869	6.6
161.04147	1.6
173.02957	3.8
185.02975	4.0
197.03008	1.2
203.04124	3.1
223.66689	1.0
227.04070	1.7
231.45381	0.8
245.05052	25.1
245.07446	1.7
263.06091	3.7
326.24097	0.9
365.09393	1.3
425.11411	12.5
503.16455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	2.6
79.92443	1.5
85.02879	6.3
97.02866	1.7
100.13024	1.6
105.07009	1.8
119.04929	1.6
119.08562	2.0
132.76239	1.3
133.06470	6.4
137.05946	100.0
147.08028	2.4
151.03691	1.8
159.07942	1.6
161.05911	11.7
175.07506	28.9
187.07512	8.4
191.08408	2.3
199.07489	6.7
219.08011	9.2
231.07941	5.4
247.07547	2.2
251.10561	17.8
259.07452	2.5
263.10754	2.0
276.07758	1.6
277.08655	2.0
279.10092	10.4
291.10117	8.3
292.10840	2.6
296.10330	1.8
311.12677	31.9
315.00116	1.5
323.12531	14.3
341.13599	2.4
510.58426	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	Unknow
Peak:m/z	Relative Intensity
51.41133	0.2
55.01871	0.3
55.27205	0.2
57.65304	0.2
61.02914	0.8
69.03416	1.5
69.03748	0.2
71.04958	0.2
71.69033	0.2
73.02920	0.2
73.46228	0.2
79.05502	0.2
81.03389	0.4
81.07047	0.7
82.99536	0.2
85.02896	4.9
91.05460	1.3
92.16833	0.2
94.04179	0.9
97.02863	1.2
99.13229	0.2
103.05478	0.3
105.07025	3.7
107.04969	0.2
109.02872	0.4
109.06507	2.2
113.34547	0.2
115.05441	1.4
117.06994	0.7
119.04893	0.7
119.08566	1.4
122.03596	2.3
127.03890	1.0
128.06166	0.2
129.06956	1.3
131.04910	0.8
132.05695	0.5
133.06500	4.4
137.05968	100.0
143.05992	0.4
145.04985	0.3
145.06485	0.4
147.04372	1.1
147.08046	2.8
149.05954	1.9
151.07515	0.8
155.04904	1.0
159.08029	2.4
160.05209	0.9
161.05948	13.9
163.07518	0.7
167.06918	0.3
168.05702	0.3
171.08041	1.0
172.05185	1.2
175.07524	26.1
177.05414	0.3
179.07024	1.1
184.05237	0.3
185.05960	0.3
187.07516	11.0
189.09065	0.8
190.07684	0.3
191.08536	3.5
199.07527	7.7
203.08542	2.2
217.08624	1.1
218.07233	0.7
219.08018	8.6
219.10071	0.4
220.08841	0.8
231.08008	4.8
232.08873	0.4
233.09671	0.8
235.07516	0.2
235.11186	0.3
236.08253	1.7
245.09604	0.2
246.06801	0.2
247.07494	5.2
248.08353	2.3
249.08974	0.2
250.09761	0.2
251.10628	23.3
259.07513	3.9
260.08273	1.8
261.09100	1.0
263.10629	4.1
264.07748	1.9
276.07867	1.9
277.08517	1.5
279.10107	10.2
280.10928	1.6
281.08194	0.6
283.09894	0.2
283.13037	0.3
291.10110	8.5
292.10941	3.1
293.08185	0.6
295.13303	0.7
296.10376	2.3
308.10370	1.3
311.12735	32.1
323.12744	14.9
341.13849	3.2
503.19098	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	503.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.05480	6.5
57.03420	43.1
57.07063	95.0
67.05477	13.4
69.03409	73.3
69.07050	12.8
71.04980	30.9
71.08630	73.8
73.02914	8.2
81.03399	95.9
81.07041	35.0
83.08620	13.4
85.02873	51.5
85.06526	7.8
85.10153	44.0
88.03474	6.4
91.03926	10.1
95.08594	57.8
96.13551	6.2
97.02840	54.4
97.10102	11.8
98.18439	6.2
99.04433	34.6
103.03925	32.1
109.02847	55.7
109.10124	27.9
115.03870	6.9
120.37278	7.8
123.11649	11.7
127.03900	52.5
137.69814	6.7
145.04924	7.9
183.06468	10.6
201.07759	9.1
267.26694	13.8
341.30511	50.8
411.30969	100.0
485.34421	32.8
503.35696	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	505.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49423	1.1
88.14448	1.2
91.05424	1.5
103.05446	23.9
105.06992	3.1
115.55280	1.4
119.04931	9.8
131.04893	100.0
133.06505	2.5
147.04369	45.9
153.97868	1.2
161.05974	6.7
163.07503	17.0
179.07030	2.2
212.51480	1.3
264.33078	1.5
349.61618	1.4
359.47073	1.3
382.59753	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91837	4.1
55.01856	5.0
59.29618	3.7
62.28315	3.6
63.03543	3.7
66.29591	3.6
69.38319	3.5
88.21297	3.8
93.07054	4.0
107.04958	100.0
121.02838	6.9
121.06467	16.7
125.58416	3.6
126.18414	3.8
126.87565	3.9
127.45866	4.0
131.04935	19.6
137.05946	31.5
147.04373	7.8
161.05894	5.3
175.07535	6.9
179.07018	4.7
195.08038	8.0
203.07092	9.3
209.09921	4.5
209.87540	4.7
215.06976	6.6
219.08063	7.0
223.07596	18.1
245.06096	5.6
245.77522	4.7
247.07558	17.5
248.08270	5.0
249.09111	10.5
255.10130	8.7
259.07605	5.3
263.10422	5.7
277.08481	6.4
278.09280	8.1
289.08420	5.0
301.08447	5.0
305.08096	7.2
307.09583	5.1
319.09634	7.0
337.10904	8.7
347.10651	6.9
351.12268	26.6
364.11380	5.6
375.10382	6.8
392.10248	5.0
397.14474	17.0
407.12808	6.0
425.13760	25.2
427.15326	5.7
439.15405	19.3
445.16455	20.5
457.16489	74.0
469.16232	24.5
475.17554	9.0
510.76056	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	505.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	12.4
63.64795	5.2
66.07548	5.0
78.31194	4.4
91.31047	5.3
105.06981	5.3
107.04951	100.0
110.37446	6.4
119.04926	6.0
121.06466	10.4
131.04890	26.6
133.02815	26.0
137.05939	46.8
137.09645	5.9
145.06464	7.3
147.08028	6.4
149.06007	9.2
161.05922	12.7
167.82188	5.4
170.72679	5.3
175.07501	22.0
177.05363	6.8
181.06491	6.1
191.07050	10.7
203.07028	12.9
207.08012	8.1
219.08046	9.7
223.07361	8.5
231.08058	8.6
247.07486	21.6
248.38747	6.3
249.09134	19.2
267.10068	11.1
273.08997	10.4
277.08624	12.8
279.10110	8.4
285.11133	25.3
287.06888	6.4
291.10080	30.9
305.08151	11.5
309.11099	8.1
319.09708	24.6
333.11374	7.5
337.10632	26.9
351.12204	36.6
363.12234	11.3
397.14441	6.1
425.13861	7.7
445.16464	6.3
457.16415	51.5
469.16437	22.8
475.17276	9.0
487.17474	32.0
505.19125	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	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11554	0.1
55.01863	0.3
57.03430	0.3
60.35109	0.1
61.02919	0.1
65.03918	0.1
69.03431	2.1
71.04978	0.1
72.84938	0.1
73.02903	0.2
76.44088	0.1
81.03404	1.2
85.02901	5.2
90.35328	0.1
91.00897	0.1
91.05477	0.8
94.17130	0.1
97.02889	1.4
99.04446	1.1
101.02396	0.5
107.04961	0.2
109.02859	1.5
119.04929	3.3
122.06018	0.6
123.04406	1.4
127.03904	4.6
133.26093	0.1
136.07559	0.9
145.04945	0.9
147.04396	100.0
162.07608	0.2
164.58047	0.1
165.05453	5.7
173.50710	0.1
182.08086	0.8
208.06641	0.1
269.99203	0.1
291.08627	1.5
309.09656	10.6
326.11914	0.1
327.10706	5.5
344.13364	0.7
471.14923	0.2
483.12872	0.1
506.18689	2.7
506.25623	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	506.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
56.05020	0.4
58.06598	40.5
60.08163	12.9
62.98659	0.4
63.64616	0.5
63.78043	0.4
67.05510	4.0
69.07079	1.6
71.07357	2.4
74.54295	0.4
75.80434	0.4
79.05483	0.6
81.07050	4.4
83.08567	0.5
86.09697	40.6
93.07008	2.0
95.08591	3.6
98.98467	0.7
104.10736	92.0
105.07050	0.5
107.08586	0.9
109.10152	2.1
112.99992	0.8
119.08560	0.8
121.10133	0.8
123.11652	0.6
124.99986	18.6
133.10109	0.7
144.56038	0.5
145.10115	0.6
148.36391	0.4
163.01535	0.7
164.39807	0.5
174.77238	0.4
184.07317	100.0
185.25365	0.5
335.25763	0.5
342.61893	0.6
394.29483	2.6
488.31293	4.0
506.32458	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	506.3237
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
54.02579	0.2
55.05507	1.5
55.89017	0.2
56.05027	0.5
57.03434	0.5
57.05809	0.5
67.05494	4.2
69.07055	2.9
70.06584	2.2
72.08144	100.0
79.05492	1.3
81.07052	5.0
83.08609	1.8
90.09175	3.6
91.05443	0.3
93.07043	1.3
94.63343	0.2
95.08591	3.6
97.10181	0.8
102.06457	0.2
105.06995	0.4
107.08550	0.9
109.10154	1.0
110.75793	0.2
119.08595	0.3
121.10146	1.1
123.11671	0.5
135.11665	0.4
147.11670	0.3
161.13290	0.3
163.14769	0.3
170.05746	4.5
244.09311	0.3
248.40950	0.2
337.27292	10.2
488.31302	5.8
506.32352	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	507.3669
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
55.01848	9.7
55.05505	22.3
57.07071	9.5
67.05483	54.6
69.07052	56.9
69.42677	9.3
71.08617	53.0
79.05478	47.0
81.07048	100.0
83.08602	18.4
87.44952	9.2
88.01862	9.8
91.05465	16.9
93.07015	77.8
95.08577	63.5
95.23605	11.8
97.06511	12.1
97.10177	53.8
99.08033	14.6
105.07018	57.7
107.08580	59.5
109.06486	16.3
109.10133	25.3
110.03323	9.7
111.08073	12.7
119.08555	64.3
121.10114	57.5
122.05815	9.6
123.11663	10.5
125.09570	13.1
131.08525	44.2
133.10071	19.5
139.11168	11.6
145.10133	17.8
147.04454	14.4
147.11659	43.7
149.13324	13.7
157.10089	16.0
161.13148	14.3
174.84290	10.1
175.14798	17.1
179.14197	12.5
225.28670	10.6
277.21533	53.4
295.22668	50.8
452.84033	12.1
471.34543	25.4
489.35843	90.0
507.36453	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	508.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	5.8
69.07045	1.7
78.03434	4.2
81.03397	10.6
81.07051	1.7
83.08618	1.8
85.02889	5.3
85.06491	1.1
92.16698	2.1
93.06993	1.1
95.08582	2.6
97.02863	2.4
99.04467	2.4
99.08067	1.5
101.05976	1.2
106.02907	49.4
106.03627	1.7
107.08537	1.2
109.02843	10.1
111.08062	5.0
113.26556	1.0
121.06467	1.7
121.10166	1.5
124.03928	100.0
127.03880	5.9
129.05463	2.6
129.09105	6.5
133.10117	1.2
135.11694	1.4
139.07512	2.5
143.07037	1.7
157.08615	2.1
177.12811	1.5
195.13699	2.0
204.61473	1.0
214.45384	1.1
223.13268	2.0
241.14290	14.1
250.07054	2.6
268.08069	54.7
288.43146	1.0
291.76797	1.2
342.49640	1.1
508.21689	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	508.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
57.07058	4.1
58.06578	6.1
59.06112	29.3
60.05627	14.0
60.08152	78.0
62.22975	2.1
67.05486	12.2
69.07060	4.0
71.08639	2.7
72.97969	2.6
74.06062	100.0
79.05463	4.1
81.07021	11.5
82.94025	2.5
92.07114	4.7
93.07003	5.2
95.08589	12.3
107.08566	4.3
109.10144	10.3
112.99996	35.2
119.08570	3.1
128.14264	5.4
133.10107	3.0
138.23132	2.4
159.16119	2.9
159.46165	3.0
159.72987	3.2
168.17397	3.6
169.02615	13.8
175.96858	2.5
182.15363	4.9
187.03674	3.5
195.00223	3.9
337.27191	12.2
368.18060	3.3
396.31253	3.1
408.21329	4.6
411.17249	2.9
448.47131	2.8
490.29263	3.0
508.30460	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	508.3388
Annotation	PC(17:1(10Z)/0:0)
Peak:m/z	Relative Intensity
55.05495	0.5
57.07058	0.7
58.06335	0.7
58.06591	12.4
59.53953	0.4
60.07897	0.5
60.08157	11.5
67.05476	2.5
69.07029	1.9
71.07330	2.6
72.08124	1.2
75.19950	0.4
81.07019	2.3
83.08582	2.2
86.09689	36.2
92.16714	0.5
93.07012	0.6
95.08553	2.2
97.10141	1.0
104.10724	89.8
109.10124	0.9
111.68562	0.4
121.10124	1.0
124.99973	15.5
135.11670	0.7
163.01468	0.7
184.07301	100.0
287.23611	0.5
288.94907	0.4
325.27362	1.0
379.28476	0.8
490.32755	4.3
495.69656	0.5
508.33893	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	508.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34505	10.5
56.69338	10.6
62.06087	47.9
67.05495	18.2
67.31464	9.9
69.07064	24.4
74.61636	10.7
81.07061	39.8
83.08607	16.4
85.21394	9.9
95.08624	19.8
95.32749	10.0
107.08578	15.5
109.10119	12.4
117.79685	11.1
160.12196	10.3
223.29483	10.7
231.48631	12.5
268.05707	13.6
333.24536	10.7
336.32397	12.8
367.32028	100.0
490.33105	12.4
508.33878	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	508.3396
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
57.07053	0.9
64.81110	1.0
69.07052	6.1
70.06584	1.6
72.08149	100.0
81.07060	2.1
83.08620	2.1
90.09190	2.2
93.06982	1.4
95.08613	1.8
97.10158	1.8
107.72150	1.2
121.10147	1.2
127.56197	1.0
135.11665	1.5
140.80533	1.0
152.34477	1.0
159.97173	1.0
170.05750	5.0
198.70172	1.0
242.21083	1.0
339.28888	12.1
356.98984	0.9
433.86334	1.3
490.32578	8.0
508.34100	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	509.1284
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.73457	0.3
53.03948	0.4
55.01873	0.5
57.03433	0.6
60.41152	0.3
61.02921	0.7
69.03410	2.4
81.03384	2.0
85.02895	10.4
91.03933	0.5
92.17491	0.9
92.61655	0.4
97.02876	3.9
99.04401	0.4
109.02863	1.7
127.03866	2.1
137.05939	2.3
139.03851	3.4
145.04927	0.6
147.04393	0.6
149.06023	0.5
151.03879	0.5
153.01788	3.8
153.05424	6.1
154.06255	0.5
161.05812	0.6
164.44743	0.4
165.01796	2.2
181.04947	2.1
189.09111	0.6
199.38347	0.4
207.06580	0.7
243.54588	0.4
258.05170	2.0
259.05957	1.6
269.04410	1.4
283.02130	0.6
286.04630	5.7
287.05435	11.5
291.08463	2.7
303.04843	0.6
303.36130	0.4
314.04187	1.5
315.04947	4.6
318.07376	0.5
331.04370	3.5
332.05222	6.2
347.07541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34381	0.5
66.02000	0.5
81.07025	0.6
94.04153	0.9
104.21632	0.6
107.04939	0.8
109.06500	5.3
114.09134	1.0
122.03636	1.5
137.05954	62.1
153.01782	3.2
153.38031	0.6
194.59665	0.7
252.87953	0.7
294.05161	6.5
295.05951	11.7
306.05328	1.0
307.09665	0.8
311.05460	1.3
322.04590	23.6
323.05408	3.1
324.06198	0.8
331.08313	0.8
334.04922	1.4
339.04919	11.8
339.08688	0.9
340.05704	30.4
341.06543	1.4
351.05023	1.1
352.05624	3.0
355.08038	100.0
367.08319	5.7
398.08105	0.8
399.08597	3.4
401.06458	1.4
415.08047	1.0
416.08734	0.8
427.08075	3.8
429.05933	1.5
431.11508	0.8
433.09174	1.0
443.07288	5.6
443.20508	0.9
444.08441	1.4
445.09296	2.6
457.09427	0.7
458.09732	1.5
459.10837	2.9
461.08566	5.7
475.10214	3.9
476.10928	4.2
491.13351	11.9
509.14343	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	509.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17309	1.2
96.06866	5.3
109.02857	1.6
111.05566	1.5
117.03354	2.1
125.07098	13.4
127.03902	1.0
145.02834	37.1
150.61627	1.1
154.26419	1.2
171.07620	100.0
177.01143	1.4
177.05440	66.3
221.71011	1.2
269.83621	1.2
294.24200	1.2
320.47369	1.2
331.45532	1.2
333.12912	22.1
340.98395	1.2
461.87082	1.2
509.17630	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	509.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22614	1.0
63.06896	1.2
65.04821	1.2
74.40867	1.0
76.05827	1.2
97.42700	1.6
107.04948	1.4
121.06470	3.0
122.03619	2.6
128.28171	1.3
131.04941	2.9
137.05959	100.0
149.05948	12.1
151.03860	6.4
151.07608	1.8
161.05916	11.5
165.05455	6.9
165.06923	1.6
177.05420	2.1
181.06375	1.7
189.05415	3.2
195.07961	2.3
205.06805	1.5
207.06425	1.5
221.09624	1.4
223.07458	2.1
235.07655	1.4
237.09103	3.0
249.09070	3.2
251.07013	2.1
253.08524	6.4
263.07190	1.6
265.08435	9.3
269.08035	2.7
273.11066	2.1
277.08563	5.7
283.09604	2.1
284.10437	3.2
285.11176	9.9
294.08862	1.6
297.07803	1.3
297.11145	6.0
311.09100	5.6
313.10696	1.3
325.10522	2.3
326.09088	1.6
337.10785	5.0
341.11682	2.6
343.70020	1.5
358.12091	1.8
369.11313	2.1
373.14453	4.7
386.11545	5.1
401.13855	7.4
429.13058	5.3
449.15811	16.1
461.15790	32.3
479.16736	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	509.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43486	1.6
54.41437	1.7
72.22576	1.5
76.38283	1.6
83.36597	1.7
91.05450	2.9
94.43145	1.7
97.95570	2.2
109.06453	2.8
118.07632	1.7
119.04897	7.1
121.06461	7.6
122.03657	1.7
128.08867	2.2
131.04915	8.9
135.04430	2.4
135.12521	1.8
137.05952	100.0
147.04315	2.8
149.05904	20.0
151.03856	2.0
151.07512	6.8
161.05916	43.2
165.05388	13.5
165.06662	1.8
177.05452	8.1
177.06984	2.0
179.06982	2.7
185.05933	16.6
186.06720	3.0
189.05350	16.3
195.08035	11.2
221.05910	3.0
223.07524	11.4
225.09079	2.8
234.06653	2.3
235.07559	2.5
237.09059	9.9
239.07088	3.2
240.07581	2.7
249.05394	2.1
249.09007	15.1
251.06984	9.6
253.08572	4.1
255.10063	4.0
262.06165	1.9
264.08093	1.9
265.08435	16.4
269.07959	2.0
271.09576	2.8
277.08417	20.0
278.09235	9.4
279.06705	3.8
279.09842	2.0
280.07336	2.0
283.09607	11.4
284.10333	3.4
285.11295	8.7
293.07983	3.1
294.08826	3.5
296.10291	2.2
297.11166	11.3
308.10406	7.8
309.11212	16.8
311.09009	14.8
315.12186	12.4
322.08325	7.1
325.10812	14.8
337.10608	51.6
340.10556	1.9
341.11703	2.8
349.10443	3.1
354.08759	2.6
355.07956	2.5
355.11807	3.2
373.14532	2.4
386.11252	2.8
401.13647	7.3
429.13116	9.5
449.15741	7.6
461.15771	43.8
479.16611	8.5
491.16925	7.5
495.77704	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	509.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58359	2.8
73.48169	3.3
82.86494	4.0
103.05543	4.0
105.07041	5.1
114.63031	3.6
131.04967	5.7
137.05972	56.0
151.03900	8.6
151.07503	21.6
161.05962	94.2
161.09595	21.8
163.07500	5.9
174.06715	5.5
175.07579	16.5
189.09073	72.6
207.10167	45.0
216.50243	4.8
219.10074	4.7
237.08879	4.4
265.08609	4.9
277.08612	5.1
297.11151	6.6
311.12289	5.7
357.20377	100.0
367.60352	4.6
463.33914	4.3
479.20627	7.2
509.21536	19.1
509.28787	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	509.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03490	0.7
85.07631	0.9
102.00582	0.8
105.11440	0.7
343.01285	0.9
394.15982	0.8
402.26721	0.8
509.34406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3173
Annotation	1,2-Dioctanoyl PC
Peak:m/z	Relative Intensity
55.97112	0.6
59.06103	1.3
60.08158	6.8
66.02201	0.7
67.05481	0.9
71.07375	0.7
79.71447	0.7
83.08569	0.9
86.09692	19.3
104.10727	5.3
124.99975	11.5
134.38229	0.7
184.07307	100.0
236.40550	0.8
236.43214	0.9
414.64914	0.8
492.30679	1.0
510.31754	14.7
524.22504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.3
57.07065	0.6
58.06582	0.3
60.08160	7.9
62.06088	1.2
71.07361	2.0
71.08608	0.6
76.54143	0.3
86.09698	24.1
95.08603	0.5
98.98515	0.3
104.10734	100.0
110.90955	0.3
113.42970	0.3
117.05489	1.6
124.99989	13.1
181.02638	1.5
184.07321	47.9
210.33752	0.3
240.09886	0.6
258.10965	14.7
492.30750	0.4
510.31888	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	510.3187
Annotation	1,2-Dioctanoyl PC
Peak:m/z	Relative Intensity
57.07065	1.1
60.08163	12.2
67.05500	1.1
69.07050	1.0
71.07361	1.1
74.77644	0.7
81.07037	3.2
83.08627	1.0
86.09199	1.3
86.09695	38.1
95.08578	3.0
96.22185	0.8
104.10732	85.2
109.10129	1.6
124.99983	14.5
163.01590	0.8
174.54216	0.7
184.07312	100.0
195.41597	0.9
233.56964	0.9
235.64839	0.8
384.01230	0.8
409.25192	0.8
492.31137	1.1
510.31805	55.7
517.70325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05506	4.3
56.05850	0.6
57.03426	3.5
57.07068	0.7
58.06583	0.7
60.08162	13.2
67.05505	10.9
68.05840	3.6
69.07071	7.7
70.07384	1.3
71.04988	0.7
71.07373	1.5
71.08640	1.2
79.05476	2.3
80.05807	0.6
81.07058	14.0
82.07379	2.8
83.04961	0.9
83.08602	2.4
84.08959	1.1
86.09702	41.2
91.05475	0.7
92.17428	1.6
93.07024	3.3
94.07397	0.9
95.08606	10.5
96.08926	4.8
97.10147	1.4
98.98457	10.9
104.10741	100.0
105.07058	0.7
107.08604	3.1
108.08887	0.7
109.06548	0.7
109.10155	4.2
117.18620	0.5
119.08598	0.6
120.08939	0.8
121.10142	2.4
122.10458	1.0
123.11710	2.5
124.99994	13.9
129.05466	5.2
133.10100	2.2
135.11739	0.9
155.01004	6.2
173.02039	0.9
184.07330	96.8
185.54477	0.6
186.13792	0.6
195.00488	0.6
225.22092	5.3
229.04907	1.0
238.46844	0.6
247.05685	1.3
264.24045	0.7
337.27365	5.9
338.27682	34.4
474.26663	5.3
492.30710	1.1
510.31927	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	510.3551
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.58076	0.5
53.61953	0.4
57.07084	4.2
58.06576	0.5
59.57624	0.5
60.08161	10.7
67.05482	0.9
69.07040	0.9
70.70920	0.5
71.07371	1.3
71.08611	4.8
77.28074	0.5
81.07030	1.3
83.08649	1.2
85.10178	2.6
86.09702	34.8
91.72592	0.5
95.08597	3.0
97.10144	0.8
97.76389	0.5
97.81273	0.6
104.10739	79.8
109.10141	2.0
123.11716	0.7
124.99985	14.8
143.72574	0.7
147.64189	0.6
152.94804	0.5
163.01505	1.8
184.07321	100.0
313.27362	3.5
327.29056	2.2
331.28329	2.6
363.23495	0.7
382.19669	0.6
492.34406	3.5
510.35516	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	1.8
58.06571	0.6
59.60125	0.4
60.08162	5.7
67.05467	0.6
69.07062	0.4
69.87326	0.4
71.07352	0.5
71.08624	0.8
77.01434	0.5
81.07024	0.6
83.08595	0.6
85.10143	0.5
86.09691	22.5
92.16815	1.1
95.08581	2.0
97.02834	0.6
99.78960	0.5
104.10731	7.3
109.10137	0.5
124.99986	11.3
131.88873	0.4
133.77948	0.4
134.78755	0.4
137.50980	0.4
184.07307	100.0
239.23676	0.6
359.42047	0.5
401.29041	1.0
492.34021	1.0
510.35498	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	510.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64912	0.8
52.52691	1.0
53.00277	1.0
54.50561	1.0
55.05491	2.4
56.68511	0.8
57.03444	0.9
57.07068	64.4
57.61438	0.9
61.47175	1.0
67.05495	11.9
69.03408	8.6
69.07054	11.9
71.05001	1.1
71.08619	57.9
72.77233	1.0
81.03394	7.4
81.07042	32.4
83.08601	23.4
85.02893	19.7
85.06400	1.0
85.09686	2.2
85.10164	42.8
92.17368	1.3
95.08592	48.6
97.02895	9.4
97.10155	14.5
99.04390	2.3
99.11704	1.6
109.02868	8.4
109.10130	24.0
111.11705	2.7
123.11683	11.4
127.03891	11.7
127.59252	1.0
137.13245	5.5
145.04910	6.4
151.14824	1.7
168.71779	1.2
217.11586	1.0
239.13058	1.1
239.23735	13.2
257.24701	1.3
313.27322	15.0
331.28284	15.7
383.27847	16.5
401.28882	100.0
411.03571	1.3
524.75757	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	511.253
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
52.30619	9.9
81.07054	19.1
85.02881	59.9
95.08629	19.9
97.02942	17.4
101.02438	10.7
103.31612	10.8
106.02947	12.1
106.79369	10.9
107.08571	23.0
109.02849	52.8
117.87782	12.2
121.10077	19.6
127.03886	18.0
129.05119	11.2
131.08496	13.3
145.10126	28.0
149.09569	18.8
151.03946	13.4
157.91681	11.4
169.10165	13.7
171.11661	21.0
185.13283	12.3
195.11760	11.9
197.13222	45.0
225.16261	11.8
241.16010	22.7
243.17346	88.0
267.17386	22.4
269.18994	22.9
271.16962	16.1
285.18442	59.0
287.20038	86.1
295.17181	14.4
295.32602	13.2
303.19589	23.5
305.21161	49.9
313.17932	23.9
320.39505	14.5
331.18933	45.9
335.05331	18.7
347.37979	12.2
349.20056	100.0
406.87457	12.4
511.25085	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	512.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94573	1.6
65.55982	1.8
72.51297	1.8
79.19576	2.0
81.07037	2.6
85.02904	3.2
93.07035	2.8
97.02843	1.8
107.08513	2.4
113.06023	3.1
127.27483	1.6
130.03487	2.1
135.11569	2.4
135.54984	1.9
137.05984	3.1
138.38210	2.0
151.07390	2.4
152.81801	1.7
168.71562	2.0
171.11583	2.5
185.38911	1.9
187.11182	2.7
191.23355	1.9
197.87590	2.4
213.12657	13.9
227.14207	8.6
235.82794	2.2
269.18909	74.6
287.19977	100.0
297.18613	2.5
315.19458	85.9
315.22906	4.0
333.20502	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34561	0.6
57.03421	1.5
58.06596	0.9
60.08157	12.6
65.40650	0.6
65.68531	0.6
69.64251	0.7
71.07377	0.7
86.09688	40.6
104.10722	100.0
110.02346	0.9
117.05473	4.0
121.24457	0.8
124.99953	17.2
163.01459	0.9
174.30534	0.8
184.07295	97.2
212.72604	0.8
258.10870	0.7
276.31326	0.7
305.14029	0.8
340.29062	0.7
390.12329	0.7
472.61847	0.8
476.31137	1.5
494.32187	0.8
512.33392	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	512.334
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08142	9.7
60.29078	1.8
71.07367	2.0
81.07080	2.9
86.09679	31.3
104.10717	72.1
115.67191	1.9
124.99969	13.2
129.05383	2.0
141.94968	2.0
149.03351	2.0
184.07297	100.0
263.25250	2.1
265.32291	1.9
308.42581	2.1
314.25040	1.9
494.32281	3.3
512.33441	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40024	0.6
52.81771	0.6
60.08165	10.8
69.07066	0.8
71.07343	2.6
81.07040	0.7
86.09696	37.4
97.06528	0.8
97.10120	0.8
104.10737	95.0
109.10146	0.8
124.99992	20.1
181.02565	1.3
184.07318	100.0
219.21178	0.7
240.09959	1.4
258.10968	12.3
276.13089	0.8
279.18146	0.7
297.25476	0.8
311.25696	0.9
494.32330	9.0
512.33417	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	512.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01507	0.3
52.83943	0.3
55.38293	0.4
58.06572	0.4
59.04701	0.3
60.08157	9.1
62.97075	0.4
67.05480	0.4
68.17529	0.4
69.07059	0.6
71.07362	1.7
76.91098	0.4
81.07043	0.7
83.08599	1.0
86.09693	31.0
93.07029	0.5
94.62838	0.4
95.08598	0.6
97.10120	0.4
104.10731	85.9
112.05456	0.5
114.25676	0.4
121.10116	0.6
124.99978	11.4
163.01550	0.9
181.02643	0.5
184.07312	100.0
297.51031	0.4
311.25876	0.6
450.68210	0.4
482.85672	0.5
494.32440	4.4
512.33429	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	512.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
57.76107	0.6
60.08158	9.2
62.57418	0.5
69.07049	1.0
71.07350	1.2
71.41396	0.6
78.01929	0.6
81.07085	0.8
83.08598	0.9
86.09694	33.9
95.08591	0.7
104.10733	89.8
124.99982	13.4
125.00848	1.2
143.83553	0.7
180.94626	0.6
184.07312	100.0
260.14508	0.7
265.81821	0.7
473.29709	0.8
494.32391	4.2
512.33411	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	513.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	15.2
57.03393	22.6
57.07049	13.0
67.05190	3.5
67.05493	62.1
69.06704	3.1
69.07051	39.5
71.01328	15.2
72.08125	15.3
73.02881	19.6
75.04465	2.6
79.05470	13.8
81.07040	82.1
83.08599	20.0
85.02893	37.7
89.07133	35.3
89.10786	5.2
91.05445	6.0
93.07024	29.5
95.01261	3.5
95.08575	70.8
95.10474	2.7
96.66610	2.9
97.02877	6.0
97.06510	3.9
97.10132	5.0
99.00804	3.4
99.08018	3.0
103.03907	5.3
105.07018	11.6
107.08549	22.6
109.10117	37.8
112.84451	2.9
112.99982	4.4
113.02320	22.1
119.08541	13.1
121.10109	22.3
123.11663	12.0
131.03333	4.9
133.10103	4.7
135.11652	4.8
137.13235	5.0
141.01796	27.5
147.11656	11.3
161.13121	3.1
163.14645	2.7
169.02544	11.5
175.14738	5.6
215.05328	3.9
245.22594	5.4
257.76883	3.1
263.23663	20.8
313.27103	4.3
337.27191	27.3
368.25684	4.2
495.29611	6.1
513.30261	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72533	3.8
52.30845	3.2
53.43282	3.0
59.74088	3.8
61.02913	10.1
67.05502	9.4
69.07069	4.7
79.05450	14.8
81.07056	24.0
85.02895	5.4
91.03916	6.7
91.05459	9.3
93.07027	28.4
95.04972	4.4
95.08593	22.9
105.07047	30.3
107.08577	27.2
109.10161	6.9
109.79899	4.1
119.08564	24.4
121.10123	23.0
127.27586	4.2
131.08621	6.9
133.10127	37.4
135.11664	20.1
145.10106	17.5
147.11650	30.7
149.13222	18.0
157.10155	5.8
159.11694	22.3
161.13213	22.2
163.05928	3.9
171.11636	9.0
175.14862	7.0
185.13243	9.0
241.02817	6.5
241.19337	10.3
259.20547	36.7
259.45789	4.3
349.10596	5.2
351.25217	100.0
369.58273	4.4
441.26324	8.3
495.29959	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01868	0.7
57.03421	0.8
61.02904	1.1
69.03436	5.1
71.04974	1.3
73.02912	3.3
81.03416	9.4
83.04980	2.9
85.02898	32.4
90.67352	0.7
92.16918	4.1
97.02277	1.3
97.02883	28.0
97.03505	1.0
99.04449	23.4
103.03931	55.6
109.02869	28.7
110.07130	1.2
111.11792	0.9
113.83423	0.8
115.03925	1.2
127.03902	100.0
127.81128	0.7
130.13773	0.7
141.05557	0.9
145.04953	26.3
145.06099	0.9
162.05490	3.6
163.06004	3.5
169.04901	3.3
183.30144	0.8
187.06015	6.8
253.07034	3.0
267.50793	0.8
271.08038	21.8
289.09097	10.7
307.10098	8.2
334.08829	0.7
340.88361	0.7
349.11319	3.6
377.14349	1.8
382.55923	0.7
394.41083	0.7
415.12231	1.6
433.13388	6.9
451.14560	11.7
479.17395	4.4
497.18497	0.8
528.44861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23384	0.2
63.45771	0.2
67.01852	0.6
71.04988	0.3
81.03393	0.5
85.96070	0.2
89.03880	1.2
99.04469	0.5
109.02886	3.7
117.03356	3.9
127.03898	5.1
143.06937	0.3
145.02832	38.3
149.05968	2.0
177.05449	100.0
186.05385	0.6
266.20703	0.3
272.20892	1.0
285.07632	0.4
303.08615	13.5
303.12088	0.5
377.39224	0.3
456.02658	0.3
510.21597	0.3
515.15405	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	515.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71861	1.7
76.71304	1.9
106.87967	2.1
108.72691	1.8
109.02811	2.5
117.03323	3.5
127.03872	8.7
143.57368	2.4
145.02824	52.0
147.04367	3.1
177.05441	100.0
242.62270	1.9
256.13412	2.5
277.20001	2.2
303.08652	12.5
451.20316	3.3
515.15826	4.5
515.29645	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	515.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46341	1.2
107.04935	1.4
116.88164	1.4
119.04902	5.5
126.85120	1.4
133.06404	1.2
138.41228	1.3
145.02797	1.6
147.04370	22.4
177.05420	7.2
198.13698	1.7
211.77885	1.4
231.08035	9.1
247.07494	2.8
248.08321	7.2
256.60144	1.5
258.06711	5.0
259.07489	18.0
260.08194	6.3
261.09088	2.8
263.10703	2.5
272.04657	1.9
273.09033	2.9
275.06989	7.0
276.07813	20.9
277.08743	1.4
287.06982	7.7
289.08487	7.8
290.09280	24.8
291.10025	25.9
293.07892	1.9
301.08414	1.9
304.07333	6.7
305.08069	2.9
307.09518	1.7
318.08734	13.6
319.09509	26.5
320.10489	5.7
321.07556	7.0
336.09866	15.3
351.12186	100.0
515.16705	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	515.191
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72876	2.0
75.81784	2.1
77.60963	2.5
85.02916	2.6
86.01053	2.0
109.02888	2.6
121.06463	2.7
131.49586	2.2
133.02898	3.1
133.10139	2.9
137.05984	21.5
145.02847	3.2
147.04408	3.4
149.05972	60.5
151.03882	86.7
151.07555	5.0
177.05443	100.0
179.06984	3.8
181.06465	11.2
209.06102	3.1
211.07411	4.9
213.09044	18.8
214.26164	2.4
241.08464	17.4
271.09625	10.5
273.11157	30.9
299.09076	11.4
301.10632	9.5
307.89615	2.4
325.10461	2.5
374.29691	2.6
395.35583	2.5
515.11115	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	515.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07119	3.1
69.03419	4.1
81.07054	5.0
85.02866	8.3
97.02866	5.0
103.03931	24.6
107.08588	24.6
109.02857	6.3
114.09157	16.7
121.10112	7.0
122.29068	4.3
127.03920	22.3
133.10106	100.0
135.08073	7.5
137.05968	4.9
137.09589	68.1
145.02821	35.6
147.04407	8.5
149.13232	6.7
150.68831	4.0
177.05441	90.4
191.14278	90.0
280.84665	4.2
336.22836	3.6
372.86050	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	515.2849
Annotation	Cussovantoside B
Peak:m/z	Relative Intensity
62.30663	4.7
67.50261	4.0
69.03421	10.2
69.07069	6.3
71.96935	4.4
77.85903	4.4
80.47520	4.8
81.03415	6.0
83.08627	11.2
85.02909	54.1
93.07029	7.7
95.08591	10.3
97.02892	23.5
105.06994	7.0
107.08596	7.8
119.08546	6.8
121.10144	9.7
123.11697	31.6
127.03891	8.3
133.10144	45.3
135.08025	9.2
135.11641	9.7
143.08507	6.0
145.02841	5.5
145.10101	10.5
147.04359	6.2
147.11664	10.5
149.13239	10.5
152.92146	5.3
157.10152	6.4
159.11742	6.8
170.03433	5.4
171.11694	6.2
173.13191	8.6
175.14816	10.1
177.05528	8.3
183.11700	13.0
185.13274	11.6
187.11229	6.6
189.12830	6.7
197.13235	26.7
239.17923	13.0
253.19608	10.2
257.18799	6.3
263.18082	10.1
281.19058	10.2
299.20013	30.6
317.21048	86.6
335.22156	100.0
353.23181	84.1
515.15106	6.9
515.28345	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10006	15.0
67.05505	98.0
77.67097	17.2
79.05512	31.5
81.07066	100.0
83.08572	29.4
83.24372	18.9
91.02670	19.3
93.07036	81.2
95.08598	97.9
107.08588	71.2
109.10151	23.5
121.10140	30.1
131.08559	39.6
135.11679	65.9
149.13106	17.4
205.05435	19.8
219.08636	20.4
261.22055	98.7
267.38196	20.2
511.61520	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	516.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	40.4
57.71230	4.1
58.27694	5.1
58.99582	6.8
73.53727	4.9
76.02228	67.7
76.32442	5.0
84.04497	9.0
103.00401	4.9
116.01638	6.1
127.03907	7.1
129.06578	8.9
144.01166	22.0
149.05984	7.7
162.02135	54.5
177.05434	90.7
179.04849	55.2
185.02652	57.4
187.05389	11.2
199.04277	44.7
200.19922	5.5
202.63672	5.5
209.08099	83.0
233.05887	38.2
241.05258	100.0
246.95108	5.1
267.06888	5.9
308.08847	6.3
359.00314	6.1
369.11319	10.3
387.12186	69.5
392.02170	5.9
436.16608	7.3
441.13327	26.7
516.16345	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	517.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63733	1.5
58.75682	1.7
59.30914	1.5
73.80253	1.7
79.05475	7.6
91.05515	2.5
98.58572	1.8
103.05455	3.1
103.08667	2.6
105.07010	3.1
107.04933	23.9
116.74664	1.9
118.04130	2.7
119.04941	8.3
131.04912	9.5
133.06442	2.3
147.04373	25.6
152.04755	2.2
167.07001	100.0
167.11063	2.0
171.07979	3.0
173.05980	1.9
176.04715	3.1
184.05200	2.9
191.06992	25.7
199.07498	22.3
218.07262	3.8
218.55377	1.9
231.08238	2.3
232.08771	2.2
233.09509	24.3
246.06682	3.4
257.06161	2.8
259.07474	2.2
260.08203	8.5
261.09116	22.7
263.07092	2.4
274.06186	3.7
275.07019	2.8
277.08545	2.5
278.09354	7.7
289.08463	33.5
290.09305	11.3
291.10199	2.5
293.11646	7.6
306.08789	9.3
307.09622	2.9
321.11157	44.3
322.11923	6.3
323.09164	1.8
328.37134	1.9
353.13800	40.7
482.57642	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	517.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50827	0.5
58.62170	0.6
77.01031	0.6
78.04684	0.9
78.43204	0.6
79.05470	8.3
81.07056	1.0
91.05460	3.0
92.64893	0.8
95.04945	1.1
103.05444	3.8
105.07008	3.5
107.04927	24.3
109.06525	0.8
118.04139	1.8
119.04923	8.4
121.06490	0.9
123.04392	1.7
124.05177	3.5
125.05964	3.1
128.06187	1.2
131.04900	13.2
132.05685	1.3
133.06470	3.2
137.05951	4.7
145.06458	1.3
147.04366	32.7
147.05545	1.1
149.05957	1.1
152.04639	1.7
159.04413	1.0
159.08035	1.4
161.05977	5.5
163.07558	1.2
167.06982	100.0
168.05667	0.8
171.08023	3.4
173.05890	1.4
175.07501	2.7
176.04633	3.5
177.05441	1.7
184.05046	1.0
189.07057	1.0
190.07614	1.1
191.06976	28.7
199.07500	21.5
202.07771	1.1
203.08530	2.8
205.10071	1.8
215.08487	6.1
218.07108	6.5
219.07919	1.1
229.06345	3.1
231.08017	3.4
232.08778	3.8
233.09543	19.9
235.07497	1.8
236.34348	0.8
243.07956	5.3
245.09392	0.8
246.06696	4.3
247.07425	2.9
248.08298	0.8
249.09128	1.7
250.09868	3.5
257.05865	3.0
259.07407	1.3
260.08289	6.1
261.09021	25.7
262.09811	4.1
263.06943	3.6
271.07367	1.0
273.09000	2.9
274.06198	4.4
275.07025	3.1
275.10486	1.2
277.08554	5.2
278.09351	12.0
279.10010	1.4
288.07721	2.7
289.08487	36.5
289.11633	1.5
290.09259	11.9
291.06485	2.9
291.10065	4.3
292.10739	1.1
293.11520	9.0
303.10043	1.4
305.07977	2.8
306.08798	13.3
307.09503	5.4
309.11203	0.9
310.11661	1.1
321.11105	48.6
322.11899	4.2
323.09079	3.3
353.13745	41.5
519.02893	0.8
541.98956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	18.5
56.35530	2.0
56.89600	2.0
57.00377	1.5
57.03436	7.0
57.07071	11.4
61.02921	3.5
61.07334	1.6
66.42661	1.7
67.05505	72.1
69.03414	7.3
69.07063	27.8
69.19559	1.6
71.04964	2.1
71.08615	9.2
79.05488	22.2
81.03417	3.7
81.07056	100.0
83.04973	2.6
83.08619	29.1
85.02902	4.0
85.10161	3.6
91.05509	15.3
93.07043	31.0
95.04926	2.5
95.08599	91.9
97.02850	2.6
97.06532	4.2
97.10161	16.9
99.08106	2.7
105.06995	15.5
107.08588	28.7
109.06516	1.7
109.10143	59.0
111.08100	6.5
117.07034	2.8
119.08568	16.6
121.10134	34.0
123.11694	24.8
126.12796	2.1
131.04926	2.0
131.08531	3.3
133.10117	19.3
135.11687	17.6
137.09624	1.9
137.13272	9.0
137.57454	2.1
145.10185	2.8
147.08144	2.6
147.11668	15.7
149.13274	9.9
151.11186	2.2
151.14804	7.1
159.11606	2.0
161.13266	19.2
163.14809	9.8
165.12749	2.9
165.16498	2.3
168.90463	1.7
175.14799	11.9
177.16354	2.4
179.14360	1.9
179.17911	4.0
189.16486	2.6
245.22627	43.3
263.23682	66.1
337.27316	29.8
340.34763	1.8
354.20856	1.9
355.28506	3.7
356.49615	1.9
407.27896	2.6
463.30722	2.2
481.30902	3.0
499.32669	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	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20892	2.7
55.05493	6.3
57.03435	4.0
57.07058	6.8
57.62667	2.8
58.99688	2.6
67.05493	71.5
69.07059	29.4
71.08628	4.7
79.05489	20.4
81.03379	7.9
81.07047	91.2
83.08633	24.0
84.26929	3.4
85.02905	4.4
85.10164	3.6
91.05473	13.7
93.07016	31.5
95.08590	100.0
97.10172	19.7
99.08071	5.0
105.07043	16.5
107.08594	27.4
109.10142	56.9
111.08076	3.2
119.08548	16.9
121.10138	18.4
123.11672	29.8
131.08510	5.4
132.41733	3.1
133.10091	23.3
135.11693	16.5
136.93730	3.0
137.13239	5.5
147.11667	20.8
149.13266	6.3
161.13269	14.2
163.14792	13.2
165.16287	5.2
175.14764	15.5
189.16367	5.1
190.74898	4.0
207.48300	3.5
245.22552	41.0
263.23660	53.6
297.62781	4.0
337.27295	29.8
355.28293	6.2
371.25760	6.2
407.27515	5.0
499.32529	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	517.366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	14.0
61.01141	5.5
61.96947	0.9
67.05489	5.3
69.07036	1.0
71.08611	15.1
72.04128	1.4
72.04504	29.0
78.03784	18.3
80.92191	1.1
81.07054	10.4
83.08601	9.3
85.06538	2.4
85.10172	11.1
88.02196	5.0
95.08588	16.6
97.10154	2.7
99.05562	1.4
102.03755	27.3
103.02148	1.1
109.10132	7.6
112.43610	1.3
114.03762	9.1
120.04800	4.4
123.11695	2.1
124.07530	1.2
131.06348	17.3
132.04759	27.8
137.13197	1.5
142.08595	9.1
145.02870	2.0
149.07407	70.7
159.05881	5.3
175.05318	1.4
182.18831	1.2
184.09636	5.7
239.23637	14.1
261.12598	12.0
268.26245	2.6
310.27374	14.3
387.30301	100.0
461.74445	1.2
499.35556	39.6
517.36127	4.4
531.99213	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	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34659	0.4
59.44059	0.5
60.08161	11.6
67.05488	0.9
71.07355	2.2
72.21875	0.5
77.89986	0.5
80.58276	0.6
81.07042	2.4
86.09696	37.6
93.07025	1.4
94.88239	0.6
95.08595	0.9
100.59283	0.6
104.10736	85.5
107.08585	0.6
116.08423	0.5
121.76324	0.5
124.99993	15.1
138.18837	0.5
147.04440	0.7
148.04678	0.6
163.01509	0.6
181.29051	0.6
184.07318	100.0
207.49464	0.7
288.78192	0.6
394.31744	0.6
500.31537	4.4
518.32385	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94381	0.8
57.95986	0.8
60.08155	11.6
66.40395	0.8
67.05511	1.3
71.07346	2.2
71.62518	0.9
77.88954	1.1
81.07024	1.4
86.09687	38.6
93.07001	1.1
104.10722	84.1
104.77010	1.1
107.08562	1.3
111.08131	1.0
124.99978	19.7
136.81848	0.9
180.15077	1.1
184.07295	100.0
196.86385	1.1
500.31155	3.6
518.32330	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	519.1701
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
57.19667	0.3
61.86090	0.4
69.03410	0.7
78.44157	0.4
81.03372	0.7
85.02885	2.4
89.03922	0.6
97.02840	0.6
109.02839	0.9
109.70187	0.4
117.03334	3.2
123.96378	0.4
124.03915	0.6
127.03928	0.4
145.02824	24.8
149.05951	1.0
151.03931	0.5
153.10689	0.4
177.05429	100.0
184.09560	0.4
188.03452	0.5
195.06429	1.9
277.45831	0.4
312.09619	0.4
321.09482	0.6
331.51013	0.5
339.10654	6.4
357.11703	0.6
506.51782	0.6
521.63806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1849
Annotation	Balanophonin 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01868	3.7
56.36917	2.8
65.57264	2.5
69.03432	5.8
85.02883	24.8
89.67625	2.7
91.05397	3.2
94.72322	2.8
97.02898	2.9
109.02813	3.0
111.04430	3.9
111.12965	2.8
113.92178	3.3
125.05948	6.1
127.03864	4.8
137.05945	100.0
137.06917	5.4
143.04927	3.3
147.04440	3.0
151.03925	4.3
153.05341	4.8
161.05888	23.5
162.06674	3.1
165.05434	19.2
171.04378	4.1
175.07515	18.4
177.05379	27.8
187.07472	4.4
203.06891	5.8
215.06947	4.5
218.07484	3.5
219.08070	15.5
235.07542	4.3
235.86578	3.5
245.05785	4.5
246.06592	4.5
247.07498	24.2
249.09096	19.1
251.10677	4.2
261.09106	29.6
263.07159	3.4
264.07788	5.6
267.07025	3.4
267.10028	4.5
274.06302	6.5
275.06989	12.6
276.07953	3.1
277.08502	24.9
278.09253	5.0
279.10101	20.3
289.08463	36.6
290.09372	4.3
292.07379	4.6
294.08841	6.0
295.09259	3.4
306.08737	12.9
307.09503	53.9
309.11218	15.3
321.11182	35.8
327.12238	48.1
333.78357	3.5
339.12256	40.8
343.55130	3.2
357.13281	47.2
494.62607	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	519.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
68.84970	0.7
79.05476	0.8
80.17405	0.7
91.05467	3.1
103.05399	0.9
103.73902	0.9
105.07018	8.8
107.04961	1.0
109.06554	1.1
109.43324	0.7
115.05401	1.1
119.04958	1.1
119.08563	3.7
121.06503	1.2
122.03644	4.2
128.06168	0.9
129.07028	3.6
131.04906	3.3
132.05690	0.9
133.06500	12.0
133.18585	0.7
137.05972	100.0
145.06487	1.3
147.04437	1.3
147.08038	3.6
149.05969	3.2
151.03928	3.9
151.07536	1.3
155.04898	0.9
159.04446	1.0
159.08052	6.7
160.05255	1.0
161.05971	21.2
172.05180	6.3
175.07516	24.0
175.08989	1.1
179.07027	1.2
184.05269	1.0
187.07529	22.2
193.06427	1.2
194.07301	0.9
195.08067	1.6
199.07501	16.3
203.08615	0.8
205.06485	1.7
217.08632	1.3
218.07080	1.0
221.05954	4.6
222.06799	3.8
223.07527	1.1
224.08275	1.1
225.09158	3.7
231.07993	1.6
233.06001	1.7
233.09467	1.8
234.06738	1.1
235.07547	1.2
237.09096	9.3
239.06953	0.9
243.08095	1.3
249.09001	3.3
250.06250	0.9
253.08595	4.4
254.09351	0.9
261.09106	3.5
262.09903	0.9
263.07251	0.9
265.08594	18.8
267.10223	2.9
271.07413	1.8
275.10522	2.8
277.08591	4.3
278.09396	1.2
279.09976	0.9
282.08835	1.7
285.11234	8.5
289.08521	3.3
290.09320	1.2
291.10052	1.8
292.10938	1.3
293.11691	2.9
294.09000	1.1
295.09702	0.9
297.11176	17.2
303.09943	1.1
307.09543	1.5
309.11160	4.8
315.12247	3.6
321.11105	5.3
323.12753	2.8
333.11343	1.3
335.12827	6.2
365.13876	1.4
379.13284	1.3
396.13602	1.5
409.10349	1.0
411.16086	1.7
439.15244	3.6
441.13052	1.2
451.15427	1.4
459.18097	11.4
471.17975	14.4
483.17813	1.6
501.19037	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	519.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25369	1.8
50.59235	1.9
51.16537	2.4
51.77964	1.7
55.01862	3.2
57.00006	2.0
69.70130	3.1
91.05473	23.0
95.04958	5.5
97.02817	3.0
103.05437	2.9
105.06999	9.7
107.04945	4.3
109.06516	8.7
114.09134	11.0
115.05481	2.8
119.04923	37.3
119.08592	3.6
121.06487	4.6
122.03598	3.0
123.08027	3.0
129.06985	3.9
131.04909	5.4
133.06474	16.2
137.05959	100.0
138.81870	2.3
145.06407	2.5
147.04407	18.1
147.08110	3.4
149.05995	5.9
151.03882	19.6
151.07535	20.0
151.08614	2.4
159.08003	25.8
161.05945	42.6
162.06847	2.6
163.07591	3.9
172.05128	25.3
173.06047	2.5
174.06763	10.1
175.07497	41.0
177.05473	3.7
179.07022	5.4
184.05150	3.8
185.05969	5.5
187.07510	76.4
189.09079	3.5
191.07016	5.4
193.06544	2.7
199.07515	41.7
216.07813	24.4
217.08505	4.6
219.08093	4.6
221.06012	4.4
222.06628	3.4
225.08934	3.0
231.07913	5.3
233.09631	4.1
237.09088	3.3
249.09160	20.4
251.06905	3.1
251.10516	4.0
253.08519	3.3
260.08292	4.1
261.09079	11.8
263.10748	3.6
265.08496	29.8
267.10046	3.4
271.09628	3.4
275.10614	2.9
276.07379	2.5
277.08640	21.2
278.09406	3.1
279.10220	3.2
281.11725	9.5
282.08994	3.4
283.09610	4.3
285.11237	11.2
289.08569	5.4
291.10059	13.4
293.11920	3.4
294.08966	2.9
297.11246	25.9
303.10294	2.7
309.11157	25.2
310.12033	4.8
310.99365	2.5
315.12296	27.6
320.10352	2.9
321.11157	13.0
322.11795	2.4
323.12805	3.6
335.12848	9.9
347.12613	5.5
377.78995	2.6
439.15234	3.1
459.17941	3.3
469.16452	4.2
471.17844	10.1
489.19046	24.0
501.18765	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	519.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	35.8
57.03436	7.5
57.07070	27.8
58.55987	4.5
61.02950	4.9
67.05500	61.4
69.07065	86.4
71.08615	25.3
79.05487	9.4
81.07053	81.7
83.08619	68.9
85.10165	10.1
86.09708	8.6
93.07021	41.9
95.08593	100.0
97.06529	23.9
97.10161	61.0
104.10762	44.2
105.11051	5.7
107.08579	28.8
109.10129	64.2
111.08071	9.7
111.11704	30.4
121.10110	78.7
123.11677	8.7
125.09647	5.3
129.83281	4.7
135.11667	54.0
139.11194	6.0
146.98170	20.3
149.13254	23.9
151.14767	5.9
163.14853	7.2
167.31662	5.1
191.17879	5.3
247.24290	34.8
265.25229	99.5
283.26382	9.0
313.09479	5.1
339.29001	92.9
357.29965	57.0
501.33493	9.5
519.32434	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	519.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	32.3
57.03429	6.7
57.07069	26.2
66.44299	3.1
67.05495	60.8
69.07052	79.0
71.08618	22.0
71.72826	3.4
79.05475	14.8
81.07045	79.2
83.08607	74.8
85.06514	5.8
85.10181	6.5
93.07026	35.6
94.78050	3.4
95.08588	85.0
97.06522	14.7
97.10151	53.8
99.08073	3.4
105.06995	3.8
107.08586	34.1
109.10131	41.7
111.08035	5.5
111.11693	20.5
121.10107	86.1
121.35998	4.5
123.11693	16.0
135.11659	68.2
139.11124	4.8
140.03366	3.5
149.13229	36.9
154.80798	3.6
167.82594	3.9
172.93021	4.3
191.18011	4.3
247.24208	33.8
265.25165	100.0
283.26239	15.2
331.85828	4.2
339.28885	86.7
357.29874	64.1
501.34076	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	519.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61589	0.3
55.07021	0.4
60.07912	0.3
60.08152	4.9
71.07338	0.3
73.28221	0.3
85.18102	0.4
85.32366	0.3
86.09683	20.3
87.09988	0.4
101.22745	0.3
104.10744	0.8
124.99972	10.7
147.13356	0.4
173.91074	0.4
184.07292	100.0
185.07552	3.5
439.45908	0.5
500.11914	0.5
519.35596	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	520.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38793	1.0
52.67912	1.2
58.17197	1.2
59.94152	1.3
76.70883	1.1
89.06019	2.7
91.35021	1.2
130.04131	1.7
133.06482	1.5
137.05981	7.4
147.04451	5.1
150.06755	1.5
161.05975	6.6
162.06731	33.9
163.07454	2.2
174.06696	3.0
175.07561	1.4
177.05452	1.8
183.06685	1.4
186.06738	2.0
191.08653	2.5
219.07979	6.7
223.07578	2.6
233.09521	1.7
234.06813	2.1
234.10193	1.9
235.07483	2.6
236.08136	1.4
237.09091	3.2
246.06885	1.8
247.07541	11.1
248.08295	5.8
249.09058	2.7
251.06996	2.4
251.10526	2.9
252.07767	5.9
252.11444	4.9
253.08540	5.7
261.08969	3.1
262.09848	7.0
263.07071	2.5
265.08496	11.5
267.10162	1.6
275.07153	6.5
277.08545	2.9
278.09354	2.3
279.10251	13.2
280.10849	5.8
281.07986	3.2
284.10654	1.4
285.11197	2.8
290.09225	2.2
291.10098	5.0
297.11130	10.6
300.13498	2.0
307.09604	7.4
308.10217	9.2
309.11212	8.0
310.11792	9.2
310.55237	1.5
325.10611	82.6
328.12918	12.1
339.12274	1.9
340.12997	100.0
358.14017	49.8
439.11478	1.4
452.75900	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	520.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
56.26348	0.9
57.03435	0.9
60.50186	1.0
62.49639	1.0
69.03421	11.4
69.03729	1.1
73.02898	1.4
73.06548	2.0
73.62826	1.0
78.03429	2.3
81.03410	18.8
85.02896	12.0
96.28237	1.0
97.02878	10.5
99.04430	4.6
101.84531	1.2
106.02901	62.1
109.02876	18.4
124.03934	100.0
125.63640	1.3
126.12761	2.3
127.03929	11.3
145.02750	1.3
145.04906	1.4
177.05429	5.8
178.22319	1.0
181.92342	1.2
194.08147	2.0
250.07013	17.3
268.08102	36.0
286.09177	1.5
397.83029	1.2
430.13416	42.8
520.20203	12.2
544.90594	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	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.05023	0.5
58.06586	0.6
60.08168	12.9
66.49464	0.4
67.05481	2.0
69.07079	0.5
69.31200	0.5
71.07347	2.6
74.68446	0.4
81.07043	2.4
81.95996	0.5
86.09705	43.7
92.62133	0.5
93.07018	0.7
95.08611	1.1
98.98449	0.9
104.10744	87.4
109.10140	0.6
115.07273	0.5
124.99995	18.9
150.87140	0.5
163.01541	0.9
175.65154	0.4
184.07329	100.0
274.03571	0.5
314.16592	0.6
370.21677	0.5
401.42197	0.5
426.25705	0.6
502.32535	3.9
520.33954	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	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94136	0.4
53.00303	0.3
55.05505	0.4
56.23858	0.3
58.06594	0.5
60.08161	10.3
60.53721	0.3
67.05477	1.8
69.07043	1.9
71.07361	0.9
81.07030	2.2
83.08569	0.5
86.09695	33.8
95.08581	2.6
97.10163	0.5
98.98438	0.4
104.10734	71.2
107.08546	0.4
121.10097	0.6
123.11641	0.5
124.99986	17.1
135.11714	0.5
180.95050	0.4
184.07315	100.0
234.10524	0.4
300.05710	0.4
313.99136	0.4
436.79153	0.4
502.33035	4.6
520.33936	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	521.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03400	5.1
81.17941	1.1
91.05470	4.4
109.06516	1.6
115.05437	1.9
119.04914	1.8
122.03599	1.7
131.04919	3.9
137.05972	100.0
145.06442	1.6
147.04442	1.8
149.06012	1.8
151.03911	2.1
151.07507	12.5
158.89792	1.3
159.04402	1.8
159.42769	1.1
160.05188	7.7
161.05971	1.5
163.07500	1.1
175.07513	20.8
187.07425	3.8
197.31140	1.0
199.07533	14.3
201.05435	5.6
202.07710	1.1
203.07014	4.3
203.08672	1.4
211.07469	1.9
219.06561	4.3
221.22684	1.0
225.09296	1.2
231.08133	2.1
236.02933	1.1
237.93530	1.0
241.08586	1.4
243.06500	3.9
259.09717	5.1
263.10568	2.6
291.10089	1.5
295.09619	1.8
299.09195	1.7
307.09616	1.8
317.08105	1.2
320.10526	1.2
321.07806	1.5
321.11279	3.7
323.12759	1.3
335.09137	1.4
349.10724	7.2
365.10327	2.1
367.11551	4.4
369.11847	1.3
379.11636	4.6
383.11490	2.1
411.87827	1.1
443.13617	1.2
473.15863	2.3
485.15970	1.3
503.16708	2.2
521.18152	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	522.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41801	0.3
54.25841	0.3
55.01876	3.0
56.16570	0.4
57.03437	3.5
58.83390	0.4
61.02924	14.4
62.62572	0.5
69.03424	12.8
71.05004	0.9
73.02908	8.0
81.03410	2.3
85.02899	100.0
87.04467	0.8
91.03947	36.1
97.02883	35.3
99.04448	6.9
101.02367	0.6
103.03984	1.9
107.93037	0.5
109.02872	6.7
115.03922	5.0
127.03903	60.8
131.60742	0.4
132.84286	0.5
142.12852	0.6
145.04948	46.2
162.07564	0.6
163.05989	36.9
180.08685	0.8
181.82793	0.5
259.08145	0.7
271.08252	0.8
282.14081	0.5
289.09241	3.1
325.07324	1.0
325.11246	32.5
343.12405	3.2
408.91818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	4.9
71.07347	0.5
86.09696	22.0
98.98415	0.5
104.10727	2.2
119.09168	0.3
124.99987	10.7
150.97559	0.3
184.07317	100.0
185.96545	0.3
206.45302	0.3
216.00008	0.3
233.58678	0.3
323.28058	0.3
418.93353	0.3
418.99884	0.3
504.34583	1.6
522.35449	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	522.3548
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
58.56754	0.6
60.07877	0.7
60.08158	12.0
61.52215	0.5
62.71406	0.5
65.22867	0.6
66.37332	0.5
66.83316	0.5
70.03656	0.5
71.07352	1.2
86.09693	35.5
88.47135	0.5
97.10158	1.1
97.22118	0.6
104.10731	88.0
118.19090	0.6
123.11662	0.7
124.99982	13.2
138.19537	0.7
167.88144	0.6
178.09976	0.6
184.07307	100.0
193.51047	0.6
200.17131	0.6
260.67603	0.7
273.35098	0.6
282.52313	0.6
288.02020	0.6
303.23846	0.7
319.48770	0.6
339.28821	1.3
504.34406	8.2
522.35486	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72661	1.9
60.08163	8.0
69.07059	2.0
74.84840	1.7
77.29694	2.0
81.07039	2.0
83.08650	1.7
86.09688	32.2
92.17399	2.4
95.08630	2.2
104.10726	54.1
112.99982	2.4
124.99984	14.4
169.02654	3.0
184.07303	100.0
197.38815	2.2
367.32275	2.1
390.84604	2.2
522.35419	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
57.03439	1.7
57.07072	43.6
60.08150	8.1
67.05488	12.8
67.15195	1.4
69.03412	8.6
69.07060	11.1
69.41833	1.3
71.04956	1.7
71.08618	36.1
81.03389	2.9
81.07047	23.6
83.08611	16.2
85.02905	12.8
85.10159	29.0
86.09689	31.0
92.16811	5.1
93.07005	1.6
95.08588	39.9
97.02875	8.7
97.10153	6.4
98.69416	1.4
101.33831	1.5
104.10725	67.0
109.02867	6.0
109.10138	19.2
122.50739	1.4
123.11692	7.2
125.00005	14.4
127.03896	8.5
137.13188	2.2
145.04953	2.9
149.13213	1.8
166.84860	1.4
168.97969	1.7
184.07297	100.0
185.13126	1.4
187.42877	1.4
208.84335	1.5
229.92299	1.4
239.23645	10.8
313.27307	7.8
331.28162	3.3
383.28067	11.8
401.28876	66.7
405.65509	1.5
481.32919	10.6
504.34482	5.5
522.29785	4.8
522.35767	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	523.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21998	2.7
55.01859	20.1
75.00319	3.7
91.05461	6.9
92.16829	7.0
105.07047	6.0
119.04939	20.1
121.06536	5.4
123.04391	5.7
131.04865	3.0
133.02821	10.8
133.06496	13.7
137.05969	21.5
147.04393	60.6
149.05946	15.7
161.05945	49.9
175.07520	6.4
177.05437	4.9
179.07013	100.0
191.21567	3.3
203.07047	25.3
225.09143	3.7
233.08098	4.5
267.10080	3.8
277.08374	3.5
298.12195	4.3
310.11816	12.1
325.10715	12.7
328.12985	16.3
404.15805	2.9
410.56485	3.0
493.18790	3.6
505.18985	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01857	1.4
55.05255	1.3
55.05505	22.9
57.19114	0.9
60.72399	1.0
63.73437	0.9
65.49740	1.0
67.78013	0.9
69.03416	16.7
71.04959	6.0
72.29573	1.1
73.02888	1.5
73.06539	69.3
75.37419	0.8
78.64805	1.6
81.03398	92.3
83.01338	1.1
83.04958	5.6
83.59834	1.1
85.02882	28.4
87.04445	1.6
87.82819	0.9
90.29192	1.0
92.52602	1.3
92.55967	1.0
97.02869	44.7
99.04423	33.7
101.05992	100.0
103.03915	17.0
106.02941	1.3
109.02851	55.8
109.23354	1.1
111.04408	1.5
115.07578	2.0
117.05453	2.0
124.03905	4.9
127.03879	67.6
132.04393	1.1
145.02870	1.2
145.04898	7.4
153.09097	6.6
157.08513	6.0
162.05444	84.8
163.03828	1.5
164.03287	11.0
169.04900	1.8
169.08611	1.6
174.05411	1.7
177.05409	4.7
178.04889	1.1
181.08521	26.2
187.05986	10.9
188.03375	74.9
199.09596	7.5
206.04504	9.9
217.10648	5.2
224.05510	7.3
235.05858	1.4
235.11678	5.7
253.07094	1.8
259.11627	5.6
265.15115	1.2
268.08075	2.4
277.12732	5.2
289.09235	2.3
296.01569	1.4
301.21472	1.1
325.12866	4.0
325.61676	1.1
332.07452	10.9
343.13974	2.0
350.08459	12.5
361.14725	2.6
368.09634	5.6
385.14594	1.7
403.15826	6.8
411.67154	1.1
421.17023	26.9
505.18701	6.3
523.20166	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	523.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.0
57.07089	2.2
69.07055	0.7
71.08623	2.7
81.07066	1.2
83.08617	1.1
85.10165	1.6
95.08582	1.4
97.10149	1.1
102.05704	0.3
109.10168	0.4
125.09614	0.6
168.07953	0.4
189.11273	0.3
211.09430	4.0
221.22762	0.3
267.12122	1.2
313.27258	2.3
444.04294	0.3
523.36005	100.0
543.42462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71327	0.3
51.11979	0.3
64.15719	0.4
67.64786	0.3
71.54677	0.4
76.31461	0.4
85.02892	0.6
91.05452	3.7
95.04954	1.7
98.04397	0.4
105.04523	0.4
105.40002	0.4
109.02010	0.4
119.04916	11.3
121.06451	2.9
123.04401	35.5
127.03909	0.4
136.07556	100.0
147.04388	15.1
165.05435	96.5
182.08087	81.3
549.11151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3702
Annotation	enantio-PAF C-16
Peak:m/z	Relative Intensity
57.07041	0.3
60.08152	3.8
65.85179	0.2
67.29603	0.3
70.33788	0.2
71.07338	1.2
86.09689	22.2
91.79548	0.2
98.98430	0.5
104.10731	2.5
108.56021	0.3
109.57591	0.2
124.99980	10.8
128.80281	0.2
129.75888	0.3
143.37746	0.3
151.97479	0.4
154.27588	0.3
175.50888	0.3
184.07301	100.0
277.30936	0.3
392.98035	0.3
432.64975	0.3
499.53708	0.4
506.36243	0.6
524.37024	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	524.3704
Annotation	PAF C-16
Peak:m/z	Relative Intensity
57.07067	3.1
58.06578	0.6
58.81932	0.5
60.07906	0.7
60.08162	12.9
63.33450	0.5
66.81033	0.5
71.07351	1.2
71.08601	1.1
77.30025	0.5
85.10173	1.1
86.09692	36.5
95.08611	0.7
104.10728	85.5
124.99974	13.9
146.10527	0.6
147.13409	0.7
184.07304	100.0
195.05550	0.6
248.06371	0.6
341.30386	1.2
506.35880	5.4
521.40204	0.6
524.36993	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	525.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96410	0.3
79.21491	0.4
95.04966	0.4
107.04944	1.6
123.04433	0.6
125.05969	0.8
135.04387	0.7
137.05922	0.5
147.04410	1.6
149.05965	1.8
150.06752	1.7
151.02631	1.0
151.03862	27.6
151.04802	1.0
153.01781	18.7
153.05447	1.8
163.03899	0.6
177.05440	1.8
178.02681	0.6
178.06215	8.5
195.06483	2.0
196.07292	2.1
213.05356	3.0
218.54608	0.4
220.17802	0.4
241.04857	15.5
254.05687	0.9
255.06424	13.7
256.07230	15.5
258.05161	0.7
269.04340	3.9
270.05170	4.9
271.05984	0.8
273.07455	4.6
283.05984	3.4
284.06702	66.3
286.04636	7.0
287.05414	5.7
298.04865	0.5
299.05432	39.0
300.06241	2.4
300.66379	0.4
301.03595	1.1
301.07022	6.0
311.05396	9.1
312.06189	4.9
313.03510	0.6
313.06958	1.7
314.04239	1.7
315.04895	19.0
315.08505	0.8
316.05759	6.4
329.06458	46.1
329.51422	0.4
330.07230	5.2
331.08026	58.5
343.07938	1.0
344.08896	2.2
435.90952	0.4
493.11267	0.6
495.12878	1.5
525.13800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77682	0.9
71.13101	1.0
83.47552	0.9
85.72018	0.9
91.05441	4.6
99.13708	1.1
111.89588	1.1
119.04924	15.4
121.06474	2.0
137.05952	1.3
147.04373	100.0
154.06226	1.2
160.83511	1.1
161.64862	1.1
167.06972	5.9
175.03844	1.4
179.06972	17.6
181.04941	22.4
181.08589	1.7
184.43109	1.2
193.44275	1.3
207.06461	31.2
213.09146	1.4
238.75822	1.1
241.08459	2.4
269.08112	2.1
301.10638	4.4
304.57474	1.2
329.09854	7.3
333.13254	11.6
361.12729	23.2
525.13300	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	525.1748
Annotation	Thielavin H
Peak:m/z	Relative Intensity
51.89159	2.2
54.44881	1.9
67.34941	1.9
71.01343	4.1
79.05460	2.9
91.05474	2.1
95.04944	25.6
98.39868	2.3
101.20013	2.8
107.04932	10.2
109.06477	2.6
114.09136	4.1
121.06472	13.0
123.04391	19.8
125.05945	3.5
133.02721	2.5
135.04399	12.1
137.05971	25.1
146.03586	4.6
147.04420	3.5
149.05937	25.3
150.06734	3.7
151.03877	100.0
151.04967	3.9
153.05423	10.0
161.05914	4.4
163.03949	4.5
163.36293	2.5
165.05428	4.6
177.05414	13.9
178.06203	27.8
179.03319	16.8
189.05431	11.1
195.06494	12.8
196.07259	8.9
220.98004	2.3
239.07040	10.6
243.10193	4.3
251.06921	3.3
267.06387	31.5
269.08054	4.2
271.09662	3.2
271.82483	2.6
279.06610	2.7
283.09595	9.8
299.08997	25.5
301.10629	3.6
311.09091	5.8
443.48077	2.8
477.15292	5.4
507.16241	3.6
525.17291	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	526.212
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07047	2.8
72.04510	2.9
76.61900	2.1
85.25243	2.1
86.94758	2.0
90.05524	69.2
91.62769	2.6
97.02831	2.1
98.02390	2.5
103.03882	2.3
103.07525	2.8
109.02835	3.6
116.03409	12.6
124.07571	2.7
127.03876	7.4
162.05402	2.6
183.91801	2.4
184.09669	24.1
202.10687	32.1
220.11720	100.0
526.20685	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	526.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36307	0.9
85.02885	1.3
86.77458	1.1
91.05457	2.4
97.02865	1.2
99.55003	1.0
105.07001	9.5
107.04948	1.6
109.02850	2.4
112.16269	1.0
119.04957	1.2
121.06438	2.5
122.06182	1.0
124.03961	1.7
125.05922	1.6
127.03874	1.6
131.04953	1.1
131.87790	1.1
133.06450	15.2
135.07993	1.3
137.05884	7.7
149.05949	8.3
150.06743	6.1
151.07526	6.3
153.08997	1.3
162.46278	1.1
163.03874	2.1
163.58446	1.2
165.09071	14.4
167.07018	10.6
177.05438	7.0
179.06958	2.4
181.08527	2.5
184.09608	1.8
193.08562	100.0
202.10556	1.4
209.08034	19.4
211.09610	78.9
218.33958	1.3
328.13773	1.5
364.15781	1.7
526.28754	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	526.313
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	10.5
60.22213	1.5
61.05039	1.8
67.39465	1.5
75.84663	1.8
76.82301	1.7
84.20630	1.8
86.09683	31.8
104.10719	84.2
118.89400	1.6
124.99981	17.0
130.60463	1.7
138.09978	1.8
151.95624	1.8
184.07288	100.0
290.92422	2.1
324.38895	2.2
508.29929	2.2
526.31342	62.9
534.09436	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	526.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71869	1.3
52.17059	1.5
53.51106	1.3
60.08153	9.3
60.61158	1.6
61.01040	1.5
70.53090	1.9
86.09696	24.6
97.31393	1.5
104.10735	83.3
108.15222	2.0
110.16013	1.7
121.22781	1.8
125.00018	8.3
125.90936	1.6
126.31300	1.7
132.51651	1.5
134.75060	1.6
184.07321	100.0
191.82317	1.9
226.79041	1.9
285.24197	2.8
442.52808	1.7
450.29639	2.3
468.30777	63.4
479.35709	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1544
Annotation	Salcolin B
Peak:m/z	Relative Intensity
60.35421	0.1
63.43934	0.1
63.92665	0.1
80.57244	0.2
153.01741	0.2
178.02582	0.2
191.79578	0.2
270.05182	7.6
286.04675	1.1
287.05389	2.1
298.04657	0.4
299.05301	0.2
301.03412	0.8
302.04031	0.3
315.04941	21.6
316.05743	9.2
316.09415	0.4
331.08066	100.0
527.15424	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	527.1537
Annotation	Salcolin B
Peak:m/z	Relative Intensity
52.83625	0.7
63.52216	0.7
68.79395	0.7
72.17675	0.7
75.09573	0.8
77.32767	0.8
114.09103	0.8
151.32373	0.9
162.21497	0.8
232.44008	0.9
270.05081	7.5
287.05463	1.2
315.04904	22.3
316.05807	8.5
331.08066	100.0
501.23090	1.0
502.42285	0.9
527.15186	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	527.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68853	0.6
55.81958	0.5
58.06599	8.6
59.07383	8.6
60.08176	6.5
60.21978	0.6
60.48925	0.5
62.75978	0.5
66.63780	0.5
67.53612	0.5
69.07066	0.8
71.07370	1.0
81.07033	0.9
81.30891	0.5
86.09706	22.4
94.37170	0.6
95.08599	0.6
100.12240	0.5
104.10741	79.7
105.31763	0.6
109.10149	0.7
125.00011	8.6
129.05489	0.6
168.15067	0.6
184.07330	100.0
185.65556	0.7
203.85870	0.5
222.08917	4.1
224.10194	0.6
238.08316	2.3
256.09448	5.4
258.11060	0.9
299.11417	1.1
312.12027	5.7
382.19788	0.9
394.49762	0.8
410.22849	0.7
452.27274	0.7
466.29379	0.9
492.30951	2.5
494.32245	2.5
495.32950	3.1
510.31866	24.1
518.29041	0.8
527.32312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01847	2.2
69.03431	1.2
71.04973	2.4
73.02900	1.4
81.03407	10.6
85.02902	4.3
87.04453	0.6
94.52553	0.6
97.02869	30.2
99.04440	21.2
103.03920	0.7
109.02859	100.0
124.10772	0.5
127.03888	34.9
127.46551	0.6
145.04945	11.2
151.47710	0.6
158.79810	0.6
163.16583	0.7
164.68451	0.5
169.04919	1.2
177.89793	0.6
187.05954	2.2
205.07031	38.6
229.06798	1.0
248.44582	0.6
269.49359	0.6
289.09161	3.9
311.54672	0.6
341.61319	0.6
425.45236	0.6
463.64328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01870	2.0
57.03418	0.9
68.12533	0.4
69.03416	2.1
71.04965	0.9
72.75322	0.5
73.02908	2.4
78.63108	0.4
81.03423	8.0
81.81644	0.4
85.02886	3.4
97.02879	29.5
99.04443	18.0
103.03957	0.5
106.22753	0.5
109.02865	100.0
117.05487	0.6
127.03905	22.9
142.08499	0.4
144.02470	0.5
145.04950	9.3
148.94296	0.4
159.38283	0.5
164.03282	0.5
169.04974	2.0
176.03418	0.6
187.05956	0.9
188.03444	0.7
205.07047	33.3
231.16850	0.5
289.09225	2.2
366.08401	0.5
539.08203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01537	0.6
60.08161	11.0
69.07040	0.8
71.07360	1.4
75.17023	0.7
81.07043	2.8
83.08618	0.8
86.09697	30.8
95.08592	1.3
99.80793	0.7
104.10734	78.3
109.10126	0.9
125.00000	13.5
170.65628	0.7
184.07318	100.0
347.32489	0.8
510.32056	3.6
528.32904	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	529.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29613	0.8
57.90694	0.7
66.12713	0.8
67.09909	0.9
68.99800	0.8
72.65584	0.9
81.03419	10.7
89.03902	2.1
89.24125	0.8
99.04452	9.0
101.60738	1.0
106.35817	1.0
109.02867	10.3
117.03345	1.5
127.03882	8.5
133.73750	0.9
135.04417	9.8
145.02849	9.5
163.03876	100.0
164.95250	1.0
169.04927	58.2
182.27774	1.0
212.22774	0.9
238.02525	1.1
271.05963	1.5
289.07013	1.2
296.96204	0.9
331.08115	6.7
451.28308	1.0
529.13269	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	530.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71344	1.2
57.20075	1.3
59.73428	1.3
61.20839	1.5
69.03409	9.3
81.03397	7.3
85.02909	3.9
85.71837	1.4
90.70344	1.4
97.02853	6.7
99.04433	2.3
107.16438	1.6
109.02849	12.6
123.19355	1.6
127.03900	8.5
131.77892	1.4
132.04466	1.6
149.05946	13.7
152.01010	1.5
152.85429	1.7
162.05460	100.0
164.03406	13.4
169.04915	2.1
177.05457	3.6
188.03389	94.4
194.79964	1.4
205.12177	2.3
206.04485	11.5
220.41856	1.5
224.05524	7.3
257.19861	1.7
258.21368	1.6
281.21536	2.2
308.09073	1.9
332.07678	10.3
350.08612	14.6
368.09573	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2435
Annotation	Eurycomaoside
Peak:m/z	Relative Intensity
50.63446	1.1
53.03931	1.6
59.05002	1.6
61.02909	2.2
64.90592	1.4
67.05491	2.4
69.03419	10.4
71.04967	1.8
71.89938	1.2
73.02897	1.3
76.49515	1.4
81.03422	2.7
81.07056	2.1
83.04979	2.3
83.08585	2.3
85.02889	48.0
85.06525	3.3
87.98350	1.4
95.08582	24.6
97.02876	19.0
99.04448	13.4
103.03928	44.8
103.62481	1.6
105.06989	2.3
107.08596	6.1
109.02872	14.5
109.06513	2.1
111.08033	1.9
113.06011	2.1
114.47955	1.6
119.08549	3.0
121.06479	2.3
121.10112	7.7
123.08046	16.3
123.11679	1.9
127.03899	57.0
131.08603	2.2
133.05238	1.5
133.10121	6.6
135.11713	3.3
137.09612	3.0
143.08525	2.4
145.04930	18.7
145.10078	2.2
147.08026	2.6
147.11671	8.5
149.09592	88.1
151.07451	1.7
159.11681	2.9
161.09555	1.8
161.13237	9.7
163.06073	12.6
163.07292	2.5
165.12700	6.5
171.11629	11.6
173.13147	2.5
174.10341	2.0
175.03809	5.5
177.08978	1.4
185.13171	1.8
189.12740	24.8
199.14822	2.2
207.06534	2.2
207.13779	100.0
239.13971	2.2
243.26683	1.4
248.54604	1.6
279.16788	1.6
285.18533	1.8
297.18375	2.4
307.10199	10.3
315.19562	3.2
333.20505	6.0
351.21405	10.9
369.22760	10.7
440.99820	1.6
513.26593	2.1
531.28119	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	531.2918
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
71.61012	2.1
73.16448	1.7
78.33347	2.0
91.18932	1.9
108.06401	2.0
119.25893	2.1
141.05420	1.9
192.20525	1.8
531.29163	100.0
531.37262	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	532.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.0
57.03433	3.1
57.07071	3.7
61.02917	3.5
62.89563	2.2
67.05505	71.3
69.07059	14.6
70.38024	2.3
79.05489	42.0
81.06606	4.0
81.07050	86.4
83.08603	14.8
85.02888	10.8
85.06511	4.1
90.24959	2.3
91.05460	18.2
93.07030	64.4
95.08592	80.5
97.02868	5.3
97.06547	3.2
97.10152	3.6
98.09674	57.0
105.07021	21.5
107.08582	54.0
109.06523	3.1
109.10147	46.6
111.08048	3.3
113.09592	2.5
117.07014	10.3
119.08554	27.0
121.10127	72.1
123.08050	3.9
123.11700	23.9
131.08539	23.2
133.10121	21.1
135.11673	55.0
137.13286	8.3
145.10126	22.6
147.11656	18.7
149.13239	35.5
151.83795	2.5
159.11655	22.9
161.13237	18.6
163.14842	21.2
173.13248	34.1
175.14778	4.5
177.16342	4.4
187.14815	10.1
188.07446	2.8
201.16327	3.5
243.21010	29.5
261.22113	98.2
263.24088	2.5
335.25668	20.7
353.26807	100.0
517.48035	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	533.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78895	1.1
55.93377	1.5
77.03909	1.5
84.45831	1.6
91.05457	9.3
95.06976	1.8
103.05454	15.9
105.03355	1.6
105.07021	19.5
106.04170	14.2
115.05467	3.3
117.03329	2.9
118.04102	1.5
119.04938	23.5
119.08546	2.1
121.06474	8.6
131.04907	30.5
132.05705	7.9
133.06470	33.9
143.06085	1.8
147.04382	97.6
149.05949	36.5
159.08008	1.4
160.05135	1.6
161.05936	61.5
163.07550	1.8
173.84384	1.8
177.05428	100.0
179.07022	6.3
191.06989	2.8
192.07832	8.7
193.08546	33.5
207.06522	5.9
215.07034	6.0
249.09059	2.5
265.21216	1.6
337.10526	13.0
369.13284	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	533.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	3.1
72.04520	3.1
85.02884	3.1
90.05537	6.0
90.07183	2.4
95.89702	2.3
96.08110	3.0
97.02853	2.4
106.06541	27.6
108.08111	9.8
109.02847	10.8
116.03423	5.5
121.06462	2.9
123.06783	2.9
124.07562	29.7
127.03915	5.7
134.05991	33.8
136.07535	9.2
142.08533	3.0
152.07034	93.7
162.05507	3.2
163.08636	3.0
170.08041	47.4
179.04970	2.6
184.09659	10.1
188.03398	4.2
199.06082	3.4
202.10591	18.2
214.01958	2.3
370.71371	2.9
403.16931	11.3
533.23389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2942
Annotation	Roehybridine
Peak:m/z	Relative Intensity
51.79756	1.7
55.05512	2.5
60.08149	3.0
62.53421	1.5
63.98709	1.5
67.05503	7.5
76.97791	1.6
79.05451	2.2
81.07027	12.5
83.08626	2.7
85.02905	1.8
86.09686	29.3
92.17375	3.0
93.07027	2.3
95.08601	11.1
97.10142	2.4
104.10719	100.0
105.07018	2.4
109.10157	7.3
121.10145	2.7
123.11687	3.7
127.50648	1.8
135.11678	1.8
146.37160	1.8
147.11642	2.7
165.66504	1.7
167.58804	1.8
184.07390	3.1
237.48758	1.8
245.22581	3.9
263.23709	9.6
264.31400	1.9
337.27298	6.3
475.22223	17.8
534.29492	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34872	1.1
51.54263	1.3
55.44643	1.1
60.08154	11.4
65.32932	1.1
71.07366	1.4
74.74977	1.3
78.44712	1.3
86.09689	43.3
86.24922	1.3
93.07071	1.6
95.08549	1.7
104.10724	84.5
124.99992	11.3
184.07306	100.0
534.31757	62.1
534.38489	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	534.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	8.5
60.36501	0.8
71.07344	1.4
71.08628	0.8
86.09685	33.6
104.10722	63.4
113.29778	1.0
124.99975	11.6
141.24542	1.1
184.07295	100.0
276.36783	1.1
437.62738	1.0
464.27618	1.2
516.30432	3.9
534.31769	49.3
545.71716	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	535.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
79.85389	1.7
99.56770	1.8
110.84704	2.0
121.02831	14.3
153.64294	1.8
193.15843	2.3
283.06210	2.3
285.57327	1.9
294.05261	3.9
295.05975	60.3
295.08990	3.2
307.05939	40.3
308.06836	10.3
309.07449	9.8
313.07245	2.5
319.05899	3.9
320.06744	3.4
321.07513	48.7
323.09222	2.6
325.06989	50.2
329.08093	3.3
333.07443	21.5
334.08221	2.0
335.09082	14.8
336.06207	3.8
337.07007	56.9
339.08676	3.6
345.07489	16.6
347.09311	2.3
348.06271	2.6
349.06989	84.3
349.10977	3.8
351.08609	27.3
355.08029	4.7
361.06964	42.2
361.10892	3.0
362.07465	3.2
363.08633	38.9
367.08148	9.9
371.09369	3.0
373.06995	30.2
375.08551	22.8
377.10162	4.4
379.08069	100.0
381.09866	2.8
387.08408	13.6
389.10306	7.7
391.08072	77.1
393.09683	4.1
397.09113	11.0
399.08514	10.8
403.08063	23.7
405.09665	19.4
409.09171	36.2
415.07962	21.1
417.09665	16.3
421.09308	7.3
427.10245	25.4
430.84360	2.0
433.09033	43.7
445.09033	32.4
451.10043	15.3
463.10181	11.5
469.11276	36.2
481.11359	38.7
499.12277	78.2
502.65512	2.0
517.13422	73.2
519.81915	2.2
535.06470	4.1
535.14392	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	535.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89041	1.6
79.38540	1.7
91.05453	7.3
95.57456	1.8
100.85307	1.9
103.05449	18.7
105.07085	2.7
107.04967	3.8
109.06492	2.1
117.07045	2.0
119.04919	15.9
121.06505	3.0
124.08536	1.7
131.04912	82.3
133.06496	8.6
137.05974	100.0
145.02837	12.6
147.04393	50.8
149.05966	4.1
151.03894	6.9
151.07507	8.6
155.04839	2.3
161.05968	10.8
162.06656	2.0
163.07515	16.1
175.07469	6.8
177.05466	19.6
185.05965	3.4
187.07556	4.2
191.07042	7.5
203.07027	3.2
209.07964	2.7
217.08572	2.9
225.09036	3.0
249.09042	3.5
253.08586	2.9
259.07605	2.9
263.07117	2.0
264.07666	1.8
265.08536	4.3
276.07886	2.3
277.08609	11.8
278.09381	4.4
278.69901	1.9
287.07028	2.7
291.10196	3.8
293.07855	2.7
294.08954	2.4
295.09857	2.4
305.08005	8.3
307.09482	3.0
309.11200	15.6
318.08923	2.2
319.09644	7.9
321.11115	2.8
337.10779	15.4
341.13684	2.0
351.12277	7.6
358.03931	2.0
395.12708	2.7
427.15338	10.8
437.13959	2.4
455.14844	11.0
457.16592	2.1
469.16632	11.8
475.17288	9.2
487.17389	34.6
499.17505	10.1
505.18350	10.8
517.18732	2.3
535.18811	3.0
535.32483	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	535.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.1
63.23454	0.8
91.05456	1.8
95.04930	1.2
103.05421	1.6
107.04899	4.0
109.02829	1.1
109.06470	1.0
109.59119	1.0
114.09129	1.9
119.04897	6.0
121.06492	1.3
122.03589	3.5
123.04398	1.3
131.04880	12.6
133.06419	3.8
135.07986	1.0
137.05948	100.0
143.04918	2.1
145.02849	1.7
145.06482	2.0
147.04382	9.2
149.05957	6.3
150.31711	1.0
150.64500	1.0
151.03876	4.5
151.07524	4.4
155.04837	1.4
158.66701	0.8
160.05219	1.0
161.05939	17.1
162.06755	3.9
163.07457	6.3
165.05498	1.3
167.06902	1.0
171.04431	0.9
172.05159	2.1
173.05919	1.3
175.07520	10.4
177.05444	8.6
179.07062	1.6
185.05949	11.4
186.06754	1.2
187.07478	7.1
189.05524	4.0
191.07004	6.1
194.07257	1.3
199.07515	0.9
201.05420	3.5
203.07007	7.7
203.08597	1.0
206.07121	1.0
207.07968	1.2
215.06970	11.5
219.08031	1.5
221.05954	1.5
221.09500	1.4
227.10425	1.0
231.08017	5.6
233.05846	1.2
233.07890	1.0
234.06737	2.0
237.09074	4.6
247.07486	6.1
248.08344	3.9
249.08978	8.8
251.07037	1.0
253.08522	4.0
259.07510	5.3
260.08264	1.8
261.09076	1.8
262.06155	1.8
263.06931	4.1
263.10529	1.1
264.07675	1.6
265.08472	14.5
267.10162	1.3
269.08139	1.3
273.08954	3.7
275.06961	1.7
276.07693	6.8
277.08536	12.5
278.09280	1.9
279.06476	1.8
279.09933	3.6
280.07349	1.5
280.10541	0.9
281.08136	1.6
282.08997	1.2
283.09589	7.0
285.11212	5.5
286.06186	1.2
287.06970	5.7
288.07669	4.2
289.05081	1.2
289.08530	5.8
290.09021	2.7
291.10043	9.5
292.07233	1.3
293.08096	3.5
294.08887	3.7
295.09717	1.7
297.11353	8.3
301.08389	9.1
302.09250	4.1
303.10159	3.8
304.07260	3.7
304.10715	1.2
305.08023	21.7
305.11304	1.7
306.08862	4.8
307.09454	8.0
309.11124	6.0
313.08163	1.2
315.12274	8.8
318.08698	3.9
319.09509	21.2
320.10410	1.3
321.11166	2.1
322.08377	1.9
330.08716	1.7
331.09616	3.8
332.10364	1.3
333.11108	6.8
337.10599	41.3
339.12140	1.7
345.11157	5.5
348.09836	3.8
351.12173	15.7
363.12228	23.5
365.11569	1.1
375.12073	4.2
377.11786	1.5
381.13229	5.3
391.09595	1.2
393.12912	4.3
395.12692	1.3
410.11487	1.6
413.13165	1.1
423.12012	1.4
425.13815	1.8
427.15427	3.9
437.13608	4.1
455.14755	4.6
457.16373	7.0
469.16351	13.1
475.17474	6.5
487.17352	30.2
499.17422	18.0
505.18619	8.4
517.18414	11.1
535.19836	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	535.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70411	3.1
54.33392	3.2
55.01859	19.2
69.03394	3.5
69.90816	3.7
81.03437	3.8
91.05457	7.4
103.05452	4.9
105.07027	6.2
119.04926	5.4
121.06470	3.8
131.04913	6.3
135.11699	3.6
137.05960	100.0
146.54788	3.7
147.04414	19.0
147.08006	4.7
149.05936	14.1
151.03845	7.6
155.04779	4.3
160.05225	7.1
160.07327	4.5
161.05931	38.7
162.06741	4.6
163.07581	6.6
172.05173	21.3
173.06052	6.9
175.07556	24.5
177.05420	29.1
179.06961	14.6
185.05913	36.0
187.07539	6.0
188.04666	7.8
201.05473	23.9
203.05219	6.8
203.06981	88.1
203.08720	4.6
215.06995	28.8
231.94878	3.8
233.08086	5.2
247.07536	4.7
249.09264	3.7
265.08670	5.1
277.08530	16.2
278.09485	6.4
279.10107	5.0
283.09494	6.1
283.72681	4.8
290.05740	16.2
292.07568	4.5
293.07651	4.3
305.08151	25.5
307.09491	9.1
312.51355	4.0
321.11237	5.0
323.12680	4.9
325.10245	6.2
337.10657	27.0
340.12952	6.3
345.11102	4.2
355.11856	7.3
358.13812	4.8
363.12457	8.5
381.13437	24.6
454.14963	4.3
457.15851	6.8
487.17468	16.2
491.16348	4.2
505.18509	16.9
517.17468	15.5
535.19574	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	536.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88004	0.4
55.62484	0.3
55.66062	0.4
58.06615	0.4
60.07856	0.5
60.08155	8.7
67.05491	0.7
71.07347	2.3
81.07037	1.0
86.09689	30.4
88.08596	0.5
93.07005	1.0
95.08590	0.7
104.10726	56.1
124.99970	13.6
134.03117	0.4
140.96834	0.5
142.20180	0.4
161.00146	0.5
161.95258	0.5
184.07301	100.0
352.89114	0.5
500.31052	2.9
518.32355	44.5
536.33276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84898	0.6
54.73862	0.5
55.57776	0.7
57.03431	1.0
57.95235	0.6
58.06606	0.7
60.08167	11.7
67.05502	1.0
69.07067	0.9
71.07341	1.8
78.20547	0.7
80.22507	0.6
81.07053	0.9
86.09697	36.9
93.07008	0.9
95.08637	0.9
104.10738	100.0
124.99995	19.2
145.66718	0.9
146.80690	0.8
160.27997	0.7
165.03175	1.1
176.65999	0.7
184.07326	85.6
242.58214	0.7
518.32465	3.2
536.33441	54.0
543.00061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61845	0.2
52.50307	0.2
54.57071	0.2
56.05027	0.2
57.56236	0.2
58.06601	0.5
60.08160	8.3
67.05490	1.1
69.07045	0.3
71.07355	1.6
73.24944	0.2
73.60144	0.2
74.37978	0.2
78.71846	0.2
81.07048	1.2
86.09691	29.9
93.06998	0.3
95.08586	1.0
100.54554	0.2
104.10728	55.8
113.09633	0.3
115.57545	0.2
124.99972	13.1
146.30011	0.2
184.07301	100.0
248.79927	0.3
258.11078	0.3
307.44592	0.3
327.33359	0.3
438.72272	0.3
518.32385	3.5
536.33356	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	536.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.5
56.64114	1.6
56.86909	1.9
57.03429	4.6
57.07079	23.5
61.02907	2.9
67.05499	36.5
69.07056	42.4
71.08618	11.2
75.04465	2.3
77.73300	1.5
79.05472	7.5
81.07045	47.6
83.08608	55.1
85.02885	3.5
85.10162	8.6
86.09686	8.9
92.16873	3.6
93.07043	18.5
93.51804	1.9
95.08590	66.5
97.02892	2.5
97.06503	8.7
97.10153	45.3
99.08112	3.3
104.10748	14.4
104.59182	2.2
107.08578	20.3
109.10152	34.7
111.08069	8.2
111.11681	13.2
113.09592	2.2
117.60289	2.2
121.10121	60.7
123.11684	11.2
125.00112	1.6
125.09605	2.5
125.13272	2.0
126.03752	2.1
135.11655	52.1
137.13255	7.2
149.13248	21.0
151.14813	3.8
153.12695	3.3
163.14810	4.5
165.16367	2.5
177.16345	3.2
184.07361	17.4
205.19475	3.1
229.09305	2.0
247.24153	24.0
265.25171	67.7
283.26294	11.3
294.31659	2.0
339.28854	89.3
357.29938	100.0
483.35785	2.1
501.34116	3.6
536.37219	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	537.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12464	0.6
56.12262	0.7
65.03966	0.9
69.03414	1.0
79.05505	1.0
81.03410	1.6
85.02898	1.6
92.04977	1.2
92.20426	0.7
96.08110	3.6
97.02866	1.2
99.02797	0.7
106.06547	31.7
108.08115	11.8
109.02891	3.2
109.05260	0.7
120.08119	1.0
123.06797	3.2
124.07579	22.5
127.03892	1.7
134.06012	24.0
136.07611	5.6
152.07056	86.4
153.07841	1.1
153.35426	0.6
160.07541	10.0
162.05493	34.1
162.81017	0.7
164.03419	14.0
170.08105	33.3
178.05014	1.4
188.03410	38.1
206.04587	1.0
249.47205	0.7
269.09222	0.9
293.09094	1.5
295.10831	2.7
321.08636	1.0
341.91937	0.7
519.16095	2.7
537.17126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
60.99815	0.9
62.15588	0.7
75.64322	0.8
79.05474	0.9
81.32795	1.1
91.05470	4.1
95.04949	1.1
98.38667	1.0
103.05453	0.8
105.07005	8.8
107.04943	4.4
109.06505	1.2
115.05416	3.7
115.34450	0.7
119.04905	4.7
119.08616	1.2
122.03589	3.9
128.06187	0.8
131.04930	5.2
133.06450	11.3
137.05951	100.0
145.06487	1.2
147.04373	7.9
147.08012	1.9
149.05936	3.9
151.03874	2.0
151.07523	1.0
155.05026	1.0
159.07996	4.9
161.05946	19.6
162.06810	1.4
163.07571	1.2
167.06955	1.2
172.05179	5.0
175.06049	1.6
175.07495	23.7
179.07005	1.8
186.06754	1.8
187.07506	17.4
189.09015	1.0
190.07661	1.5
191.08559	4.5
199.07536	9.2
203.08530	4.7
205.10095	1.8
215.00224	0.8
215.08461	1.5
216.07722	1.7
217.06497	1.7
217.08539	2.0
218.07204	4.0
219.08038	9.1
221.09602	4.5
231.08009	5.5
232.08755	1.5
233.09622	7.9
235.07344	1.8
235.11191	1.2
237.09038	1.2
245.05923	1.3
246.06651	4.4
247.07518	7.3
248.08302	4.2
249.09123	6.9
250.09621	1.2
251.10616	23.9
259.07474	4.3
260.08206	3.7
261.09003	10.0
262.09943	1.1
263.10733	3.6
264.07785	1.7
265.08585	4.0
276.07553	3.2
277.08499	6.5
278.09393	5.8
279.10059	11.0
289.08557	5.4
290.09283	1.2
291.07040	1.4
291.09933	10.3
292.10931	3.2
293.11520	6.6
295.13425	1.5
296.10416	1.1
297.11081	1.6
307.09543	1.4
308.10202	1.5
309.11108	28.6
311.12662	23.4
315.12213	1.7
321.11115	20.6
323.12753	6.9
335.12808	1.3
459.17496	0.9
501.19046	1.0
537.20941	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	537.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38918	1.0
58.15993	1.0
58.59649	0.9
59.65210	1.1
59.65504	1.0
77.72655	1.0
84.66917	1.2
84.70649	1.0
91.05482	1.1
94.04160	1.4
97.89617	1.0
105.07007	2.5
107.04935	1.8
109.06474	1.6
119.04978	1.3
119.08598	2.6
122.03663	1.7
129.06998	4.8
131.04921	2.6
132.05739	1.6
133.06480	4.5
137.05968	100.0
145.02858	1.2
145.06470	2.2
147.04451	2.4
147.08063	2.1
149.05940	1.6
151.03877	2.3
151.07526	2.3
159.07971	1.7
161.05948	15.6
171.07916	1.3
174.06691	1.5
175.07521	29.0
177.05415	1.5
187.07504	6.9
189.09100	1.5
193.08614	5.6
194.07234	1.7
199.07626	2.2
217.06638	1.3
221.05922	2.5
222.06749	4.7
225.09065	1.8
231.08066	2.3
237.09071	8.0
249.09052	2.6
250.06248	1.4
253.08447	1.6
265.08572	22.6
267.10147	4.9
275.10696	1.5
277.08600	2.0
282.08588	1.8
283.09515	1.6
285.11255	5.9
291.10083	1.6
294.08630	1.6
295.09772	2.7
297.11160	21.5
303.09897	1.2
305.08139	1.4
315.12460	1.5
321.11298	1.7
323.12936	1.6
459.17960	13.3
471.17932	12.2
489.18863	6.8
501.18579	5.0
519.19940	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	537.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59501	0.9
71.65725	0.8
88.96944	0.9
103.05458	21.3
105.07047	3.7
107.39523	0.9
111.04485	1.1
114.09158	6.3
131.04915	100.0
133.06459	5.0
137.05975	20.3
141.05455	1.1
144.19904	1.0
147.04393	1.8
151.03893	1.6
161.05986	9.8
163.07535	23.8
163.76262	0.9
175.07529	1.0
177.05475	1.8
179.06982	2.0
182.64566	1.0
187.07515	1.9
203.16888	1.0
209.08018	1.6
304.01935	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	538.3498
Annotation	CHEBI:132286
Peak:m/z	Relative Intensity
60.08164	10.1
71.07362	3.6
81.07068	1.5
86.09701	39.7
90.97894	0.8
92.17476	0.9
95.08593	2.0
104.10741	84.7
124.99979	13.7
125.00606	0.8
125.93712	0.9
150.29716	1.0
184.07317	100.0
186.05060	1.0
205.68538	1.2
258.10876	1.2
335.43985	1.0
520.34003	19.3
533.52704	1.1
538.35028	42.2
538.81720	1.7
540.41180	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	538.3497
Annotation	1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine
Peak:m/z	Relative Intensity
53.10165	0.3
53.71234	0.3
55.05523	0.4
56.94049	0.5
58.06580	0.8
60.08162	9.8
67.05482	0.4
69.07034	0.8
71.07349	0.9
74.85191	0.4
77.81844	0.4
81.07035	1.5
86.09695	30.0
95.08585	0.6
98.98429	0.4
102.52334	0.5
104.10732	75.7
106.45106	0.4
107.08507	0.4
109.10177	0.5
123.11713	0.7
124.99986	14.1
163.01514	0.8
184.07307	100.0
189.20723	0.4
219.51494	0.5
255.32813	0.4
424.44250	0.5
456.13580	0.6
498.21127	0.5
520.33929	5.3
534.92828	0.4
538.34973	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	538.3499
Annotation	CHEBI:132285
Peak:m/z	Relative Intensity
60.08158	11.0
67.05482	0.6
69.07063	0.6
71.07364	2.5
79.01710	0.3
81.07051	1.6
83.08584	0.4
86.09692	31.9
95.08608	1.4
95.18098	0.4
104.10732	81.5
107.08588	0.5
107.91022	0.4
109.10146	0.8
124.99977	14.6
155.95171	0.4
163.01494	0.9
184.07309	100.0
232.50478	0.4
238.57286	0.4
300.83179	0.4
437.15051	0.5
457.12598	0.4
502.32376	2.6
520.33905	45.0
538.34882	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	538.3494
Annotation	1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine
Peak:m/z	Relative Intensity
55.60657	0.7
56.05001	0.7
60.08157	12.2
70.06558	1.0
71.07368	1.0
77.58405	0.7
86.09686	34.8
89.33570	0.8
95.08587	1.6
97.49262	0.9
104.10725	95.9
124.99982	17.2
125.98572	1.1
134.26039	1.0
184.07303	100.0
225.41681	1.0
266.04575	0.9
286.18018	1.0
349.70233	0.9
520.33936	4.1
538.34943	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	538.3491
Annotation	1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine
Peak:m/z	Relative Intensity
50.81030	0.4
60.08154	5.6
64.99440	0.3
69.42306	0.3
71.07336	0.9
81.07020	0.5
84.74295	0.4
86.09682	24.7
104.10719	22.4
124.99107	0.6
124.99964	11.1
140.76741	0.4
184.07289	100.0
239.77019	0.4
255.20999	0.4
520.33844	3.2
538.34943	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	538.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76306	1.0
52.86031	0.9
55.05511	1.1
56.05042	1.9
57.03450	1.2
58.06595	14.6
60.08157	12.0
67.05499	4.9
68.05041	1.3
69.07079	2.5
71.07366	1.1
81.07066	6.1
83.08629	2.2
86.06061	70.6
86.09697	32.0
88.07615	1.0
89.07198	1.1
93.07050	1.4
95.08618	5.9
98.98478	1.3
104.07110	8.7
104.10738	100.0
109.10142	1.3
113.00021	1.3
113.01410	1.0
124.99995	20.8
135.11740	1.3
182.84891	1.1
184.07315	77.5
199.22281	1.2
227.40927	1.2
230.62357	1.2
257.88583	1.1
337.27298	12.9
502.29602	5.1
520.30011	9.4
538.35284	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	538.35
Annotation	1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine
Peak:m/z	Relative Intensity
52.84016	0.6
60.08157	13.0
67.05491	1.0
67.10431	0.6
71.07367	2.8
72.47278	0.8
81.07041	1.3
86.09692	33.8
87.03006	0.9
95.08556	0.8
104.10729	77.8
118.02830	0.9
121.18419	0.7
124.99967	15.8
184.07310	100.0
229.77602	1.0
238.09271	1.0
438.50964	1.1
452.29575	1.0
520.33929	5.0
538.34955	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92121	0.7
55.05504	2.1
56.93034	0.7
57.00428	0.6
57.03427	4.2
57.07069	3.9
58.06596	1.2
59.73373	0.7
60.08167	0.9
62.70107	0.7
67.05489	3.7
69.06704	1.7
69.07061	38.7
71.04975	3.3
71.08606	0.9
76.72768	0.7
79.05496	1.4
81.07050	12.5
83.04967	3.6
83.08612	8.7
85.02888	3.4
86.06055	7.9
86.09708	1.7
91.77624	0.8
92.17420	1.4
93.07037	11.9
95.08584	13.7
97.05934	1.3
97.06519	19.3
97.07453	0.9
99.08104	0.8
104.10756	6.1
107.08572	13.0
109.10129	6.2
111.08060	6.9
111.11703	8.5
114.06590	0.8
114.10280	3.0
114.12729	1.5
115.07529	3.0
124.99969	1.0
125.13218	0.9
135.11681	78.3
153.12723	100.0
171.13766	53.8
184.07297	11.9
189.14822	14.5
202.43121	0.9
243.94336	3.6
341.26682	11.0
359.27829	18.9
538.34521	4.2
554.91058	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	538.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.5
57.03425	4.1
57.06806	4.1
57.07067	82.7
57.19214	2.3
67.05486	19.0
69.03415	13.5
69.07063	21.4
70.33769	2.8
70.35931	2.9
71.08620	70.6
81.03404	5.2
81.07045	46.9
83.08597	25.0
85.02892	17.6
85.10164	48.7
95.08592	63.7
97.02884	12.6
97.10161	29.5
109.02846	3.7
109.10138	40.2
111.11710	5.5
112.08730	4.1
114.37516	2.8
123.11663	21.7
127.03867	5.9
137.13226	4.8
145.04944	5.1
220.59802	3.1
253.63155	3.8
267.26834	13.8
280.03458	3.5
291.30847	3.9
341.30331	35.7
346.17810	3.8
347.11423	3.4
359.31458	36.4
411.30786	16.6
429.26495	6.3
429.32016	100.0
429.37784	4.1
460.95837	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	539.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07725	0.9
57.19388	0.7
76.64397	0.8
79.47000	0.7
80.81253	0.8
94.04138	1.1
109.06415	0.9
119.04941	0.8
122.03613	1.9
130.58562	1.0
137.05945	100.0
149.05957	1.1
151.03914	1.6
151.07536	5.0
163.07547	1.4
175.07437	1.7
189.09041	1.3
199.07491	1.0
213.09068	1.7
223.64685	0.9
259.09583	4.5
261.11136	3.1
277.08514	1.3
291.10257	1.7
295.09692	1.0
297.11295	1.0
309.11380	1.0
317.11630	1.2
321.11258	1.6
349.14069	1.1
367.15436	7.9
379.15228	3.4
397.16443	4.5
485.20203	1.0
491.20541	1.5
497.54959	1.1
503.20471	6.4
509.21259	1.1
521.21362	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	540.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61509	1.7
61.18190	1.9
68.32591	2.2
69.03411	12.3
81.03397	8.4
85.02890	25.9
88.07378	1.9
97.02885	9.0
97.97344	2.0
99.04488	2.3
106.02898	37.2
109.02859	8.4
124.03918	100.0
124.34651	2.1
127.03889	11.9
181.58990	2.2
186.31473	2.0
186.71770	2.1
203.14473	2.6
213.74229	2.3
218.45126	2.0
250.07033	9.9
251.40550	2.1
268.08142	48.9
378.11740	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	541.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36421	5.7
67.05502	10.8
67.63585	5.8
72.04507	14.9
77.40421	6.7
78.03790	9.6
81.07051	8.9
86.63285	6.7
95.08596	12.0
102.03773	29.9
107.08559	7.6
130.91321	6.2
131.06354	25.3
132.04810	13.4
140.97772	8.3
142.08640	9.2
147.11749	7.1
149.07419	47.2
178.61832	6.6
411.30362	100.0
523.35858	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	542.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34859	1.3
52.07399	1.4
69.03417	3.2
72.08344	1.8
77.24622	1.5
80.61627	1.6
81.03394	1.8
82.70158	1.6
85.02868	5.6
91.05426	2.3
93.03412	3.3
94.00122	1.7
105.07054	17.4
106.02880	8.2
106.04146	3.1
107.04941	2.3
119.04947	2.3
121.06505	8.1
122.75328	1.7
124.03941	8.0
125.05977	2.6
127.03872	2.7
131.04909	2.0
133.06464	19.4
137.05966	21.7
147.04364	2.5
149.05936	19.0
150.06723	11.3
151.07542	8.9
153.09094	3.2
161.05913	2.0
163.07526	9.4
165.09079	13.1
167.07008	16.1
175.03809	2.8
176.07295	2.1
177.05424	13.0
179.06993	2.6
181.08606	8.9
189.09135	4.2
190.09425	3.0
193.06819	3.3
193.08585	100.0
201.09105	3.6
207.06554	2.2
209.08069	36.5
211.09630	90.4
219.10124	27.5
220.10492	20.8
221.10725	10.7
223.04256	10.1
292.67923	1.7
327.15692	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	542.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.3
57.03415	10.5
57.07063	10.1
63.15257	9.0
67.05490	55.9
69.07046	14.4
71.81950	11.8
77.65174	9.8
78.58491	10.0
79.05476	15.8
81.07032	50.2
83.08593	49.9
89.53629	9.4
91.05520	11.3
93.07034	12.9
95.08597	48.9
97.10123	75.8
103.71120	8.5
105.82356	9.0
105.96992	10.7
107.08579	17.7
109.10150	17.8
118.14812	9.2
119.08514	12.2
125.09593	91.5
128.08141	12.4
139.50017	10.1
171.10083	15.8
189.11180	50.0
227.12709	61.0
245.13841	60.3
309.50327	11.3
337.27286	100.0
507.36670	62.1
549.37488	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	543.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33371	0.4
60.56945	0.4
63.93798	0.4
77.93454	0.4
81.52262	0.4
111.41849	0.4
168.31340	0.4
381.07892	2.9
540.64569	0.6
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	543.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18986	0.6
58.02101	0.7
65.85056	0.7
71.60645	0.6
81.03407	3.5
84.59214	0.7
89.03925	0.7
99.04415	4.7
109.02879	5.4
117.03339	5.5
127.03888	3.8
145.02820	46.1
149.05943	3.2
163.03857	15.3
169.04929	21.2
177.05434	100.0
263.87036	0.7
285.07593	1.7
303.08618	3.1
345.09625	9.7
395.54279	0.9
543.14813	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	543.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	3.5
57.28398	2.8
63.21375	2.8
63.86882	3.1
66.64784	2.9
74.21066	3.1
89.05994	14.5
91.00319	3.1
133.08638	4.2
197.76114	3.6
201.43852	3.1
203.84598	3.2
232.71806	3.6
350.91879	4.6
490.18710	3.4
543.35022	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	544.2234
Annotation	Zeatin-9-glucoside-O-glucoside
Peak:m/z	Relative Intensity
55.01876	4.4
69.03426	10.2
69.07055	4.8
72.04507	23.9
73.02908	11.0
81.03394	11.8
85.02892	18.2
85.06512	4.8
86.09686	4.3
87.08031	4.7
90.05537	93.1
95.04963	5.2
97.02885	18.2
98.02393	6.2
98.10197	3.0
99.04453	4.5
100.03996	4.3
103.07558	3.2
109.02871	42.9
110.09727	2.5
116.03440	37.9
117.26974	2.5
124.07565	24.0
127.03918	31.9
131.06967	2.3
132.06537	15.7
132.30836	2.9
137.05910	4.7
138.05495	3.6
142.08629	12.2
145.04970	5.5
160.09711	12.6
162.05417	3.8
166.08615	4.7
172.09668	6.1
174.11253	13.4
184.09680	62.1
185.50484	3.0
187.05907	2.8
199.06090	14.1
202.10724	99.0
211.09666	6.0
216.08582	6.2
217.06853	7.6
220.11743	72.0
234.09703	10.9
252.85626	2.6
262.12894	10.2
328.13776	30.4
346.15051	12.2
364.15988	100.0
382.17004	50.4
526.21057	4.0
544.93939	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	545.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
53.37414	0.4
57.32668	0.4
65.03926	0.4
67.01853	2.2
73.08754	0.3
74.20784	0.3
76.61854	0.4
81.03413	0.9
91.05481	4.6
97.02879	0.4
99.04440	0.7
99.73540	0.4
109.02885	5.9
117.03374	0.6
119.04924	18.5
127.03895	6.3
129.10840	0.4
131.04871	0.5
137.05952	0.5
145.02858	8.4
147.04388	19.8
149.05989	0.5
157.03981	0.8
175.03885	74.3
177.05457	13.9
179.07001	0.7
203.03625	0.5
205.05003	0.5
207.06505	100.0
225.07556	0.6
239.34624	0.4
243.38274	0.5
247.15135	0.4
333.09677	14.5
545.09021	0.6
545.16528	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.2
61.02904	2.2
67.75843	1.1
69.03411	6.0
73.02862	1.0
73.06548	16.1
85.02893	68.9
86.09692	100.0
88.04016	1.2
91.03870	1.2
93.85134	1.5
97.02878	13.8
99.04449	1.5
109.02868	7.2
125.05341	1.1
127.03890	17.3
132.10175	48.9
145.04938	30.5
148.21611	1.2
163.05975	10.6
177.20580	1.3
244.48593	1.3
251.33360	1.5
253.12764	34.3
325.11230	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	547.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62611	0.3
79.05474	1.6
79.60098	0.4
91.05459	7.1
95.21658	0.3
97.18888	0.3
107.04938	6.2
119.04926	22.8
124.05170	0.7
125.05923	0.5
141.06927	0.5
147.04388	100.0
152.04575	0.3
167.07045	3.4
170.07246	1.5
179.78963	0.3
186.06799	1.4
187.07544	0.4
200.08250	0.7
201.09036	3.0
216.07826	1.5
229.08571	3.4
231.08008	1.4
231.10158	4.1
233.09587	1.3
234.10364	0.4
235.11171	0.6
235.55179	0.4
245.09636	0.6
247.07439	0.7
248.08301	2.4
249.09167	0.4
259.07605	0.5
260.08392	0.5
261.09042	0.9
262.09790	2.8
263.10651	2.1
265.08463	0.8
275.06937	2.0
276.07703	2.5
277.08572	0.9
279.10046	0.5
289.08487	0.7
290.09323	3.1
291.10110	4.4
292.10764	0.6
293.08084	2.6
305.08017	0.7
307.09576	3.4
308.10355	3.2
319.09628	1.6
320.10428	0.5
321.07492	2.2
321.11215	0.7
322.11804	1.2
323.09177	0.5
323.12756	2.3
325.10608	0.8
335.08969	0.7
336.09808	1.5
337.10739	2.7
340.13068	0.5
350.11325	0.4
351.12149	4.4
353.10095	5.0
368.12607	2.5
383.14807	41.2
517.18512	1.3
547.19312	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	547.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42839	0.2
59.49048	0.3
65.03913	0.3
72.56714	0.3
78.91312	0.2
79.05476	1.6
91.05473	5.7
91.56063	0.3
102.98904	0.3
107.04945	7.0
119.04922	20.8
119.44231	0.3
124.05193	1.1
125.05974	0.4
141.06924	0.6
147.04388	100.0
152.04614	0.3
158.07257	0.5
166.06195	0.3
167.06999	5.7
169.06404	0.4
169.71945	0.3
170.07237	1.8
177.05351	0.3
181.08578	0.4
186.06735	1.8
187.07500	1.3
198.06746	0.3
200.08347	1.2
201.09059	2.5
216.07809	1.5
219.08020	0.5
220.08786	0.3
229.08528	3.1
231.07945	1.7
231.10147	4.2
233.09517	0.5
235.11366	0.3
245.09642	1.2
247.07507	1.4
248.08264	2.6
260.08319	0.3
261.08987	1.4
262.09909	1.8
263.08041	0.3
263.10568	3.2
265.08630	0.6
275.06998	1.6
276.07809	2.6
277.08578	1.6
277.11792	0.3
278.09393	0.5
279.10184	1.2
280.10828	0.3
289.08615	0.5
290.09338	3.4
291.10132	4.8
292.10925	0.4
293.08038	3.3
293.11319	0.4
304.07565	0.4
305.08087	1.2
305.11710	1.1
307.09677	2.9
308.10364	3.4
309.10950	0.5
315.08728	0.4
318.08948	0.6
319.09616	1.5
320.10464	0.5
321.07635	2.5
321.10928	0.5
322.08286	0.6
322.11871	1.0
323.12732	1.7
325.10657	1.5
335.09155	1.5
336.09705	1.9
337.10593	3.9
338.07687	0.6
340.12982	0.5
350.11374	1.2
351.12250	4.4
352.13004	0.6
353.10153	5.7
368.12537	4.9
383.14828	50.1
411.14462	0.6
488.69852	0.3
517.18549	1.3
527.09222	0.3
547.19806	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	547.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79855	2.7
74.47919	2.8
77.13387	2.7
88.11978	2.7
90.83234	2.7
91.05456	6.7
107.04961	3.9
119.04906	24.3
122.36386	3.3
123.76711	3.0
143.68604	3.0
147.04391	100.0
201.09061	3.6
207.06540	5.3
293.08179	3.8
337.10739	4.1
341.17081	3.4
348.92520	4.0
353.10065	5.5
383.14838	52.0
397.58313	3.6
410.91821	3.2
429.98083	4.5
447.72855	3.4
545.30463	3.8
547.21295	3.7
547.36334	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	547.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70670	2.7
52.61552	2.7
55.05482	2.3
58.60323	2.1
59.06105	2.5
61.73313	2.4
69.07079	3.9
72.69759	2.9
84.09694	2.5
93.33144	3.0
95.08530	3.9
124.10896	3.2
147.04250	3.3
175.85107	3.0
211.09261	4.1
244.76999	3.1
547.35931	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	548.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
57.03437	2.2
68.15787	1.9
69.03418	19.6
69.06574	1.9
73.02901	2.1
81.03424	3.6
85.02895	30.8
91.05489	2.5
97.02882	13.3
102.04626	2.4
109.02899	4.1
119.04966	8.5
124.03917	2.5
126.03136	5.2
127.03902	19.4
129.58556	2.3
130.04141	18.7
132.05682	3.0
145.02841	3.6
147.04373	18.0
160.05247	2.9
163.03929	2.9
167.07123	3.1
167.44905	2.4
175.03894	66.4
176.04691	40.8
177.05473	19.6
180.07829	3.7
188.04672	9.5
191.03552	3.1
206.05740	23.2
207.06508	100.0
207.08376	4.1
209.04451	3.1
223.05991	8.9
224.06779	79.8
257.07211	2.5
350.10007	3.6
368.11069	42.2
386.12027	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	548.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87688	1.9
53.35052	1.6
55.05499	11.7
57.03401	3.5
57.07061	16.5
67.05489	61.9
69.07053	23.8
69.53262	2.2
71.04975	2.7
71.08604	8.8
79.05470	17.8
81.07036	100.0
83.08599	25.5
85.02917	3.7
85.10152	2.9
91.05452	10.7
93.07030	24.5
95.01313	3.3
95.08581	94.0
97.06529	3.7
97.10131	17.6
105.07001	10.7
107.08588	16.0
109.10131	60.1
111.08060	4.9
111.11729	3.7
119.08558	16.0
121.10107	30.0
123.11676	26.4
124.99881	2.1
133.10100	21.7
135.11636	18.7
137.13251	10.0
141.01759	21.0
147.11697	11.2
149.13229	12.7
151.14749	4.5
155.14223	2.3
158.97731	2.2
161.13205	21.8
163.14757	9.6
165.16316	4.3
175.14777	16.3
177.16333	2.4
179.17841	4.7
184.07268	14.9
189.16350	10.1
190.25880	2.3
213.06569	2.6
229.35173	2.2
231.16197	2.4
238.13849	2.3
244.05151	2.7
245.22566	46.5
263.23621	88.5
307.31372	2.2
336.64447	2.2
337.27173	32.8
355.28400	26.3
458.00848	2.4
468.55353	2.2
507.19971	2.7
513.30389	5.0
539.52930	2.3
548.33722	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	548.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15527	0.4
56.05029	0.5
58.06603	0.6
60.08159	11.9
67.05502	1.1
69.07068	1.0
71.07353	3.0
73.04347	0.5
80.32987	0.5
81.07043	2.7
83.08659	0.5
86.09695	38.1
95.08592	1.3
104.10734	86.2
107.51044	0.7
109.10121	0.8
121.10108	0.7
124.99979	16.4
178.05826	0.6
184.07320	100.0
258.11243	0.7
325.74918	0.7
375.75650	0.6
512.23254	0.7
530.36029	4.4
548.37042	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	549.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.7
81.03395	0.7
82.88159	0.6
85.02885	2.5
99.04453	5.5
103.03947	5.2
109.02858	3.2
113.16042	0.7
116.42162	0.6
117.05485	19.6
127.03887	6.4
137.05899	0.9
147.04391	2.6
150.47992	0.6
151.03978	0.7
153.01804	9.6
157.08548	0.7
201.07565	1.5
219.08386	0.7
221.96510	0.6
241.04764	0.8
243.06870	0.7
268.29819	0.6
271.06104	0.7
299.05441	1.4
315.05026	7.0
316.05762	10.6
329.06555	1.3
331.08087	100.0
405.11740	7.8
446.14328	0.7
487.16245	1.1
531.15131	4.0
549.15997	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	549.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03401	2.0
84.58332	1.4
85.02872	3.0
92.91026	1.5
97.02863	2.5
107.04909	2.1
109.02858	10.3
119.04910	1.8
120.04417	6.1
123.04396	7.9
127.03870	6.1
136.07524	20.8
146.05934	1.9
147.04385	7.7
162.05443	100.0
164.03377	17.2
165.05438	19.0
166.04955	5.3
169.04846	1.4
176.93901	1.6
182.08122	14.8
188.03380	91.4
190.04950	3.5
191.08110	1.9
206.04498	2.1
208.06093	2.4
224.09024	2.5
332.07611	6.2
350.08264	2.0
352.10046	6.0
368.10367	1.5
427.17081	1.5
531.15967	6.8
549.17017	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	549.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
65.03938	3.7
91.05485	20.9
93.03385	15.7
95.04929	5.0
105.03388	5.3
105.07056	3.6
107.04952	6.1
109.06495	4.3
110.03619	6.5
111.04411	19.8
114.09162	27.5
119.04914	39.9
121.06530	3.8
125.05997	23.4
129.06958	3.0
131.04938	5.2
133.06459	14.3
137.05960	6.6
145.06467	6.0
146.07251	3.9
147.04376	14.4
149.05972	20.1
151.07567	13.6
153.05449	74.6
153.09030	3.8
159.07942	6.9
160.71342	3.0
161.05908	7.1
163.03871	3.1
167.06989	50.8
174.06743	28.5
175.07515	19.1
177.05414	15.7
186.06778	4.7
187.07549	5.6
191.07011	4.7
198.06769	3.4
206.41306	3.0
209.08031	15.4
209.16481	3.4
216.07845	15.6
219.08138	3.7
229.08585	6.4
236.08295	7.2
247.07674	6.2
249.09126	5.6
251.10422	21.3
261.09113	5.3
263.07208	3.3
264.07806	19.5
265.08548	5.9
277.08658	9.6
278.09396	6.7
279.10117	15.1
289.08713	3.5
292.07202	4.0
293.08221	6.8
307.09534	46.2
308.10388	4.5
309.11075	6.9
321.11432	4.0
324.09882	3.5
339.12280	100.0
340.12888	26.4
351.12231	4.5
370.13962	6.9
433.89270	3.5
453.29703	3.1
504.69617	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	550.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78875	0.7
52.95596	0.8
55.02553	0.8
58.70967	0.7
59.06104	1.5
60.00587	0.9
60.08162	9.8
60.08420	1.3
69.03417	1.4
71.07352	1.5
72.08150	2.0
81.07043	1.6
86.06062	1.9
86.09698	20.6
90.09184	2.3
95.17087	0.9
104.10729	100.0
109.10148	1.2
114.84373	0.9
116.07113	1.3
116.10744	1.8
124.99975	15.1
134.11739	7.3
135.11632	1.4
145.39870	0.9
161.69855	1.0
164.17648	0.9
183.71509	0.9
184.07301	27.9
184.08800	1.4
202.48860	1.0
214.08369	7.9
220.03247	1.0
228.81239	1.1
532.33917	1.2
550.34973	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	550.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.9
56.53398	4.3
59.95590	3.6
66.63092	3.6
67.05487	29.9
69.07050	18.8
79.05482	10.3
79.48179	4.3
81.07047	39.0
83.08607	8.7
85.06490	4.1
89.34319	4.3
91.05481	6.1
93.07034	23.9
95.08582	41.5
97.10170	10.4
107.08569	18.9
109.10165	38.1
123.11678	9.8
125.09580	8.8
131.08607	5.6
135.11699	18.5
163.15009	4.4
189.07635	5.5
204.33836	4.9
261.22067	6.9
264.90567	4.6
353.26791	100.0
371.28064	5.6
483.31277	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	550.3857
Annotation	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.93525	0.4
52.27409	0.5
57.07059	0.6
57.80317	0.4
58.01035	0.4
59.37204	0.5
60.08152	12.1
60.95028	0.5
67.05488	0.6
69.07050	2.0
71.07356	1.7
81.07017	1.0
83.08593	1.2
86.09686	37.4
93.07000	0.7
94.89621	0.5
95.08575	1.9
97.10182	0.8
98.98424	0.7
104.10718	83.3
116.07048	0.8
119.08546	1.0
124.99973	16.0
183.50705	0.5
184.07291	100.0
215.18439	0.5
252.68852	0.5
258.10843	0.5
367.31955	0.7
532.37408	4.1
550.38550	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	551.1503
Annotation	Cefclidin
Peak:m/z	Relative Intensity
68.99077	0.7
69.03410	1.6
70.47739	0.7
72.22509	0.7
73.02924	1.0
81.03365	1.3
85.02914	0.9
91.33280	0.9
97.02872	1.9
109.02859	5.7
112.03951	1.0
120.04448	10.5
127.03904	2.0
141.48758	0.7
148.03937	8.0
162.05472	46.4
164.03391	11.8
166.04958	100.0
174.93471	0.8
178.05046	1.5
184.06018	64.5
188.03383	52.0
206.04466	1.3
223.37466	0.9
246.20784	0.9
251.42139	0.8
262.46039	1.0
287.05893	0.9
551.14990	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	551.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11305	2.0
54.15277	2.1
57.18412	2.0
57.20050	2.3
65.86655	2.0
71.38316	2.4
78.54376	2.5
82.18584	2.7
83.47006	2.5
95.04963	3.5
98.71945	2.7
104.56886	2.5
131.04901	3.7
137.05945	100.0
143.04889	2.8
147.04346	14.6
149.05930	3.7
151.03822	18.7
161.05939	5.8
163.43047	2.8
171.08060	3.3
175.07466	5.7
177.05418	3.4
184.05193	4.3
199.07513	27.5
211.07491	14.9
225.05388	11.0
228.04079	26.7
240.04059	10.7
241.08546	11.7
243.06540	31.8
248.43907	2.9
255.06421	18.8
273.07455	5.2
285.07568	6.2
295.09671	12.1
305.11499	2.9
379.11694	12.2
397.12817	31.7
409.12579	5.2
449.15640	11.4
474.76492	3.2
533.18011	11.5
551.19043	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	551.1902
Annotation	Erabulenol B
Peak:m/z	Relative Intensity
51.82402	0.3
56.37863	0.3
68.58694	0.4
68.88118	0.4
86.15220	0.4
88.39783	0.4
91.05460	5.6
91.71522	0.4
105.07021	0.8
119.04916	19.2
124.05207	0.4
131.04845	0.5
133.06468	0.9
137.05946	2.2
147.04378	100.0
151.07500	1.9
159.08078	0.5
161.05951	2.1
162.37965	0.4
172.05185	3.7
175.35681	0.4
179.06981	1.8
181.04955	1.7
189.05479	0.8
207.06456	1.4
208.07043	0.4
215.06976	2.1
228.79643	0.4
230.24088	0.4
233.08113	0.5
355.11627	1.5
355.75412	0.4
387.14240	12.0
397.32599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1911
Annotation	Erabulenol B
Peak:m/z	Relative Intensity
50.66660	2.1
52.85831	2.2
53.20792	2.0
53.62637	1.9
55.01860	9.7
72.86642	2.5
79.05471	3.3
81.03400	2.4
82.66088	2.6
84.04490	3.0
95.04969	24.3
97.33588	2.4
107.04950	17.1
112.72749	2.4
118.71628	2.5
121.06455	10.4
122.02720	3.9
123.04431	16.8
130.50829	2.6
131.04938	16.1
135.04402	17.2
137.05965	40.5
147.04393	10.9
147.08041	4.7
149.05983	10.9
151.03900	100.0
151.05067	6.3
153.05463	3.9
161.05930	10.8
163.03899	3.8
165.05519	6.1
167.06984	10.5
173.06065	4.6
175.07555	4.7
177.05475	11.1
178.06212	19.5
179.06947	3.5
195.06454	5.0
196.07321	3.0
203.06973	5.8
205.04964	17.0
205.06653	3.4
215.07005	4.0
219.08032	3.4
221.09561	4.2
225.09242	4.0
233.05914	11.3
234.06664	4.8
237.09126	4.3
247.07474	10.5
247.48752	2.7
248.08339	3.4
249.09070	5.8
251.06796	5.1
259.07480	4.8
261.08966	3.1
262.06125	3.5
264.07791	3.5
265.08435	23.9
276.07660	5.0
277.08511	16.7
281.08066	3.9
287.07141	3.5
289.08386	4.2
291.10132	9.5
293.08011	27.4
294.08728	11.3
301.21497	31.4
305.08047	17.4
306.08646	4.9
307.09631	3.2
309.11221	13.8
319.09372	24.9
323.09106	12.7
325.10587	37.0
337.10645	55.0
338.11343	5.5
485.15421	3.8
515.16284	3.6
533.17535	4.8
551.18982	17.8
551.27740	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	552.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41505	0.7
54.36286	0.7
59.96312	0.8
69.03403	7.0
81.03396	4.8
85.02888	13.2
91.00195	0.9
96.04480	1.1
97.02859	4.6
106.02892	31.0
106.03519	1.0
106.88547	0.9
109.02858	10.8
124.03919	100.0
127.03872	3.5
145.04930	1.1
154.84216	1.0
160.07538	2.0
250.06996	4.0
256.07114	0.9
268.08072	49.1
321.26523	0.8
390.13876	24.4
430.13303	1.8
552.18982	10.8
553.93207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3286
Annotation	Leueantine C
Peak:m/z	Relative Intensity
50.52645	0.6
50.82780	0.6
54.25270	0.7
57.99342	0.8
58.06577	1.3
59.07365	0.9
60.08158	10.1
67.36293	0.8
71.07355	0.7
72.63657	0.7
75.96357	0.7
81.07027	1.3
86.09686	27.1
104.10722	74.8
124.99984	13.9
126.50864	0.8
174.74780	0.7
180.18155	0.8
184.07298	100.0
288.11649	0.8
295.01062	0.9
434.22876	1.2
464.23761	0.9
516.30469	1.3
518.32147	7.8
534.31873	6.6
552.32910	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	552.3291
Annotation	Leueantine C
Peak:m/z	Relative Intensity
51.18502	0.7
60.08150	7.4
62.47429	0.7
71.07351	1.6
81.07058	1.3
83.08617	0.8
86.09692	33.3
95.04907	0.7
104.10732	72.5
107.08606	1.0
124.99976	13.2
184.07310	100.0
298.84869	0.8
299.51093	0.9
362.66122	0.9
534.31818	4.0
552.32867	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79602	0.9
53.99146	1.0
58.06580	1.2
60.08151	12.8
68.19922	1.1
71.07367	1.7
86.09692	33.1
104.10731	80.2
124.99989	15.2
184.07304	100.0
236.92883	1.3
284.84354	1.3
378.21381	1.3
414.41766	1.4
534.39020	2.8
552.40143	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	553.17
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78527	0.6
76.20457	0.7
91.05486	4.3
102.98166	0.8
119.04933	19.8
125.05981	0.9
147.04391	100.0
151.07538	1.0
155.78117	0.8
179.07072	1.2
181.04968	1.3
182.05722	1.3
192.04160	4.9
207.06459	1.5
334.72751	0.8
357.09692	1.7
389.12244	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	553.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82228	5.0
63.97985	5.4
73.02912	9.3
84.04522	9.6
95.03123	5.4
107.04999	7.3
116.48661	6.7
121.06509	8.5
122.02683	12.3
137.05975	100.0
145.61919	7.8
147.07997	45.0
149.06033	8.2
151.03906	54.3
161.05960	41.1
167.06932	6.4
175.07587	8.2
187.07568	10.9
195.06441	7.4
200.42482	7.1
215.23427	6.3
216.07767	11.7
249.09077	8.7
262.27042	7.0
277.08624	10.9
279.10001	6.1
283.09756	10.9
303.23135	48.9
309.07938	6.8
309.11053	50.1
321.11078	12.5
505.18173	32.4
523.20288	8.4
553.21716	8.5
553.29156	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	553.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81396	0.8
61.44592	0.7
63.15535	0.8
68.62525	0.8
69.03428	0.8
69.07047	4.6
79.70502	0.9
84.01389	0.8
85.02885	1.2
86.09683	42.6
86.93565	0.7
99.05549	1.7
100.03960	30.1
103.12312	4.6
112.03988	1.3
112.65266	0.8
124.03912	1.9
131.59019	0.8
145.02711	1.0
146.17143	0.8
147.04353	1.7
155.32535	0.9
159.95721	0.8
167.11754	49.4
168.10147	87.5
175.03911	1.8
177.05463	4.7
180.71950	0.9
184.14430	5.6
185.11261	0.9
185.12793	26.0
186.11261	1.1
207.06519	2.0
212.32243	0.8
233.59344	0.9
252.20613	0.9
253.19040	1.1
266.14874	17.3
267.13324	18.7
269.23245	2.0
270.21686	3.4
287.24417	4.1
292.67526	0.9
295.70032	0.9
333.22885	1.8
351.23837	16.6
352.22308	1.5
369.24878	7.4
402.42822	1.0
451.25354	1.6
472.12274	4.7
472.61093	0.8
484.64746	1.0
517.34967	1.5
535.35950	5.0
553.36957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	3.1
58.07603	1.1
58.42805	1.2
59.07374	2.1
60.08157	8.6
62.50681	1.2
63.71205	1.3
81.38725	1.2
85.26979	1.3
86.09700	25.2
89.26741	1.2
97.91376	1.3
104.10738	83.9
124.99991	9.5
126.54224	1.4
159.73029	1.3
184.07321	100.0
185.07635	1.7
256.09491	1.7
536.33344	2.7
554.34546	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	10.2
64.35770	0.6
67.05498	1.2
71.07354	1.0
73.83537	0.7
77.87058	0.7
81.07045	0.9
86.09682	32.6
90.35249	0.7
93.07022	0.7
95.08591	1.3
104.10718	81.0
107.08540	0.6
123.63164	0.8
124.99969	15.2
174.67526	0.7
180.25728	0.7
184.07291	100.0
225.63809	0.7
249.03120	0.8
271.38345	0.6
495.17847	0.8
536.33246	2.9
545.49719	0.8
554.34418	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	554.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.8
55.01485	1.6
55.05489	3.3
55.60963	1.5
57.03419	1.7
57.07068	64.9
57.11521	1.4
62.06080	20.5
67.05478	13.5
68.72005	1.6
69.03407	11.5
69.07051	16.3
71.08620	61.7
71.28468	1.7
81.03406	11.0
81.07040	32.0
83.08607	34.5
85.02883	22.9
85.10170	40.7
87.85799	1.6
95.08583	50.6
97.02858	12.1
97.10152	13.2
99.04414	2.9
99.11713	3.8
109.02866	9.3
109.10133	27.2
123.11674	13.6
125.13277	2.1
127.03880	12.2
137.13234	3.7
145.04929	2.9
166.67485	1.7
221.22443	2.0
239.23727	14.3
313.27481	2.5
331.28311	2.8
383.27820	12.0
401.28879	100.0
431.50381	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	556.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
58.71591	1.3
69.03410	8.7
70.52480	1.6
71.08622	2.1
71.58913	1.3
81.03425	12.0
83.05002	1.9
85.02897	31.2
97.02883	28.6
99.04431	17.6
101.86779	1.4
103.03930	46.9
109.02862	32.5
127.03900	100.0
137.05949	3.0
138.06296	2.0
145.04964	25.6
151.03893	2.8
163.05991	3.7
169.04910	2.7
187.05994	5.9
191.31421	1.6
271.08066	23.3
289.09241	11.7
307.10196	6.8
349.11096	2.6
415.12173	2.5
419.18808	2.5
433.13348	3.3
451.08484	1.9
451.14023	11.9
521.21893	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	556.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80817	0.3
56.18150	0.4
57.07064	0.6
60.08155	10.3
63.21814	0.4
63.78765	0.4
65.92230	0.4
67.05491	0.9
69.07039	0.4
71.07352	1.8
78.89156	0.4
81.07045	0.9
83.08588	0.6
86.09695	31.1
92.16843	0.8
95.08575	1.0
104.10731	82.4
109.10137	0.8
124.99992	10.7
150.99228	0.5
184.07309	100.0
243.77464	0.4
412.00699	0.5
491.89185	0.5
510.68295	0.5
538.35040	2.7
556.36023	56.1
568.31580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
57.11394	0.2
57.49117	0.2
68.99757	0.2
81.03409	3.3
81.19556	0.2
87.84918	0.2
89.03902	1.2
92.65416	0.2
99.04437	3.2
107.04957	0.2
109.02863	5.3
117.03356	5.2
127.03890	3.1
135.04419	0.3
145.02818	45.6
148.71698	0.2
149.05960	2.5
169.04921	15.1
175.03967	0.2
177.05429	100.0
179.60553	0.2
186.05492	0.5
190.67023	0.2
205.06857	0.2
215.07085	0.3
243.06366	0.2
285.07608	2.1
298.53900	0.2
303.08524	3.0
345.09644	8.9
486.95746	0.2
557.16315	3.0
574.26843	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	557.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
53.93067	0.2
54.81447	0.2
56.78422	0.2
61.07426	0.2
63.02353	0.3
63.85699	0.2
65.56806	0.2
68.18079	0.2
68.40247	0.2
68.99783	0.2
72.81986	0.2
79.05360	0.2
81.03413	3.2
85.12152	0.2
89.03915	1.2
99.04453	3.5
109.02865	5.3
117.03369	6.8
127.03891	2.9
134.03586	0.3
135.04388	0.4
135.89142	0.2
145.02834	50.4
149.05977	2.5
163.03859	0.2
169.04933	14.9
175.03804	0.3
177.05446	100.0
179.03299	0.2
185.05966	0.2
186.05434	0.4
188.61510	0.2
215.06944	0.3
221.04443	0.4
243.06458	0.3
285.07571	2.1
303.08603	3.2
308.69427	0.2
345.09631	6.7
367.94931	0.2
382.37366	0.2
394.61328	0.2
526.68304	0.2
548.05981	0.2
557.16663	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	557.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54580	0.6
63.48743	0.7
104.26165	0.7
118.06499	1.4
120.12310	0.7
121.11513	0.8
123.00143	1.0
127.03876	0.9
130.06616	0.8
132.08105	3.2
144.08064	6.1
144.13770	1.1
146.05980	36.0
159.09161	4.5
162.05379	0.9
170.05949	1.3
188.07027	100.0
190.14381	0.9
205.09695	34.4
511.47198	0.8
549.38385	0.8
557.23206	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	558.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20921	1.3
53.03939	1.9
55.05498	8.1
56.60985	1.4
69.03416	6.5
73.02926	1.5
73.06553	12.8
81.03419	23.2
85.02904	32.4
97.02898	30.1
98.04935	1.4
99.04453	24.5
101.06013	24.6
103.03942	49.8
105.99178	1.6
107.19749	1.6
109.02892	32.1
118.37790	1.4
127.03910	100.0
145.04958	19.0
152.98010	1.5
169.04953	2.0
177.05437	1.6
181.08578	6.7
187.06046	3.8
271.08163	9.9
289.09113	2.1
292.64270	1.4
421.17078	12.3
433.13400	7.5
451.14532	3.8
470.89496	1.8
518.45636	1.7
523.20233	23.8
533.74280	1.7
548.47571	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	558.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57176	0.8
57.50096	1.0
60.08154	4.3
60.55249	1.0
61.94476	1.0
71.07343	1.6
86.09692	27.5
86.10165	2.3
93.33818	1.1
104.10724	100.0
135.71025	1.3
166.70502	1.1
175.86130	1.3
184.07338	1.4
209.02411	1.2
275.28793	1.2
276.79861	1.3
397.86481	1.2
499.22125	15.4
558.29468	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	561.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52335	2.4
68.84985	2.5
70.02950	4.5
70.06592	38.2
71.64606	2.4
90.02430	2.6
95.06099	6.0
112.08728	14.8
112.54417	3.1
113.07143	5.2
115.08720	14.6
136.07620	2.8
146.75214	2.7
155.08133	3.2
192.24170	2.7
207.07654	3.5
217.09555	3.4
284.40652	2.6
342.14890	3.8
359.17218	4.2
384.16705	13.3
561.24200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70480	1.6
59.06488	1.6
60.99855	1.5
63.97556	1.8
91.05471	2.1
96.01164	1.9
98.43805	1.8
119.04908	8.5
133.90582	2.1
137.05916	1.9
147.04401	51.4
152.96979	2.2
160.46257	2.0
163.29126	1.8
167.07014	9.9
177.05373	2.5
245.08128	13.6
288.07764	3.9
292.06949	2.5
306.08722	16.5
307.09634	2.9
320.10333	3.5
321.11240	13.7
334.08334	9.8
335.09033	15.3
339.12134	2.2
348.10056	2.2
349.10684	11.5
350.11371	8.0
351.08536	17.0
352.09256	2.5
366.10867	24.0
367.11707	3.0
381.13248	100.0
399.14285	21.4
532.70367	2.0
563.18774	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	563.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80520	0.6
77.82690	0.7
84.74498	0.8
91.05461	3.6
103.05450	4.7
105.06978	0.9
106.40229	0.7
107.04919	1.1
108.72575	0.7
119.04910	15.1
121.06480	1.1
131.04910	4.8
145.04701	0.7
147.04385	100.0
148.05188	3.9
161.05896	3.1
163.07515	7.1
167.07024	1.7
171.06532	1.1
174.37965	0.8
176.08267	5.7
179.07101	1.8
181.04924	24.9
189.09129	4.1
191.07002	22.7
193.08630	1.3
202.06172	1.3
231.67862	0.7
245.08081	3.0
285.06210	0.7
314.09595	0.7
367.11664	1.3
371.11218	31.5
399.14307	10.3
438.29535	0.8
441.41049	0.8
460.79276	0.7
563.19104	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	565.1549
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
57.03437	2.8
60.23615	3.0
60.81034	2.4
70.09854	2.7
73.02905	5.9
81.03398	2.8
85.02905	3.6
96.68394	3.4
109.02872	4.3
118.96407	2.9
121.02847	15.9
128.00369	3.2
145.10805	3.3
198.46681	3.1
265.07080	3.0
271.05899	5.8
283.05945	93.5
283.08884	3.9
295.06064	17.8
307.05957	7.0
309.07379	25.2
313.07016	100.0
313.10504	5.9
316.40982	3.2
321.07486	5.4
323.09061	23.1
325.07120	3.7
333.07437	5.2
337.07019	44.4
347.09607	2.7
349.07135	22.6
351.08746	4.1
361.07031	15.7
367.08020	16.7
379.08063	26.4
391.07986	6.0
397.09003	9.7
405.09662	4.2
415.10110	15.3
433.11319	67.6
493.54575	3.2
529.13397	11.0
547.14160	5.2
565.15363	13.2
567.95178	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	565.1544
Annotation	Isomollupentin 2'-O-glucoside
Peak:m/z	Relative Intensity
67.38826	1.2
67.88136	1.4
81.03407	2.0
85.02865	2.5
121.02869	11.5
283.05951	10.1
294.05240	13.4
295.05923	73.4
307.05969	41.9
308.06720	6.9
309.07465	9.3
313.06857	3.7
317.08072	2.2
319.05847	2.2
321.07516	22.3
322.08139	2.2
323.05499	2.3
323.08975	3.2
325.06989	76.4
333.07510	12.6
335.05591	2.0
335.09106	9.6
336.06131	2.7
337.06970	66.9
342.11118	1.5
347.09128	13.8
349.07007	67.0
349.11124	2.9
351.08469	24.6
351.11893	1.7
355.08017	7.5
357.07281	2.1
361.06946	18.2
363.08499	16.5
365.10184	12.3
367.08063	11.4
373.06952	7.2
375.08435	12.7
377.10330	2.5
379.07999	92.2
385.06882	3.8
387.08453	7.0
389.05557	1.9
389.10098	9.3
391.08017	29.9
393.09418	1.9
397.09232	19.0
401.10400	2.7
403.08066	31.2
405.09616	10.3
409.09128	24.5
415.09589	7.4
417.09610	6.1
419.11264	8.6
421.09088	8.9
427.09460	10.0
429.09412	2.6
433.09015	20.4
439.10089	2.2
445.11191	31.4
451.10086	9.7
457.11215	29.6
469.11276	31.0
475.10034	3.7
481.11087	24.1
493.11264	9.6
499.12241	40.4
511.12350	19.3
529.13318	50.9
547.14355	100.0
565.15289	36.5
577.62744	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	565.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74736	3.3
59.95686	3.0
62.38267	3.5
67.05502	6.3
69.07050	4.7
74.18584	3.0
76.11146	4.0
79.07890	3.2
81.03378	3.9
81.07042	46.8
85.02891	15.3
87.00806	5.2
93.07012	5.7
95.08576	27.5
105.07004	29.5
107.08569	18.9
109.10147	22.8
119.08604	7.9
121.10152	6.7
123.11663	28.5
131.08569	15.6
133.10132	28.6
143.08524	8.6
144.67995	4.1
145.10110	28.1
147.04413	5.5
147.11693	19.3
149.06001	15.9
149.13264	4.8
155.08578	4.1
157.10149	6.5
159.11649	18.6
161.13272	5.3
171.11630	8.3
173.13225	5.1
180.58951	4.2
183.11662	5.9
197.13284	8.3
199.14816	14.0
201.16451	5.1
202.63707	4.2
203.10597	4.2
243.13690	4.2
243.21080	27.9
244.65053	3.9
253.19449	36.6
255.21036	47.9
271.20441	31.0
281.19110	4.8
291.71854	4.3
299.19919	58.6
317.21051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75247	0.6
57.07058	2.9
71.08617	1.5
71.62583	0.7
81.07044	1.6
86.92101	0.6
95.08585	1.2
121.10114	0.8
158.46439	0.7
159.31137	0.7
215.88687	0.8
225.10985	0.8
253.10481	0.8
313.27530	0.7
467.18250	0.7
521.38116	8.4
537.37445	4.2
565.36981	100.0
572.66254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95618	0.5
57.23455	0.5
62.06084	6.1
75.94473	0.6
77.34901	0.6
94.92993	2.7
145.05006	0.7
203.54086	0.6
205.96205	2.8
222.01953	0.9
222.98724	4.6
223.97171	100.0
224.01595	9.3
381.07837	2.7
559.92480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.2
56.38031	2.2
57.03435	3.5
57.07060	11.2
61.32578	2.3
67.05502	9.3
69.07066	43.2
71.05003	8.1
71.08626	6.0
73.25393	2.3
78.99792	2.1
79.05485	6.0
79.77786	2.6
81.07053	31.2
83.04974	2.2
83.08621	39.5
85.02900	4.1
85.25281	2.6
93.07035	19.5
95.08628	20.7
97.06522	33.7
97.10175	24.5
99.08078	2.4
107.08599	34.7
109.10152	13.6
111.08057	18.0
111.11706	14.7
115.07552	5.3
121.10139	14.0
123.11739	5.0
125.09603	10.7
129.09105	3.6
133.53928	2.5
135.11696	70.6
139.14874	2.7
153.12738	100.0
163.14799	79.2
166.24542	2.8
171.13788	43.1
181.15851	52.9
189.14868	15.1
197.44873	2.4
199.16924	62.1
217.17943	22.4
369.30127	21.8
387.31024	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69807	0.4
57.49166	0.4
59.67294	0.4
69.07049	2.2
79.05453	0.5
80.25509	0.4
96.08103	9.9
96.33360	0.4
113.10744	5.3
114.09137	48.7
114.74511	0.4
115.07607	0.6
132.10155	0.6
208.18018	1.9
209.16438	31.7
210.14867	1.6
226.19086	11.2
227.17468	5.6
228.15891	15.0
228.17999	0.8
245.18465	0.4
256.02774	0.5
321.26520	2.4
322.24799	17.0
323.23605	0.4
339.27551	7.1
340.25903	2.0
341.24350	3.4
434.34805	0.6
435.33096	7.3
452.35892	1.0
453.34061	3.8
454.65649	0.5
528.67963	0.5
548.41486	6.2
566.42633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94257	1.1
52.14160	1.2
54.90807	1.3
55.71617	1.2
63.70478	1.6
75.52272	1.5
100.54442	1.6
132.57286	1.5
150.70828	1.5
159.30611	1.3
210.86713	1.4
245.11180	1.5
252.83099	1.7
258.88818	1.5
264.98907	2.4
277.00894	2.7
282.99939	80.3
301.00986	100.0
303.00772	2.0
319.02084	2.8
382.99890	2.0
401.01016	19.7
406.99960	6.9
425.01080	31.1
443.02054	83.2
481.44193	1.7
515.49969	2.0
548.93878	3.1
549.01129	31.9
567.02216	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	567.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20154	2.0
52.04964	2.5
59.17422	2.3
65.03938	3.8
71.23801	3.0
72.75169	2.7
75.77660	2.5
79.05495	2.7
105.07053	5.8
107.04975	7.0
110.03651	3.5
111.04416	12.8
114.09161	32.2
115.09473	4.1
119.04934	6.6
122.02713	4.3
123.36220	2.6
125.06000	10.2
129.07001	6.3
131.04938	3.5
133.06479	10.9
137.05994	16.9
138.05363	3.0
147.04395	14.9
147.08020	5.0
151.03914	4.3
153.05441	30.4
159.08002	3.6
161.05966	15.6
167.07008	100.0
175.07507	25.0
179.06947	5.7
181.04922	5.2
187.07509	23.2
189.05510	5.4
191.07013	6.4
209.16376	11.3
216.07982	5.4
219.08034	5.3
226.19221	4.6
228.15906	4.8
229.08543	3.4
233.09656	5.5
249.09140	11.8
251.10593	4.4
261.09216	4.7
263.10510	3.7
264.07712	3.7
265.08389	3.2
276.07953	4.9
277.08658	11.0
278.09314	4.2
281.11801	12.4
281.18811	4.6
289.08643	3.7
293.11569	5.1
294.08994	2.9
297.65189	3.0
299.20065	4.9
304.07159	3.7
307.09692	16.1
309.11151	4.7
311.12405	3.5
319.09641	4.8
321.11221	3.5
339.12213	61.7
341.13998	20.1
351.12292	32.2
353.13843	6.7
404.68576	3.2
567.09680	3.8
567.27014	20.0
567.41785	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	567.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99580	0.9
63.86079	0.7
69.07055	3.0
76.02205	1.8
79.29662	0.7
81.07055	1.1
83.04945	0.9
84.04500	17.5
84.71506	0.7
84.94159	0.7
91.54160	0.7
93.07037	1.2
95.08585	3.5
96.08106	2.9
105.00096	1.3
105.06989	1.1
107.08580	1.7
109.06468	1.1
109.10138	1.1
111.08073	0.8
114.09155	16.0
115.09470	1.2
119.08566	2.8
121.10126	3.1
122.02727	25.3
130.04997	11.9
131.08582	1.3
133.10127	5.9
135.08037	6.1
135.11665	1.0
137.09650	1.3
142.03246	7.5
145.10098	1.0
147.04402	1.1
147.08022	15.9
147.11705	3.1
149.09631	5.4
151.03960	0.9
157.71373	0.7
159.11720	3.4
159.28008	0.8
161.09625	3.6
163.11082	1.1
169.10046	0.8
171.11703	1.6
173.09619	1.6
173.13214	9.7
175.03918	4.3
175.11093	1.7
183.11676	3.1
185.13179	1.0
187.11215	3.5
188.03732	11.2
189.12659	1.0
191.14288	1.6
197.13258	1.7
199.11197	0.9
201.12796	3.1
203.14273	1.5
207.06494	1.1
211.14816	1.5
213.16341	1.4
215.14328	9.1
225.16380	1.1
227.14282	1.5
228.15930	1.2
229.15955	0.8
233.05891	1.3
234.04262	7.4
237.16301	1.2
239.17935	1.7
241.16034	1.0
244.07927	0.8
248.15532	1.0
251.06932	9.8
253.19556	3.6
257.19080	7.2
263.17966	5.2
271.20590	5.1
281.18976	24.1
299.20016	34.1
299.23383	1.5
317.21124	8.4
321.25797	0.8
340.77499	0.8
347.34592	0.9
438.22540	1.2
467.95642	0.8
549.26312	5.4
566.92554	8.8
567.27325	100.0
567.42865	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	568.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28067	1.6
59.66323	2.0
62.64213	1.5
69.03445	6.3
81.03420	1.6
84.62415	1.6
85.02901	10.6
97.02870	3.5
100.79148	1.7
106.02906	27.0
109.02869	4.6
124.03938	100.0
148.16444	1.9
177.05475	1.9
250.07144	2.0
266.51361	2.1
266.66907	1.9
268.08093	53.1
331.08228	3.6
332.08383	4.2
406.11719	3.3
453.68030	1.8
522.11908	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2886
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.05501	0.7
62.86011	0.4
67.05489	0.7
67.21694	0.5
69.03472	0.5
69.07057	1.2
76.02201	2.3
79.05482	1.0
81.03400	2.9
81.07069	4.6
81.30095	0.5
83.08585	0.6
84.04490	14.2
88.03952	0.6
91.05451	1.1
93.06483	0.7
93.06995	4.4
95.08590	7.3
97.10145	4.1
104.05281	0.9
105.00066	1.0
105.06993	8.6
107.08582	5.4
109.06495	3.0
109.10149	3.8
111.08023	0.8
111.11630	0.6
119.08566	11.3
121.06548	0.6
121.10126	21.7
122.02699	36.2
122.03591	1.2
123.08115	0.8
123.11675	24.2
130.04977	20.1
131.08539	2.8
133.10109	14.2
135.08028	11.5
135.11678	8.4
137.09570	2.2
140.67509	0.6
141.42632	0.6
142.03207	2.2
143.08527	0.9
145.10100	6.5
147.08025	28.3
147.11671	4.9
149.09622	1.2
149.13252	6.5
151.03816	1.0
157.10135	1.2
159.08032	3.2
159.11729	4.0
161.09566	6.1
161.13231	3.0
163.11179	2.5
169.10078	1.1
171.11630	4.5
173.09641	6.9
173.13219	4.0
175.11209	2.1
175.13437	1.1
175.14789	15.6
177.12820	0.8
179.05269	1.4
183.11713	1.2
185.09654	1.1
185.13260	3.9
187.11142	7.2
187.14786	1.0
188.03729	7.0
189.12671	4.4
195.11646	3.2
197.13173	1.1
199.11163	4.8
199.14764	1.0
201.12755	3.0
209.13208	3.1
211.14749	2.6
213.12642	5.1
217.15735	0.6
223.14799	4.0
225.16292	2.3
227.14313	2.3
227.17935	0.8
229.15891	2.9
233.05830	2.9
234.04260	8.6
239.17975	2.2
241.15829	1.2
251.06918	18.9
255.21048	6.6
265.19427	14.7
283.20505	48.1
301.21558	22.0
319.22620	10.1
440.24774	2.2
533.26624	3.5
547.03082	0.8
551.18927	0.7
551.27765	30.7
569.28809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25825	1.4
55.50409	1.1
58.06591	2.5
59.07367	3.4
60.08150	3.3
66.58144	1.3
67.05471	1.5
80.23677	1.3
86.09686	23.2
86.76557	1.6
104.10728	88.7
115.53568	1.4
124.99965	8.1
175.45296	1.9
184.07292	100.0
312.11981	5.4
412.20935	2.3
452.23874	2.5
530.28156	1.9
570.33929	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	570.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35257	0.4
58.06563	0.6
58.21130	0.3
60.07854	0.4
60.08152	10.6
67.05469	0.5
69.07030	0.6
71.07331	2.2
71.08618	0.4
86.09681	31.6
91.05492	0.4
93.07011	0.8
95.08535	0.6
96.08092	0.4
104.10719	86.6
114.09113	2.7
119.04900	0.6
124.99973	12.7
137.06009	0.7
141.17970	0.4
147.04373	0.7
151.03882	0.9
153.01788	2.8
168.42305	0.5
179.07011	0.4
184.07291	100.0
241.04939	1.6
277.81766	0.4
286.04846	0.6
329.06430	3.0
371.79272	0.5
412.20901	1.8
452.24091	8.5
516.30511	0.7
534.31830	4.0
552.32739	9.6
570.33911	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	571.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08056	1.8
52.91288	1.5
66.26600	1.6
90.23871	1.8
95.08648	1.9
104.10723	2.2
139.22127	1.6
154.47046	1.6
160.26991	1.7
163.40115	1.7
172.08385	2.0
185.04153	2.0
190.13876	2.0
190.15610	1.9
203.05267	16.4
228.20512	1.9
239.16228	6.9
401.21439	20.7
529.12878	1.9
534.50385	1.9
571.34460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63171	1.9
62.25066	1.8
70.06538	1.9
82.25439	2.0
85.02905	2.6
90.61257	2.1
93.61359	2.3
109.51894	2.0
143.95007	2.4
145.02827	20.0
169.96547	2.6
173.96098	9.8
177.05437	100.0
187.97534	2.8
198.96823	2.8
209.96194	2.9
215.97156	4.0
227.97121	4.2
234.98987	2.6
249.99091	3.6
275.99271	14.2
279.08594	8.7
289.98459	14.5
392.02127	3.4
410.02859	26.7
410.11197	4.6
572.16431	32.3
581.80414	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	573.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57941	1.7
53.00301	3.0
53.92279	2.0
55.05505	9.2
56.36750	2.4
57.07080	30.5
61.34491	1.8
65.88951	2.1
67.05507	34.8
69.07060	20.0
71.08624	20.5
78.25243	1.9
79.05495	27.8
81.07053	46.0
81.18610	1.9
83.08620	11.5
85.10187	12.6
89.92268	1.8
91.04981	2.1
91.05459	14.6
93.07028	28.4
95.08600	48.6
97.06553	2.5
97.10125	4.4
99.08058	2.2
101.99123	1.8
105.07018	13.2
107.08585	26.4
109.10144	19.0
117.07030	3.0
119.08553	12.7
121.10135	22.3
123.11646	2.5
131.08537	11.2
133.10124	9.9
135.11662	12.0
145.10104	5.0
147.11679	2.7
149.13249	4.2
150.94704	2.0
159.11627	4.3
161.13258	4.2
187.14822	2.9
198.43553	2.2
214.75368	2.6
261.22192	3.0
266.42712	2.1
277.21552	3.5
313.27390	8.3
317.24768	13.2
555.43964	3.9
573.48914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1506
Annotation	Anigorootin
Peak:m/z	Relative Intensity
62.40272	0.8
63.31473	0.8
63.58028	0.8
69.03412	1.7
71.04978	0.8
73.02898	0.9
81.03411	3.5
85.02892	1.7
93.12370	0.9
97.02883	1.4
109.02838	7.7
113.02342	1.1
127.03913	4.5
132.04399	1.0
162.05464	100.0
164.03404	10.6
169.05025	0.9
178.04828	1.3
188.03394	60.7
190.04977	5.9
200.97334	0.9
204.06645	1.2
206.04387	6.1
208.05988	10.8
224.05414	3.4
332.07486	6.8
350.08560	8.2
368.09726	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	575.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71698	0.2
60.30206	0.2
62.52488	0.2
69.03414	0.3
74.01537	0.3
74.58586	0.3
88.27480	0.3
91.05469	5.1
92.52256	0.3
97.02858	2.9
112.05346	0.3
119.04925	17.1
127.03875	1.1
147.04395	24.9
157.03987	2.0
175.03879	69.9
179.06976	1.3
183.06505	0.4
192.04144	0.3
207.06496	100.0
225.07568	0.5
435.47202	0.3
575.17554	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	575.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07268	0.7
53.00301	1.0
53.03924	0.8
55.01863	1.4
55.05309	0.6
55.05509	11.8
57.07055	3.9
65.03934	1.6
67.05499	80.3
69.07056	20.2
71.04967	1.0
71.08601	2.0
71.39700	0.7
76.62842	0.9
79.05478	16.6
81.07049	100.0
83.04961	1.9
83.08614	11.0
85.06536	1.5
85.10170	1.3
89.04507	0.8
91.05469	7.7
93.07030	23.3
95.04940	1.1
95.08591	82.7
97.06499	4.8
97.10149	7.4
99.08077	2.0
104.46677	0.8
105.07034	8.5
107.08590	20.1
109.06471	1.7
109.09443	1.5
109.10139	34.6
111.08071	1.1
111.11725	1.6
116.68180	0.9
117.07012	2.0
118.17336	0.9
119.08557	7.5
121.10139	13.2
123.08021	1.0
123.11677	11.9
125.09630	1.3
127.07516	1.2
131.08531	7.4
133.10098	5.7
135.08006	1.4
135.11673	15.2
137.09570	1.0
137.13214	6.5
139.11147	1.5
145.10072	4.7
147.11671	5.1
148.59038	1.0
149.09581	3.2
149.13232	5.0
153.12708	1.3
155.10660	1.0
159.11638	1.9
161.13232	3.2
163.11172	1.1
163.14755	4.3
165.12746	1.5
173.11737	1.3
173.13229	4.5
177.12656	1.1
191.14259	1.7
195.13774	0.9
236.37605	1.0
243.21086	1.4
261.22168	4.1
279.23154	47.1
297.24231	8.1
404.63391	0.8
557.45227	4.8
575.46539	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1545
Annotation	Trilobatin A-1'-methyl ester
Peak:m/z	Relative Intensity
51.01331	10.3
52.01578	13.6
52.71093	14.0
52.88406	12.2
58.06706	12.8
72.32475	12.5
76.43668	14.0
81.03344	15.5
85.02879	21.0
122.02570	14.8
125.28166	17.9
132.97720	15.4
136.30382	15.0
137.51292	15.3
156.39072	14.6
161.62695	15.4
191.08173	24.6
210.85583	15.5
295.05911	33.5
323.05270	85.4
325.06946	85.1
337.07016	83.9
349.07196	21.9
351.08530	23.0
353.06458	74.5
361.06903	19.8
363.08420	34.7
379.08002	26.4
391.08090	30.5
409.09000	33.0
433.09561	16.1
439.89902	17.5
481.11072	59.8
511.12344	27.1
541.12964	37.1
559.14294	100.0
577.15332	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	577.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99583	2.6
67.64488	2.2
69.62486	2.2
72.34496	2.2
84.26682	2.1
89.12287	2.5
90.45464	2.0
92.17458	4.3
99.33569	2.2
103.05429	4.3
105.07011	18.8
129.43979	2.2
131.04915	26.3
133.06480	27.8
137.05940	25.1
145.02817	16.5
145.06447	3.8
149.02324	9.6
149.05998	2.5
156.98560	3.0
161.05930	51.4
165.05443	4.0
167.06985	27.6
173.05925	4.1
177.05414	28.8
180.07831	4.7
187.07465	10.2
189.05534	3.7
190.02559	10.7
191.07022	10.3
191.98206	2.4
193.08488	20.2
205.04904	100.0
217.08551	4.0
223.06012	2.5
223.10295	3.1
228.53990	2.3
233.08150	3.0
247.07460	3.3
263.07104	3.0
306.08856	3.4
307.09677	5.5
309.07300	3.2
321.07495	3.4
325.10632	3.9
337.06848	3.1
339.08633	4.5
367.11414	18.0
383.14816	9.3
385.12747	21.0
577.12213	3.5
577.20331	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32935	0.5
66.00420	0.4
77.74433	0.5
86.00540	0.6
89.03901	4.2
95.08554	0.6
95.12160	0.6
107.04935	5.7
117.03363	16.9
124.05177	0.8
125.05968	0.7
134.03583	0.7
135.04459	0.6
137.05968	5.1
141.06996	0.6
145.02826	89.6
147.04424	0.9
149.05954	7.7
158.46848	0.5
163.03896	0.9
166.06300	0.7
167.07001	5.8
170.07219	1.3
177.05435	100.0
186.06792	1.2
187.07542	0.7
198.43579	0.6
201.09132	3.5
216.07828	0.7
217.08406	0.7
229.08607	2.7
231.08023	0.8
231.10126	4.3
233.09447	0.9
247.07376	0.9
248.08212	3.8
249.09058	0.5
262.09857	1.1
263.10715	2.9
275.06961	0.9
276.07767	3.5
277.08557	1.0
289.08484	1.1
290.09467	3.6
291.10233	4.5
292.11093	0.5
293.08044	4.1
303.06390	0.5
305.08072	2.0
307.09543	3.6
308.10526	4.4
318.08612	0.9
319.09573	2.2
321.07394	2.2
322.11935	1.1
323.12790	2.3
330.10852	0.7
335.08960	1.1
336.09772	2.1
337.10583	4.3
350.11108	0.7
351.12393	4.5
353.10202	4.8
368.12552	4.4
369.12933	0.7
383.14819	52.1
490.35025	0.6
547.19556	3.1
577.20062	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	577.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65466	0.6
52.97172	0.7
54.81364	0.8
55.44826	0.7
65.18940	0.7
79.05482	1.1
89.03894	3.5
90.44847	0.7
91.80947	0.8
92.16866	1.1
102.00601	0.9
107.04939	4.1
108.12419	0.8
117.03352	15.3
126.37157	0.7
137.05966	4.5
141.08214	0.9
145.02817	83.9
147.04416	1.3
149.05939	6.3
167.06984	4.4
170.07182	1.6
177.05426	100.0
187.07495	1.0
201.09058	1.2
229.08607	1.9
231.07872	1.1
231.10027	1.8
245.09485	1.3
248.08170	1.4
262.09940	1.2
263.10571	1.2
275.06827	0.8
276.07779	1.6
277.08530	1.1
290.09338	4.3
291.10120	3.7
293.08051	1.9
305.08002	1.3
307.09567	1.6
319.09534	1.3
321.07541	1.8
323.12689	1.9
335.08994	1.2
336.09647	2.9
337.10693	3.5
351.12216	6.0
353.10101	4.2
353.39520	0.9
368.12585	1.9
383.14810	39.0
547.19165	3.6
552.99518	1.0
577.20465	1.1
577.33398	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	577.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.6
53.03894	0.4
55.05420	5.3
55.05711	1.3
57.03352	0.5
57.06979	9.6
57.07281	1.7
59.32501	0.4
66.43731	0.4
67.05398	11.0
67.05782	1.7
69.03326	0.7
69.06953	11.4
69.07362	1.3
71.08515	8.4
74.52802	0.5
75.85760	0.5
79.05375	4.5
79.82352	0.5
81.06939	46.8
81.07469	4.7
83.08496	7.7
83.09025	1.1
85.02779	2.1
85.10064	4.3
91.05397	0.6
92.44160	0.5
93.06909	7.5
95.08470	21.5
95.09132	1.5
96.31197	0.5
97.02815	0.6
97.06425	0.5
97.10036	7.9
100.11194	0.5
104.33167	0.5
105.06918	2.1
107.04921	4.8
107.08566	6.3
109.10134	11.3
111.11618	2.2
117.06860	0.9
119.08411	2.2
121.10116	5.1
122.10289	0.5
123.11696	4.3
131.08461	1.0
133.09979	3.2
133.10907	0.8
135.07967	0.7
135.11670	6.0
137.13106	1.1
143.08458	0.8
145.10016	1.2
146.16730	0.5
147.11552	2.7
149.13092	3.4
151.14668	1.0
157.10074	6.0
159.11531	2.9
161.13126	0.8
163.11104	0.6
163.14680	2.2
171.11540	0.9
173.13080	1.9
175.10985	1.2
177.16289	1.8
183.11612	0.9
185.13043	0.7
187.14691	0.6
201.12584	0.8
201.16159	0.6
205.78954	0.5
225.16144	0.6
239.17932	0.6
253.19522	0.6
260.82242	0.5
261.25589	0.8
279.23251	0.8
325.35660	0.5
379.33453	2.0
397.34573	100.0
410.76730	0.6
415.35547	7.1
447.34512	1.0
559.46802	4.9
577.41565	1.2
577.51654	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	579.1331
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
54.55455	0.3
68.44263	0.3
69.03414	0.3
71.69551	0.3
75.85587	0.4
109.76103	0.4
270.05124	2.3
315.04868	8.1
316.05670	4.9
331.08017	100.0
493.13123	2.2
515.10150	0.3
535.13721	0.4
579.13257	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	579.1703
Annotation	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
Peak:m/z	Relative Intensity
57.07129	3.8
59.59504	4.4
69.03401	20.8
73.53198	4.4
79.20898	4.3
85.02883	9.8
94.42553	5.0
96.35905	5.2
101.29874	4.7
109.04686	5.1
119.76950	4.4
283.05957	17.6
295.05768	42.9
307.05905	39.1
308.06641	5.8
309.07266	6.6
313.06943	10.3
321.07571	10.5
325.07062	100.0
336.06699	5.8
337.06992	72.2
347.09100	10.5
349.06879	56.3
351.08670	19.3
355.07983	8.0
361.06934	8.7
363.08557	5.7
365.09995	19.6
367.08051	8.2
373.07153	6.2
373.49866	5.2
375.08417	34.3
379.08057	48.3
391.07999	20.3
393.09772	41.9
403.07870	20.5
405.09641	10.3
411.10626	10.4
433.09430	6.0
441.11819	7.4
447.10580	9.6
457.11047	24.3
459.12283	21.4
465.11609	8.1
483.12665	30.5
495.12949	17.5
507.12408	6.1
513.13721	23.5
525.13635	9.0
543.14685	33.6
561.16010	80.5
579.16718	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	579.1703
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
55.01862	0.1
57.03425	0.5
62.28905	0.1
65.37150	0.1
68.25927	0.1
69.03421	0.2
71.04981	3.7
75.04504	0.1
79.05747	0.1
81.03416	0.3
83.04955	0.1
85.02403	0.2
85.02892	4.3
109.02872	0.2
127.03876	0.2
129.05431	0.6
153.01808	0.1
226.38922	0.1
232.72336	0.2
271.05954	100.0
299.70837	0.1
315.04953	0.8
316.05807	0.6
331.08051	10.9
379.40808	0.1
433.11240	23.1
579.17169	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	579.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42559	0.4
61.72788	0.5
62.06929	0.4
65.03933	0.4
65.24530	0.4
73.90617	0.4
77.53917	0.4
91.05459	6.5
92.17413	1.0
117.06924	0.5
119.04087	1.0
119.04901	20.3
119.08538	0.6
126.07289	0.4
147.04370	100.0
151.07510	0.7
164.08246	0.9
165.05435	0.4
167.06946	0.8
171.31421	0.5
177.05486	0.8
179.06955	3.5
180.07735	0.7
181.04874	3.4
193.04893	0.6
205.08583	3.1
207.06499	5.9
208.07338	2.6
218.05750	0.8
251.15015	0.5
371.11203	2.0
383.11035	2.4
415.13800	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	579.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98360	6.7
57.07056	18.4
57.64996	6.7
69.03406	6.9
71.08612	19.2
73.80519	6.5
81.07044	30.6
85.02888	9.9
85.10156	17.9
87.05584	100.0
88.09483	7.9
91.94067	8.5
95.08578	32.9
101.94543	7.8
102.92777	9.0
109.10139	14.6
123.11660	10.1
167.20918	8.4
239.23662	10.1
265.77792	9.2
383.27875	11.1
401.28903	60.2
563.74536	8.6
605.03192	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21992	2.1
52.96532	1.9
55.05495	3.2
55.23549	2.3
55.67133	2.3
57.07027	2.4
58.99572	6.0
62.34254	2.5
67.05483	11.8
67.42651	2.2
69.07059	21.0
69.10805	2.4
76.02213	100.0
79.05473	6.4
81.07047	91.4
84.04485	16.1
84.91912	2.5
85.07634	3.2
87.09212	4.9
92.16794	2.9
93.07015	15.9
95.08588	35.1
107.08585	15.6
109.10139	15.6
113.07104	6.2
115.35100	2.8
116.01641	25.3
117.08425	2.5
121.10094	20.7
130.04980	12.7
130.09711	4.9
130.15913	10.8
135.11656	10.7
137.13237	5.0
142.03180	6.5
144.01115	29.2
145.07343	2.6
149.13245	11.4
162.02165	72.1
170.02719	3.1
179.04819	56.5
182.43362	2.9
233.05789	12.3
255.09692	2.9
263.18683	2.7
308.09091	26.2
329.46957	2.7
451.29834	5.1
580.33990	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	581.1503
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
51.99530	1.4
52.19721	1.3
61.02930	1.6
77.65936	1.4
85.02905	3.8
96.45153	1.5
137.02318	12.3
138.33377	1.6
141.17818	1.7
161.02249	1.9
200.15663	1.7
208.76831	1.6
246.85239	1.8
262.88715	1.7
299.05499	6.4
310.04770	15.1
311.05450	80.8
323.05466	63.2
324.06290	8.0
325.06921	13.4
329.06445	8.3
333.07507	3.7
335.05557	7.1
337.07047	28.8
338.07803	2.6
339.04929	2.2
339.08655	6.5
341.06543	92.5
349.07019	16.8
351.08694	20.1
352.05978	2.0
353.02396	3.5
353.06546	77.5
353.10880	2.8
355.08075	2.9
361.07004	1.9
363.08636	16.5
365.06497	79.3
367.08148	31.3
371.07724	7.6
377.06540	30.7
379.08017	15.7
381.09811	14.0
383.07675	12.9
387.08609	1.9
389.06659	9.9
390.07391	2.6
391.08215	18.8
393.09659	6.9
395.07596	100.0
401.06439	4.0
403.08020	8.7
405.09531	8.8
407.07608	37.4
409.08646	2.2
413.08472	16.3
417.10205	2.3
419.07507	30.0
421.09143	14.2
425.08762	22.7
431.08389	13.1
433.09113	3.1
435.10876	9.1
437.08685	9.6
443.08783	10.0
449.08655	19.2
455.09470	6.0
461.10226	33.0
467.09808	12.7
468.17737	1.7
473.10715	26.8
479.09619	1.9
485.10699	25.7
491.09409	7.0
497.10770	23.8
509.10681	11.6
515.11810	32.6
527.11499	23.7
545.12921	47.8
563.13879	91.2
581.15045	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	581.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.7
68.86332	0.6
75.04462	1.0
76.30791	0.5
79.05489	1.0
82.11051	0.5
85.02894	1.1
85.06481	0.6
91.05466	8.3
93.03403	7.7
93.07014	3.0
94.22091	0.5
95.04939	1.2
105.07036	2.4
106.04159	11.9
108.68369	0.6
113.07621	0.6
119.04910	16.4
119.08553	1.5
121.06483	19.4
123.07994	0.7
125.05151	0.7
125.05917	5.0
130.42726	0.7
131.04945	1.4
133.06487	1.3
134.03571	0.7
135.08040	3.3
137.05959	2.4
139.07509	1.3
147.04385	100.0
148.05092	0.8
149.04764	1.1
149.05959	31.0
151.07500	1.4
153.05383	1.2
153.09076	5.9
161.05893	0.6
163.07518	2.9
165.09059	6.4
166.09926	0.9
167.06978	4.3
177.05420	14.3
179.07066	5.3
181.04948	8.5
181.08560	11.3
189.09003	1.0
191.07014	1.5
192.04268	0.6
207.06473	5.0
207.10153	3.3
208.07202	0.6
209.08054	30.9
245.08092	2.5
263.09164	0.8
349.11063	0.7
350.79010	0.7
371.11133	3.3
385.12756	2.6
399.14322	1.0
417.15329	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2011
Annotation	Kadsuphilin C
Peak:m/z	Relative Intensity
55.01859	11.6
65.03931	12.5
70.00565	1.8
72.51987	1.8
74.71220	1.9
80.41191	2.1
82.04205	2.5
86.58416	1.8
92.16830	4.2
93.03374	12.0
95.04935	3.6
104.66684	2.2
107.04957	10.1
110.03657	13.2
111.04417	28.9
121.02837	22.3
125.05946	19.0
131.05020	3.0
147.04382	2.8
151.03889	58.1
151.05022	5.1
153.05443	89.8
167.07024	4.9
173.06013	3.0
175.07515	2.4
177.05357	3.1
178.06255	8.5
179.08553	2.4
204.14688	2.0
205.04860	2.6
207.08038	4.1
219.08170	2.4
221.09515	4.4
234.06696	3.8
235.07509	9.3
237.09081	4.8
239.10541	3.1
245.08031	11.3
249.09073	8.8
252.07742	21.9
263.06891	3.7
264.07779	3.0
265.08658	9.9
267.10083	25.0
277.08649	8.2
280.07312	8.1
281.08078	3.8
291.06470	2.5
292.07281	3.0
293.08139	4.7
295.09583	26.0
296.10318	2.3
297.11276	2.3
307.09247	2.6
323.09088	65.9
324.09967	3.5
337.10638	3.6
353.10095	4.4
355.11710	100.0
367.11703	4.3
369.13019	2.4
385.12717	21.6
387.14224	2.5
417.15677	2.9
581.20074	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	582.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08047	2.0
59.79629	2.2
65.36428	2.3
69.03428	3.7
77.57962	3.0
78.29645	2.5
81.07058	17.5
85.02902	12.2
95.08607	16.0
105.06989	23.5
108.61585	2.5
109.10160	12.2
119.08585	4.0
121.10159	3.2
123.11705	13.1
127.03876	3.7
131.08507	9.9
133.10126	19.8
145.10156	6.1
147.11658	10.6
149.05980	4.7
149.47754	3.0
156.17308	2.6
157.10107	4.6
159.11671	6.3
161.13283	4.7
171.11736	4.0
173.13197	4.1
197.13219	4.2
199.14792	6.8
209.11641	3.0
225.16345	3.8
243.13776	6.6
243.20999	26.6
253.19479	26.5
255.21040	34.1
271.20551	17.4
299.19980	38.5
317.21127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2166
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
53.65703	1.1
53.85548	1.0
59.92374	1.4
63.22460	1.1
65.03934	9.8
67.05520	1.9
79.05482	1.8
82.04182	1.2
91.67480	1.3
93.03407	10.5
107.04923	2.0
110.03631	14.4
111.04424	31.4
121.02833	24.8
125.05983	23.6
135.04369	1.7
137.05960	7.3
145.06462	1.9
147.04373	1.9
149.05978	1.8
151.03879	32.6
151.04997	2.0
151.07535	1.8
153.05441	100.0
159.08022	5.1
161.05988	7.4
163.03905	1.3
167.06998	9.2
175.07516	7.0
177.05548	1.5
181.04881	2.1
187.07484	1.8
189.05421	2.3
191.08540	1.6
216.07808	3.2
219.08014	2.4
225.09029	2.4
226.06125	1.8
236.08315	5.2
239.07059	1.7
247.09610	11.0
249.09169	1.7
251.10561	9.2
253.08524	11.8
254.09142	2.8
254.85928	1.5
264.07761	3.1
265.08606	2.7
267.10056	3.0
269.11652	12.8
276.07892	2.0
279.10132	5.5
281.11917	1.6
282.08841	2.9
293.08035	1.7
295.09470	2.4
296.10547	1.8
297.07999	2.0
297.11115	15.6
307.09525	5.7
309.11133	1.7
317.97498	1.6
325.10675	44.9
326.11267	1.7
329.13861	1.8
337.10733	2.5
339.12177	30.2
351.12289	3.2
355.12021	1.7
357.13229	43.7
369.13190	6.0
387.14188	8.2
562.95807	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	585.283
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51986	2.3
64.13207	2.8
64.61834	2.5
67.90650	2.7
79.89545	2.7
84.04511	5.7
107.08569	5.2
119.08547	5.7
122.02711	18.9
124.15275	3.0
130.05013	5.8
131.08525	3.9
133.10080	6.6
135.08069	4.2
145.10088	3.8
147.08026	31.1
150.91830	3.4
159.11696	3.4
171.11621	4.3
173.09636	6.0
173.13235	17.8
187.11128	3.7
197.13229	3.0
215.14127	4.7
226.73201	3.0
249.20543	2.6
253.19450	4.4
271.20383	4.3
281.18872	37.9
283.90588	2.9
299.20010	40.7
317.21042	33.6
335.22113	16.2
410.60278	3.1
585.28357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
82.75406	1.0
91.22885	1.0
112.05058	1.1
221.79857	1.0
267.86963	1.3
293.58377	1.1
369.31091	1.1
424.06274	5.1
586.11542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50114	0.2
55.24152	0.2
82.22688	0.3
83.08646	0.3
100.11253	100.0
104.10744	0.6
171.68483	0.3
206.91287	0.3
213.63129	0.3
216.80276	0.3
219.34468	0.3
298.22049	0.3
334.40558	0.2
504.30536	0.4
586.19830	0.4
586.40155	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	587.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36624	1.3
70.53921	1.6
81.07023	2.6
95.08582	2.5
116.19505	1.9
147.04413	1.5
157.08852	1.8
165.64063	1.4
195.75316	1.4
203.05251	7.7
221.68234	1.4
245.06267	13.6
250.72652	1.4
288.24078	1.6
289.05270	15.3
339.19449	2.0
367.18668	2.9
384.38181	1.7
436.25580	1.7
501.24344	13.2
543.25470	40.8
587.24500	100.0
601.95807	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	589.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.6
55.01862	1.3
61.12805	0.9
62.56705	1.0
68.89680	0.9
69.03413	6.8
72.07563	1.2
73.02934	1.6
81.03396	8.3
83.97367	1.2
85.02884	17.3
87.00803	8.5
90.85253	1.2
95.99868	1.2
97.02876	2.5
99.04397	2.9
105.01865	2.1
105.06991	2.2
106.02870	1.2
109.02863	7.6
109.06477	2.3
115.43664	1.1
124.03899	1.8
127.03875	12.5
133.06461	5.5
137.05943	100.0
145.04971	1.4
147.04373	1.8
149.06064	1.8
151.07484	1.6
159.02841	2.8
161.05910	16.6
175.07503	30.4
187.07478	13.2
191.08467	5.1
199.07501	7.4
203.08594	1.5
219.08044	7.9
231.07979	5.0
232.08815	1.5
247.07492	7.2
248.08159	2.9
251.10567	23.1
259.07520	6.3
260.08359	2.2
261.09088	1.8
262.09790	1.2
263.10632	5.8
264.07742	1.7
272.80087	1.2
276.07785	5.6
277.08359	2.5
279.09998	11.8
280.10797	1.9
291.10107	16.4
292.10934	2.1
308.10321	2.4
311.12717	33.6
323.12674	20.2
335.12619	1.4
341.13934	2.4
553.27527	1.4
563.89154	2.0
589.41144	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23626	0.7
55.05516	8.9
57.07067	5.0
64.90931	0.7
65.36247	0.7
69.03447	1.1
69.07059	13.5
69.16016	0.8
71.08625	2.9
79.05519	1.1
81.06593	1.3
81.07056	32.7
81.07528	1.2
83.08616	34.0
84.00936	0.6
85.02882	2.0
93.07022	1.3
95.08620	1.0
97.10159	4.6
105.07022	1.1
107.04951	7.2
107.08588	2.0
109.10170	1.4
117.64916	0.9
133.10114	1.8
137.13240	0.9
138.97285	0.8
145.10153	1.3
147.11726	1.3
157.10107	1.7
171.11673	0.9
175.14624	1.0
256.23514	0.8
271.20425	1.3
400.06155	1.1
409.34644	100.0
427.35617	4.8
481.62241	0.9
509.19949	0.8
589.42841	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	591.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59047	1.2
62.51786	1.0
69.03417	6.0
74.44274	1.0
74.66448	1.4
81.03392	2.9
97.02863	2.5
98.42358	1.2
99.04387	1.3
109.02866	7.7
127.03934	5.3
132.04362	1.9
160.07492	11.3
161.04750	1.4
162.05460	100.0
162.26282	1.4
164.03372	13.8
178.05011	2.6
185.85832	1.2
188.03377	75.9
191.08148	1.3
205.58333	1.2
205.95665	1.5
206.04460	8.3
211.31845	1.4
215.49683	1.2
223.04091	2.1
224.05504	6.7
332.07672	9.3
350.08612	8.2
368.09567	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	591.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03257	0.4
51.68763	0.4
55.05495	0.8
57.07064	3.0
57.38872	0.4
67.05489	2.0
69.03432	0.6
69.07051	2.8
71.08634	3.6
79.05485	1.0
81.07052	30.6
83.08618	2.3
85.02869	1.9
85.10189	3.3
87.37864	0.5
93.07027	3.4
95.08588	6.9
97.10145	2.9
105.06996	0.6
107.04951	5.8
107.08547	2.1
109.10152	3.7
111.11691	1.2
119.08576	0.7
121.10109	1.0
123.11674	1.9
131.08536	0.7
133.10100	1.8
135.07945	0.5
135.11678	2.5
137.13255	0.9
143.08551	0.6
145.10110	2.7
147.11676	1.0
149.13173	1.0
157.10117	5.1
159.11646	0.8
161.13258	0.7
163.14803	2.4
171.11679	0.7
173.13234	0.8
175.11142	0.6
177.16357	0.9
185.13290	0.7
201.16412	0.6
211.14856	0.5
225.16351	0.6
229.15886	0.5
235.34155	0.5
253.19292	0.7
393.35077	2.2
411.36163	100.0
429.37106	6.1
496.04144	0.5
500.95264	0.5
502.58191	0.5
591.42047	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	592.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94124	6.7
52.31536	6.3
54.08199	7.0
55.05497	8.9
59.04327	7.0
59.78445	5.8
60.18932	7.1
67.05496	33.9
69.07070	53.3
81.07058	60.1
82.32232	8.0
83.08603	41.8
83.89951	7.7
95.08595	90.3
97.06579	9.1
97.10150	12.2
100.85276	8.5
107.08575	18.0
109.10150	80.1
119.08636	7.6
133.10057	12.3
135.11655	58.8
149.13303	8.1
153.12701	65.5
161.13255	8.6
163.14821	12.4
165.16360	100.0
171.13785	36.8
183.17471	15.4
189.16446	56.2
207.17404	17.7
219.73398	8.5
225.18494	90.1
288.48193	8.6
298.54431	8.5
308.45087	8.8
389.83313	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	593.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67066	0.8
54.24032	0.8
64.55146	0.9
69.03419	1.2
81.03396	2.3
88.26226	0.9
89.79934	1.4
91.05456	4.4
99.04441	1.2
119.04914	14.5
147.04401	19.7
151.11127	1.6
157.03882	1.1
175.03882	65.1
193.52092	1.0
207.06505	100.0
207.13701	1.3
225.14803	1.3
251.98935	1.0
351.10873	1.6
369.11740	6.8
406.68143	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	594.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18530	2.2
55.05510	6.4
57.03430	3.6
57.07076	21.7
66.69724	2.4
67.05499	6.0
69.07066	59.5
71.04980	5.7
71.08622	12.8
75.81057	2.4
79.05481	6.3
81.07051	24.9
83.04965	4.2
83.08614	30.5
85.02888	3.6
85.10168	3.9
93.07038	11.8
95.08585	36.1
97.06531	35.0
97.10154	20.4
101.06033	3.1
107.08590	22.0
109.10148	24.1
111.08054	11.6
111.11661	20.0
121.10107	19.1
123.84155	3.5
125.09602	6.5
125.13254	4.2
131.09337	3.2
135.11679	100.0
135.12662	5.1
135.92593	2.9
139.11163	5.9
149.13258	13.2
153.12720	87.0
171.13742	51.7
189.14899	11.4
191.04890	3.2
191.17923	40.3
209.18980	29.8
227.20006	55.5
245.21063	15.8
372.68219	3.2
397.33112	18.9
415.34067	27.7
514.99115	3.0
520.00287	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	595.1651
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
51.30218	0.7
54.19065	0.8
54.59323	0.7
57.03435	1.4
62.25612	0.6
67.49499	0.6
70.55282	0.9
71.04984	9.9
85.02895	16.5
95.08523	0.8
97.02871	1.5
106.02905	1.0
124.03941	3.3
125.58599	0.8
127.03912	1.6
129.05450	0.8
136.64409	0.9
147.04424	1.0
149.63353	0.9
151.03862	1.2
166.29120	0.8
287.05469	100.0
309.53220	0.9
332.75946	0.8
378.47150	1.0
449.10675	3.9
520.31177	0.9
568.57843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1641
Annotation	LMPK12110312
Peak:m/z	Relative Intensity
51.26802	0.5
53.03950	0.6
61.02892	1.0
66.51226	0.6
69.03394	2.6
73.18005	0.6
76.56704	0.7
81.03398	1.4
85.02879	10.4
97.02866	4.0
98.27789	0.6
109.02839	1.2
118.60705	0.6
121.02845	0.8
127.03886	1.2
163.03566	0.7
176.50302	0.7
202.23779	0.7
230.66861	0.6
241.62335	0.6
267.06409	1.4
271.05923	6.2
281.08069	2.7
283.05920	88.0
295.06000	8.4
297.07547	2.6
309.03952	3.2
309.07468	24.3
313.06964	100.0
321.07568	1.0
323.09006	18.8
333.07483	4.0
337.06970	39.0
349.06985	14.6
351.08655	4.6
361.06952	11.9
367.08047	7.1
379.08014	12.2
379.59290	0.7
397.09177	7.0
415.10092	20.4
419.37033	0.8
433.11185	61.5
517.79645	0.9
595.16327	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	595.1651
Annotation	Apigenin 7-gentiobioside
Peak:m/z	Relative Intensity
51.22235	3.4
67.46089	3.5
79.83064	3.8
81.59045	3.8
85.02851	17.1
97.02837	8.6
103.43926	3.7
109.02861	7.4
109.69997	4.3
121.02872	4.9
124.03965	6.5
127.03907	10.1
130.94928	3.8
151.03870	19.0
167.07002	5.5
181.04971	7.9
232.89200	4.6
271.05936	61.9
275.30136	4.2
313.06940	7.9
324.06094	15.8
325.06937	77.0
337.06970	53.1
339.08536	5.9
350.07666	6.2
351.08630	26.5
352.09366	6.5
355.08081	79.3
363.08609	10.1
365.09988	10.2
367.07993	69.5
377.09781	6.4
379.08014	61.9
381.09540	32.4
391.08224	14.4
392.08337	6.3
393.09677	8.6
395.11032	9.4
397.09259	7.4
403.07727	5.8
405.09906	8.3
409.09082	100.0
421.09076	27.4
427.10220	6.1
433.09689	22.3
435.10782	9.6
439.10034	22.4
447.10974	4.9
451.10220	6.5
461.61984	4.1
463.09946	23.9
469.10745	7.1
475.11557	23.3
481.10953	5.6
487.11438	28.0
499.12347	32.6
505.11386	5.9
511.12122	27.2
523.12030	5.5
529.13434	26.8
541.13171	25.5
559.14429	37.9
577.15210	88.4
595.16254	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	595.1645
Annotation	Kaempferol-3-Glucoside-3'-Rhamnoside
Peak:m/z	Relative Intensity
69.03410	0.9
71.04967	4.8
85.02892	4.4
124.03921	1.4
127.03884	1.3
129.37212	0.8
151.03761	0.9
162.05482	1.0
209.08192	0.8
270.14740	0.9
283.06030	1.4
287.05438	100.0
295.05872	1.1
313.06952	3.6
337.07266	0.9
343.08273	1.5
391.07819	1.0
436.18582	1.0
449.10611	19.0
595.16223	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25206	2.8
69.03427	3.1
77.50526	3.5
81.03365	3.2
85.02870	6.7
87.75792	3.1
90.94934	2.9
97.97124	4.1
99.16959	3.2
106.02919	14.7
106.06565	14.1
108.08102	5.6
108.72203	2.9
124.03944	42.7
124.07601	15.0
132.95668	3.3
134.06023	12.9
136.07555	15.4
141.96815	3.1
152.07068	47.7
170.08113	20.8
188.07056	20.1
205.09840	5.7
268.08066	13.0
282.57935	3.2
419.14435	5.6
599.20807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3765
Annotation	Sarcohydroquinone sulfate A
Peak:m/z	Relative Intensity
66.87670	1.1
69.98508	1.3
70.06624	1.2
92.16875	1.6
121.10119	1.4
144.46069	1.4
154.18713	1.4
185.04282	4.9
203.05222	21.5
211.13042	8.5
244.12231	1.5
373.18304	34.3
599.37549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71592	0.5
57.58302	0.6
70.38449	0.7
84.58793	0.7
106.64327	0.6
118.06551	1.4
130.06541	0.7
132.08069	1.1
141.17464	0.7
144.08067	5.6
146.05995	39.1
159.09155	4.5
170.05978	1.1
188.07053	100.0
205.09708	32.5
281.12573	0.8
281.16962	0.8
303.00674	0.8
534.78040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05472	1.5
69.03383	5.4
81.03386	6.4
81.07029	3.2
85.02879	13.5
93.07003	3.0
95.08579	10.8
97.02849	3.2
97.10139	2.3
105.07028	10.7
105.21329	1.5
106.02887	1.6
107.08568	9.3
109.06512	1.5
109.10123	3.5
119.08518	17.3
121.10124	16.6
122.02674	2.9
122.12574	1.5
123.08023	1.8
123.11664	32.6
124.03902	2.4
127.03941	1.7
131.08537	2.1
133.10083	25.9
135.08028	16.7
135.11659	7.9
137.09546	2.7
145.10080	7.5
147.08018	41.9
147.11652	8.6
149.13229	9.7
157.10123	2.0
159.08060	2.2
159.11664	3.5
161.09514	3.2
163.11154	2.3
171.11630	7.2
173.09557	10.1
173.13222	8.1
175.11206	1.7
175.14771	28.5
185.09647	2.0
185.13138	5.3
185.58562	1.6
187.11099	7.7
187.14691	3.3
187.19820	1.5
189.12706	8.4
195.11595	2.6
199.11134	2.3
199.14720	6.4
201.12785	2.1
211.14732	2.7
213.12674	6.8
223.14706	3.7
225.16084	1.7
227.14232	3.7
229.15817	3.0
239.17926	1.7
255.21045	9.1
265.19443	19.7
283.17380	3.4
283.20483	100.0
301.21542	85.9
318.21942	1.6
319.22614	34.5
404.22278	6.0
422.23337	15.0
440.24609	28.5
481.27512	11.1
490.56989	1.7
561.88379	1.7
584.28705	2.8
602.29620	21.3
603.60229	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	604.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08757	0.2
54.70509	0.3
60.71761	0.3
61.22474	0.2
61.68774	0.3
79.93343	0.3
109.77824	0.3
209.52901	0.3
345.58966	0.4
370.15765	0.3
604.38300	100.0
609.24939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43309	1.6
69.03418	8.7
69.07043	1.9
69.80288	2.0
72.38455	2.0
85.02882	4.9
87.67085	2.5
89.06020	19.0
109.02882	12.5
111.08070	3.3
115.03908	2.1
118.15872	2.2
122.19202	2.4
127.03928	15.5
129.09087	2.8
132.04492	3.4
133.08580	3.9
157.08594	2.9
162.05472	100.0
164.03412	18.2
169.05064	2.5
177.05489	9.7
186.42540	2.2
188.03392	95.0
195.13878	3.0
206.04440	9.5
224.05511	9.6
241.14330	37.5
332.07590	12.1
350.08786	17.2
368.09729	10.8
442.83856	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	610.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01866	1.3
57.03427	1.4
61.02918	1.8
65.03953	0.3
69.03417	12.1
71.04974	0.8
73.02896	1.7
78.03444	1.9
78.19856	0.3
81.03410	7.8
82.51092	0.4
85.02891	26.8
87.04427	0.4
97.02869	10.1
99.04429	4.3
100.92801	0.3
101.02329	0.4
103.32825	0.4
106.02899	41.2
109.02173	0.7
109.02859	12.3
115.03889	0.5
118.60917	0.4
124.03925	100.0
127.03886	16.1
145.04942	2.9
166.04982	1.6
177.30817	0.4
190.04953	0.4
196.05972	0.6
208.05968	0.5
226.07098	0.6
232.05981	1.9
250.07047	14.9
268.08105	47.8
286.09152	82.7
394.11276	1.7
412.12335	1.5
430.13394	9.2
448.14420	34.8
574.17352	0.9
610.19879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
50.11849	0.2
53.69348	0.2
55.01883	0.2
57.03424	1.7
65.96719	0.2
69.03406	1.1
71.04976	9.7
75.04449	0.3
81.03394	0.3
85.02889	13.1
89.71152	0.2
97.02868	1.4
99.04420	0.4
111.04367	0.3
114.09102	0.3
127.03876	0.5
129.05426	1.5
137.02351	0.2
141.72920	0.2
145.04921	0.3
147.06494	0.5
165.01746	0.4
229.04930	0.3
231.26106	0.3
251.83856	0.3
257.04257	0.3
257.11624	0.3
270.72125	0.3
285.03888	0.4
286.22836	0.3
303.04926	100.0
334.24503	0.3
338.30441	0.2
465.10074	3.4
611.44586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	6-C-Glucosylkaempferol 3-O-glucoside
Peak:m/z	Relative Intensity
52.27071	0.5
57.90542	0.5
58.10430	0.5
61.02904	0.5
67.52697	0.4
69.03409	2.7
70.47057	0.5
71.06411	0.5
81.03397	0.9
85.02896	10.2
97.02868	3.0
99.28706	0.5
109.02844	0.9
124.06184	0.7
126.07704	0.6
127.03844	1.2
134.75607	0.5
142.09389	0.5
178.76628	0.5
197.49701	0.6
283.05994	2.0
287.05444	8.7
297.07629	3.2
299.05453	85.4
300.06174	1.2
311.05493	8.9
311.08914	0.9
321.07593	0.9
325.03534	1.6
325.06976	20.0
329.06491	100.0
337.06915	1.2
339.08551	18.8
349.06961	3.0
351.04874	0.9
353.02032	0.7
353.06494	34.6
365.06479	12.4
367.08044	3.9
377.06509	12.9
383.07584	8.6
395.07556	10.8
413.08551	6.1
431.09622	17.5
449.10733	60.9
491.11996	0.8
611.16003	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	616.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55653	2.9
52.81703	3.2
55.93943	2.9
57.07033	3.3
63.31935	3.3
69.07035	4.1
72.04501	23.6
73.02924	12.7
81.03372	7.1
83.04947	3.7
85.02885	7.0
85.06530	4.5
87.08089	4.9
90.05527	61.0
91.44351	3.0
95.04966	4.3
96.10896	3.4
97.02843	5.6
98.02363	5.6
100.03940	4.8
109.02876	48.5
116.03428	37.8
116.20509	3.5
124.07569	28.8
127.03883	29.4
132.06529	8.8
142.08583	19.9
145.04938	7.1
160.09671	7.7
162.05397	4.9
166.08611	4.8
174.11191	15.4
177.05426	6.4
184.09637	59.5
197.50270	4.2
198.07692	4.9
199.06029	6.3
199.93330	4.2
202.10695	100.0
220.11667	8.6
262.12714	6.2
276.84570	4.1
306.15652	3.9
310.12796	4.7
328.13818	47.8
346.14917	8.1
364.15952	86.0
418.21103	5.0
436.21616	19.2
454.22528	26.9
490.19504	4.3
638.01611	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	617.4195
Annotation	6'-Hydroxysiphonaxanthin
Peak:m/z	Relative Intensity
55.63015	1.0
60.20110	0.9
60.79127	1.0
66.02900	1.0
67.05497	2.6
79.05479	1.7
81.07040	6.7
83.04970	2.7
83.08587	1.2
91.05460	1.9
93.07040	4.3
95.08575	5.7
95.72128	1.0
105.07029	4.7
107.08581	5.0
109.10156	6.2
119.08540	4.0
121.10143	9.5
123.08099	1.1
123.11681	2.1
131.08539	2.1
133.10110	13.4
135.08034	6.2
135.11664	6.2
137.09628	2.1
143.08598	1.4
145.10123	4.6
147.07945	1.7
147.11671	9.0
149.09610	7.1
149.13243	1.7
151.11127	1.1
157.10126	5.0
159.11650	9.5
161.09592	7.7
161.13226	1.7
163.11140	9.0
165.12601	1.3
169.10071	2.0
171.11707	5.2
173.09578	7.1
173.13234	12.0
174.58820	1.2
175.11057	8.4
175.14818	1.5
177.12743	2.1
183.11725	5.0
185.13199	2.2
187.11076	1.4
189.12733	7.0
191.14259	2.7
195.11766	1.3
197.13219	4.3
199.11281	1.7
199.14818	2.2
201.12698	2.1
207.11783	1.2
209.13286	1.3
211.14903	1.5
213.12834	1.2
219.17241	1.1
219.19365	1.1
223.14864	1.4
227.14281	1.5
237.16464	1.6
239.17961	1.5
241.15779	2.2
250.16815	1.2
255.17491	2.1
265.15866	1.7
265.19370	2.5
271.29480	1.1
279.21036	4.2
283.20419	4.4
287.50201	1.1
289.19559	4.7
307.20480	14.8
325.21570	17.0
537.69629	1.4
581.39868	5.2
599.40875	100.0
617.41809	26.1
617.50836	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	618.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.1
57.48702	3.3
67.05496	55.1
71.08611	14.9
76.02212	38.6
79.05481	8.7
81.03396	7.4
81.07062	12.8
82.28939	3.8
83.04958	16.8
83.08594	17.7
89.18353	3.4
93.07025	6.8
95.04923	13.3
95.08573	5.5
99.08092	6.1
107.08645	4.5
109.10146	87.0
116.01690	5.5
119.08554	17.6
121.10137	4.5
130.04965	4.7
131.08556	5.8
139.11165	100.0
144.01132	8.2
147.11591	4.1
151.11172	19.5
152.76590	4.0
155.10635	37.3
162.02199	28.4
165.12677	8.0
173.11714	57.9
175.11104	6.4
179.04860	23.8
193.12241	23.7
211.13216	39.3
233.05818	5.8
293.21008	41.0
308.09058	68.1
311.22125	36.2
340.67862	4.0
423.27206	3.6
561.05121	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	619.3988
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
54.61306	1.5
62.43558	1.4
66.36588	1.7
81.07051	3.3
83.04955	2.5
91.62542	1.6
93.07010	3.1
94.94607	1.8
95.08588	2.5
101.13999	1.9
105.07026	2.8
107.08546	7.3
109.10169	2.0
121.10127	10.1
128.25441	1.9
133.10115	8.8
135.08096	3.1
135.11685	3.4
137.09641	2.2
137.72975	1.8
145.10109	2.8
147.07945	2.3
147.11630	3.1
149.09584	2.1
149.13219	6.9
159.11668	2.7
163.11238	4.1
172.85695	2.2
173.09557	2.4
173.13181	2.1
175.11150	3.4
187.11200	2.2
189.12672	2.9
201.12723	1.7
203.14372	2.2
241.15865	3.5
242.72687	1.9
255.17247	2.5
289.19287	2.0
307.20648	9.3
325.21585	12.4
410.24500	12.6
411.25314	3.2
491.32950	2.4
565.36023	6.2
578.54895	2.0
583.37567	8.6
601.29865	2.4
601.38599	19.4
619.39758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4357
Annotation	(3S,3'S,5R,5'R,6S,6'R)-6,7-Didehydro-5,5',6,6'-tetrahydro-3,3',5,5',6'-pentahydroxy-beta,beta-carotene
Peak:m/z	Relative Intensity
53.68220	2.9
67.05471	4.8
81.07059	14.1
90.96460	3.5
92.17393	4.0
93.07030	3.0
95.08617	7.3
96.82291	3.0
99.99438	3.5
105.07000	6.0
106.32450	3.1
109.10161	6.2
110.13943	3.1
114.48182	3.4
119.08585	4.6
121.10053	4.2
123.11681	15.1
133.10129	38.2
135.11652	8.7
137.09697	4.8
145.10149	5.5
147.11694	15.8
157.10078	4.2
159.11676	7.5
161.09578	14.1
163.11206	4.6
173.09610	4.3
175.11034	5.6
175.14780	22.9
187.11124	5.3
199.14752	7.2
213.12665	6.1
291.21097	6.8
309.22101	23.7
319.11288	3.9
328.55286	4.1
334.85696	4.0
342.51489	3.4
360.69446	4.1
376.68665	4.0
420.43637	3.9
429.28003	4.1
447.28610	30.6
507.00958	4.8
510.59708	3.8
583.41351	100.0
601.42395	51.4
619.44128	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	620.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19754	2.9
62.69812	3.3
65.72204	3.8
69.03417	4.3
69.07039	5.8
72.04488	20.7
73.02888	8.9
80.13078	3.5
80.56310	4.0
81.03398	15.6
82.52849	3.8
85.02885	7.9
85.06490	8.0
90.05537	43.7
97.02872	9.7
98.02379	9.7
99.11561	3.9
100.03953	7.6
102.07075	3.8
109.02861	74.8
116.03407	41.0
121.41166	4.0
121.42622	3.9
124.03899	4.9
124.07559	23.3
127.03922	20.3
131.07039	6.0
132.06535	16.6
138.05464	4.8
142.08591	27.1
147.04352	6.1
158.87367	4.0
160.09688	8.3
163.25517	4.7
166.08592	7.9
166.75031	4.2
172.09610	8.2
174.11217	15.4
177.05452	18.3
184.09602	57.8
196.41258	4.2
198.07576	5.1
202.10699	100.0
220.11803	6.6
239.91710	4.4
310.12570	7.8
328.13867	92.7
346.15076	8.8
364.15924	52.5
458.20163	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	621.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22186	0.4
62.28399	0.4
62.37912	0.5
85.41756	0.4
87.58935	0.5
118.06518	2.4
132.08061	2.2
144.08058	4.8
146.06001	34.6
156.64682	0.5
159.09192	4.4
163.35556	0.5
170.05991	1.9
188.07053	100.0
205.09706	31.9
224.93202	0.5
271.86243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84799	0.5
55.05502	0.7
58.99585	5.7
64.33817	0.6
65.00337	0.6
69.07042	1.0
70.50164	0.5
74.34526	0.6
76.02221	43.8
76.04008	0.8
81.07024	1.1
83.04967	2.9
83.08613	0.7
84.04506	5.3
86.59488	0.6
91.05470	0.9
93.07022	2.5
95.08579	2.8
97.06549	0.8
99.64087	0.6
107.08590	4.0
109.06532	0.9
109.10164	0.8
114.09143	1.2
116.01642	8.6
116.70431	0.8
119.08575	4.3
121.10159	2.9
123.08070	1.2
129.06607	2.8
130.05000	6.5
131.08528	1.1
133.10104	6.5
135.08069	4.0
135.11754	1.1
137.09531	0.6
139.11163	1.2
142.03204	6.9
144.01114	9.8
145.10109	3.3
147.08029	18.7
147.11678	4.0
149.09589	4.6
149.13339	1.0
155.08331	0.6
157.10130	0.9
159.11670	4.7
161.09583	3.8
162.02167	44.8
163.11134	2.6
169.10086	1.3
170.02740	4.7
171.11691	1.0
171.36932	0.7
173.09633	4.5
173.13205	11.3
175.11154	2.7
179.04823	33.4
179.06348	1.3
183.11751	1.3
185.13173	1.1
187.05328	2.9
187.11180	3.7
189.12881	0.9
189.22769	0.7
191.14282	1.4
195.11737	0.7
197.13220	1.1
199.11223	0.9
201.12750	3.4
203.14240	1.0
210.34108	0.7
211.11024	0.8
211.14835	1.1
212.43604	0.7
213.12666	1.4
213.16418	0.9
215.04788	1.1
215.14288	8.1
225.12712	0.9
229.16026	1.1
233.05853	17.5
237.16504	0.7
239.17996	2.8
241.15891	1.4
245.05922	3.3
253.19467	4.6
257.18933	5.1
263.17929	5.0
271.20532	3.9
281.18964	21.8
291.06464	2.8
299.19995	28.8
308.09048	10.0
317.21167	5.8
323.32941	0.7
374.19995	0.7
420.07126	0.7
466.11282	0.7
495.25186	3.3
549.26520	3.1
569.58655	0.8
594.72668	0.8
606.28479	6.8
614.58093	0.7
623.96777	1.4
624.29425	100.0
648.99426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.2
55.05495	4.6
57.07052	5.7
60.98292	3.0
65.69653	2.7
67.05499	7.3
69.03413	24.0
69.07048	22.2
70.52766	2.9
71.04977	12.9
73.02887	4.5
79.05464	6.1
81.03396	24.0
81.07041	25.8
83.08620	8.1
85.02896	5.4
85.10175	3.8
93.06989	5.4
95.08573	22.3
97.02850	27.5
97.10152	13.7
99.04438	88.5
107.08569	6.2
109.02850	33.9
109.10142	15.3
121.10101	15.5
124.58034	3.2
127.03882	97.8
135.11679	14.3
139.45267	3.4
145.04897	5.3
149.13228	5.7
184.07307	20.7
194.06378	3.4
301.71140	3.5
319.48328	3.5
409.29391	16.5
427.30502	100.0
499.64719	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	624.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	7.0
68.33603	0.9
71.07327	0.9
75.36148	0.8
86.09694	21.8
104.10728	77.4
109.12282	1.1
124.99946	7.7
159.49365	0.9
165.26524	1.0
184.07301	100.0
247.07327	1.0
258.10925	1.6
339.28940	1.9
522.35419	43.1
601.73724	1.0
614.85962	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	625.1759
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
54.81779	0.5
55.01861	0.5
61.02922	1.1
61.08693	0.5
61.37828	0.4
69.03423	2.1
78.43102	0.5
81.03396	2.0
85.02901	10.4
97.02886	3.5
109.02872	1.3
116.95515	0.5
127.03944	0.8
133.73586	0.6
151.03876	2.0
297.07492	1.0
300.06174	0.7
301.07004	6.7
311.08902	2.1
313.07007	81.6
314.07809	0.6
324.06183	1.4
325.06964	6.7
326.07663	0.7
328.05688	5.3
337.07175	1.2
338.07858	1.0
339.05063	1.4
339.08627	18.8
341.06546	1.0
343.08078	100.0
348.06326	0.7
351.08746	1.3
352.05667	0.7
353.10147	16.3
355.08188	0.8
363.08612	2.9
367.08105	39.6
379.08023	12.0
381.09653	3.0
391.08047	9.8
394.06573	1.2
397.09085	8.7
409.09055	10.9
427.10257	7.8
445.11243	18.7
452.23587	0.7
463.12302	58.9
505.13730	0.8
625.17487	13.7
625.26575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1758
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03416	1.4
61.02890	0.3
66.80581	0.3
66.97514	0.4
69.03405	0.7
71.04983	9.2
72.53026	0.4
72.65315	0.3
74.21356	0.3
84.72994	0.4
85.02893	13.4
87.04448	0.4
88.41886	0.3
97.02872	0.8
99.04398	0.3
109.02856	0.5
124.03936	0.5
127.03919	0.8
129.05452	1.6
151.03836	0.5
261.07129	0.4
274.04584	0.4
285.03870	1.9
302.04114	4.3
317.06500	100.0
334.10641	0.3
479.11758	2.1
535.40015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22301	2.2
69.03400	2.4
73.48512	2.8
74.65975	2.4
81.03424	3.6
84.03075	2.3
85.02898	2.5
91.05449	2.5
94.98141	2.7
106.02895	15.2
119.08563	2.5
124.03913	20.5
125.74518	2.6
133.06421	3.8
137.05954	100.0
149.05978	14.4
161.05943	20.6
162.02190	2.7
162.06689	10.5
175.07532	28.2
187.07503	10.9
219.08034	11.3
247.07564	5.8
251.10579	40.3
260.07513	2.6
268.08127	4.6
279.10025	16.5
296.10284	3.2
297.14575	3.0
309.10980	3.4
311.12726	34.8
578.20203	42.5
608.20905	16.2
626.30670	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	626.3105
Annotation	EXC4
Peak:m/z	Relative Intensity
55.05502	0.9
58.99581	3.9
59.73011	0.7
64.84023	0.7
67.05479	0.9
76.02222	39.9
77.98862	0.8
79.05492	1.1
81.03400	3.6
81.07047	4.6
83.08609	1.1
84.04500	6.0
91.05439	1.3
93.07021	3.3
95.04990	1.1
95.08592	10.1
97.10171	1.7
105.07033	5.6
107.08594	6.2
109.06526	2.1
109.10162	3.9
111.11678	0.9
116.01655	7.0
119.08568	14.8
121.10136	18.3
123.11698	22.7
130.04999	6.5
131.08586	1.4
131.65340	0.9
133.10126	15.6
135.08061	11.6
135.11682	8.6
137.09616	1.1
142.03212	1.1
144.01155	5.8
145.10132	8.0
147.08034	23.0
147.11699	5.7
149.13243	4.8
157.10152	1.9
159.07993	1.2
159.11700	4.9
161.09605	7.1
161.13269	2.0
162.02188	39.9
163.11171	3.7
170.02692	1.8
171.11725	3.2
173.09593	6.6
173.13258	4.8
175.11281	1.9
175.14799	16.7
179.04840	36.4
181.85704	0.9
183.11693	2.0
185.09679	1.1
185.13266	1.7
187.05295	1.5
187.11217	5.8
189.12772	3.9
195.11723	3.6
199.11185	2.0
199.14819	2.0
209.13257	3.1
211.14760	1.3
213.12758	5.8
215.04851	3.3
223.14792	3.4
227.14291	1.5
228.66122	0.9
229.15878	1.7
233.05838	18.9
245.05905	4.1
255.21094	8.6
257.19110	1.0
265.19473	13.3
283.20557	37.8
291.06525	3.0
301.21555	21.2
308.09109	25.1
319.22604	14.8
405.09674	0.9
473.84125	0.8
479.25723	1.5
497.26685	1.2
590.28839	1.4
608.30011	22.3
626.31049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3834
Annotation	2,2'-dihydroxyastaxanthin
Peak:m/z	Relative Intensity
57.84155	2.9
63.27987	2.8
63.54888	3.0
67.05494	7.9
69.07056	3.3
81.07063	7.9
83.04966	3.2
88.07111	2.8
89.43118	3.0
91.05469	3.5
93.07008	3.3
95.08607	7.8
99.72333	3.2
107.08562	6.4
109.10142	4.7
119.08572	4.7
129.66293	3.2
137.74440	3.4
145.10135	4.6
147.08069	4.2
147.11690	7.0
157.10097	3.5
161.09612	4.3
163.11214	7.7
171.11644	4.6
173.09616	13.5
187.11169	4.5
189.12723	83.9
200.88290	3.8
223.15216	4.1
237.02072	3.1
281.19266	4.4
299.20120	7.4
383.64636	4.0
453.24988	3.8
611.37396	14.2
611.46381	4.6
629.37598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3827
Annotation	2,2'-dihydroxyastaxanthin
Peak:m/z	Relative Intensity
52.67835	3.1
59.29377	3.2
63.20258	3.3
67.05480	7.9
69.07047	4.9
81.07060	15.9
93.07019	7.4
95.08587	8.8
105.07022	8.8
107.08580	21.1
109.10107	7.0
109.22614	4.4
119.08571	9.6
121.10152	9.2
128.05005	3.7
131.08585	7.7
133.10132	16.1
135.08073	9.2
135.11671	6.7
137.09645	6.0
145.10118	8.5
147.08022	6.7
147.11691	20.7
149.09566	8.6
151.97562	4.1
157.10016	4.7
161.09621	7.6
161.13225	5.9
163.11221	8.2
169.10046	4.4
171.11540	4.8
173.09657	15.9
173.13214	8.4
175.11153	6.1
176.46436	4.5
187.11192	4.6
189.12720	19.4
209.13393	4.4
215.14221	5.3
255.17488	8.8
273.18442	9.7
279.17224	5.4
297.18515	9.7
305.67609	4.7
315.19363	30.5
325.21832	5.7
442.88980	4.3
611.37268	100.0
629.37549	59.5
629.48022	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3837
Annotation	2,2'-dihydroxyastaxanthin
Peak:m/z	Relative Intensity
50.83712	4.5
61.95990	4.5
67.05466	5.2
69.25723	4.3
79.05463	5.3
81.07018	5.5
93.07033	10.2
106.32651	5.3
107.08588	9.8
121.10114	7.8
133.10101	8.0
137.09554	5.6
145.10132	5.8
147.08069	7.0
147.11589	6.6
147.42488	5.5
149.09612	7.5
159.08067	9.0
159.11743	6.3
161.09633	7.3
163.11163	6.2
173.09560	20.9
173.13232	8.2
185.09406	6.7
187.11218	9.0
199.11185	7.8
213.12848	8.1
237.12788	5.6
279.17422	10.9
297.18512	7.5
305.18781	6.7
593.36304	10.5
611.37231	100.0
629.38177	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	631.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13602	0.6
56.65417	0.6
57.03426	1.4
59.04984	0.7
63.17049	0.7
69.03422	4.9
73.02927	1.2
81.03389	0.8
85.02881	7.4
97.02891	1.4
121.99538	0.9
127.03912	4.7
153.01794	4.3
153.05385	1.0
153.16302	0.8
155.03381	5.2
192.95325	0.7
241.05130	0.9
245.36290	0.8
270.05032	1.3
313.07047	1.8
314.07816	4.7
315.04977	7.8
315.08621	33.3
316.05942	5.7
331.08020	1.0
371.68634	0.9
423.07059	14.3
436.07462	1.1
437.08624	8.8
453.07813	0.9
454.08838	3.5
461.04779	0.8
467.09659	5.5
469.11255	100.0
474.49905	0.7
511.12302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17571	3.9
58.04945	3.3
59.84806	3.1
62.87506	3.7
66.46442	3.3
69.03411	9.5
73.02905	5.3
73.06551	15.9
81.03410	23.8
85.02890	38.9
97.02883	18.4
99.04451	31.7
103.03927	35.5
107.54708	4.2
109.02878	46.5
111.04354	3.7
127.03900	100.0
136.81917	4.0
145.04967	28.4
152.21025	3.7
162.05533	15.9
162.75748	4.0
187.05991	6.9
195.56616	4.2
259.11795	5.1
282.02921	5.5
289.09042	4.9
433.13300	16.3
448.56342	4.7
451.14297	5.9
481.25882	4.6
562.61981	9.0
631.62994	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	631.3983
Annotation	Macrophyllic acid
Peak:m/z	Relative Intensity
50.79095	2.6
55.31097	2.2
69.07066	5.4
79.98566	2.3
83.04981	5.0
91.56715	2.1
93.07079	2.9
93.72099	2.0
95.08600	3.6
105.07035	5.0
107.08568	10.6
109.10104	2.9
119.99956	2.3
121.10141	5.3
131.08589	3.5
133.06511	4.0
133.10117	6.0
134.72626	2.4
135.08034	3.5
135.11725	2.3
143.08592	2.5
145.10095	3.3
147.11671	3.8
149.09622	13.6
157.10159	2.9
159.08018	5.9
159.11632	3.3
161.13269	3.3
163.11162	12.0
173.09587	20.6
173.13249	5.9
185.09628	5.4
187.11066	8.8
191.14267	3.7
197.13148	3.6
199.11218	3.0
211.11160	4.4
225.12833	4.6
227.14337	5.4
239.14244	10.9
277.19391	3.1
281.18948	3.7
295.20459	4.8
305.18997	13.0
323.19971	21.1
341.21042	4.2
571.16394	2.7
595.37457	14.3
613.38696	38.3
631.39691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3975
Annotation	Macrophyllic acid
Peak:m/z	Relative Intensity
51.65091	3.9
70.12650	4.4
73.86755	4.7
81.07046	7.8
83.04971	7.8
86.09655	6.0
92.16927	6.4
93.07043	7.5
104.10735	25.9
107.08592	7.7
119.08533	7.0
146.98166	6.8
147.11673	6.9
149.09593	8.7
161.09537	8.7
163.11160	9.4
173.09602	8.1
173.13232	5.8
175.63039	6.3
189.12706	36.2
246.69308	5.4
301.17609	6.8
325.21634	6.6
353.94940	6.5
429.31451	7.2
487.28043	7.0
546.35681	6.3
595.38159	11.8
613.38800	100.0
631.39709	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	631.3988
Annotation	Macrophyllic acid
Peak:m/z	Relative Intensity
59.52285	3.3
67.05502	4.1
83.04994	4.0
93.07028	6.5
95.08603	4.5
105.07018	7.2
107.08564	7.2
109.10146	5.9
119.08529	5.1
121.10175	13.0
131.08574	4.3
133.10120	8.3
135.08031	7.5
135.11682	18.9
147.08051	5.7
147.11652	7.4
147.50670	3.6
149.09584	14.8
159.11714	4.5
161.09608	6.9
161.13205	4.3
163.11182	8.1
171.11710	8.7
173.09543	8.8
173.13258	7.8
175.11160	16.0
177.12659	3.8
185.09679	5.3
189.12738	5.5
197.13274	4.4
225.12788	4.6
238.52487	4.1
261.37997	4.6
307.20535	15.3
323.20053	8.7
325.21564	17.3
381.03287	3.8
386.92566	4.2
436.86911	3.9
467.69885	3.9
565.89417	4.3
595.37732	54.1
613.38824	100.0
631.40167	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	631.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12892	0.3
56.96555	3.8
82.35079	0.4
83.86700	0.4
92.17388	0.6
102.44026	0.4
115.81593	0.4
116.98502	0.6
127.83797	0.4
140.51682	0.5
147.07996	0.5
168.74773	0.5
169.58751	0.5
172.79083	0.4
175.14807	0.5
180.99899	0.4
195.06697	1.7
198.05554	1.0
199.02675	0.5
199.06287	0.7
201.07805	0.6
203.05829	1.6
205.07355	0.7
205.19429	0.5
211.06235	0.5
213.07930	26.5
215.09506	0.5
216.06566	0.7
217.07352	2.0
223.06302	0.8
227.09552	0.6
229.07414	12.0
231.08995	28.4
236.09462	1.6
237.16084	0.4
241.07433	5.6
242.08141	1.5
243.08986	2.9
247.08519	6.3
252.09077	0.6
253.11061	0.6
254.10577	0.7
255.08922	1.0
259.08423	3.4
261.09958	2.3
279.17279	0.8
293.73157	0.4
297.18216	0.9
305.17783	1.7
307.19409	0.7
315.19351	0.5
317.17801	11.2
321.18158	0.5
323.18842	6.1
333.17105	0.6
335.18823	93.8
353.19891	100.0
358.20285	0.7
371.20999	9.6
376.21521	11.2
595.37402	1.6
613.38391	0.8
631.42297	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72208	0.9
53.52195	0.8
54.62510	0.9
61.91803	0.9
69.03416	1.1
70.06569	1.3
71.59621	0.8
72.08147	6.3
73.02906	1.0
75.90607	1.0
77.87324	0.9
82.43504	0.9
84.34339	0.9
84.84772	1.1
85.46392	0.9
89.10782	5.8
97.37825	1.1
105.42514	0.9
109.02885	1.7
117.03359	1.0
127.03966	1.5
145.02826	19.6
149.14529	1.2
162.05467	22.5
164.03441	6.1
177.05435	100.0
188.03395	28.2
188.04926	1.4
217.29677	1.0
248.12790	5.2
265.15417	11.3
494.88400	1.2
632.24463	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	633.4137
Annotation	19'-Hydroxyfucoxanthinol
Peak:m/z	Relative Intensity
55.05486	1.2
55.69232	0.9
59.70989	0.8
67.05495	1.1
76.22979	0.8
79.05463	1.2
81.07046	4.2
82.58829	0.8
83.04967	5.3
83.08604	1.2
91.05464	1.3
93.07012	5.0
95.08571	5.0
105.07022	6.9
107.08591	10.2
109.10135	1.8
119.08527	5.0
121.06486	1.0
121.10162	7.1
123.11671	1.1
125.09549	0.9
127.55536	0.9
131.08557	6.3
133.06429	0.9
133.10115	11.6
135.07999	6.5
135.11664	8.5
137.09610	1.6
139.11111	1.0
143.08609	1.1
145.10069	8.8
146.80330	1.1
147.07996	4.5
147.11644	12.8
149.09566	12.1
149.13223	5.5
151.11124	1.4
157.10124	4.2
159.11636	9.2
161.09587	9.1
161.13231	4.2
163.11128	10.1
163.14740	1.8
171.11652	7.2
173.09584	8.9
173.13223	16.3
175.11147	12.7
177.12660	3.9
183.11653	2.2
185.13277	3.1
187.11137	5.4
189.12737	10.8
191.14301	5.5
195.11665	1.8
197.13232	2.0
199.11084	1.8
199.14757	1.8
201.12737	4.6
201.16364	1.0
209.13245	1.8
211.14764	1.3
213.12727	3.7
215.14178	3.3
217.15752	1.0
221.13113	3.4
223.14844	3.7
225.16280	1.7
227.14273	1.9
227.17845	1.1
237.12708	1.2
237.16357	5.1
239.14261	2.1
241.15799	1.6
249.16382	1.1
253.15747	2.2
254.16438	1.8
255.17326	7.3
265.15924	1.6
265.19165	1.7
279.17810	1.3
279.20978	6.7
283.17117	1.2
283.20471	4.8
289.19537	6.7
291.21283	1.4
307.20535	18.4
309.22107	1.8
325.21567	24.0
379.26077	1.1
381.81461	1.1
406.24780	1.2
407.25513	1.3
408.00748	1.0
427.26181	1.2
486.83783	0.9
561.37457	2.0
579.38062	5.4
597.39240	100.0
615.40295	47.8
633.41315	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	633.4144
Annotation	Methylene-bismehranine
Peak:m/z	Relative Intensity
54.04090	0.5
55.05499	0.8
56.86893	0.5
57.07064	0.5
63.36678	0.5
67.05499	1.9
69.07058	1.0
75.47282	0.4
75.74978	0.5
79.05481	0.9
81.07044	3.4
83.04968	5.1
83.08596	2.2
85.65456	0.5
93.07035	2.6
95.04992	1.1
95.08596	3.0
97.06520	0.7
97.10199	0.6
99.45577	0.5
105.07018	5.8
107.08571	5.3
109.10147	3.1
111.08075	0.7
119.08567	4.6
121.06467	2.5
121.10112	7.9
123.08039	0.8
123.11695	1.1
131.08554	3.2
133.10121	8.4
135.08031	18.2
135.11658	5.0
137.09624	2.9
139.11191	0.7
143.08556	1.0
145.10062	4.2
147.08023	3.0
147.11661	8.3
149.09598	15.9
149.13228	1.3
151.11176	0.6
157.10104	3.3
159.11649	3.9
161.09615	5.7
161.13249	2.8
163.11147	20.7
163.14809	0.8
165.12698	0.8
171.11691	3.3
173.09624	7.5
173.13232	9.6
175.11140	12.0
175.14815	0.8
177.12703	7.5
183.11737	2.3
185.13242	1.1
187.11183	4.6
189.12709	17.1
189.14281	0.9
189.16373	0.8
191.14211	3.8
195.11679	0.8
197.13264	2.6
199.11163	4.1
199.14871	2.4
201.12683	1.8
201.16174	0.7
203.14362	0.9
209.13223	1.3
211.14941	2.8
212.15387	0.7
213.12828	1.3
213.16409	2.8
215.14331	3.1
217.12210	1.0
217.15990	0.6
221.13264	0.6
223.14781	2.2
225.12769	1.3
225.16388	1.1
226.17163	0.6
227.14301	2.3
229.15884	3.4
237.16423	2.3
239.14310	0.9
241.15891	2.7
243.17516	2.0
247.14934	0.7
249.16412	0.6
251.14151	0.6
253.15968	2.5
255.17419	3.7
257.19034	0.7
265.15967	0.7
265.19431	2.0
269.12030	0.5
279.17712	0.6
279.21054	3.5
281.19049	2.2
283.20615	2.9
289.19498	3.5
297.18539	2.5
297.22113	2.7
299.19965	0.6
307.20468	8.8
317.21112	0.8
325.21555	11.9
343.22598	2.6
415.63748	0.6
421.85229	0.6
422.00003	0.7
551.08270	0.6
579.38287	3.2
593.32391	0.7
597.39417	7.6
615.40295	26.7
633.41461	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	633.4143
Annotation	19'-Hydroxyfucoxanthinol
Peak:m/z	Relative Intensity
66.99366	3.4
67.28307	3.1
72.05032	3.1
79.05476	5.4
81.07043	7.0
83.04962	4.6
90.81396	3.1
93.07032	12.9
95.08578	5.2
98.36441	3.6
101.96720	3.0
105.07002	8.3
107.08581	15.2
109.10165	5.9
112.18362	3.7
112.46990	3.7
119.08593	6.9
121.10151	6.5
123.11652	5.7
133.10098	15.6
135.07950	3.5
135.11674	15.9
145.10060	5.4
147.08029	6.6
147.11667	21.8
149.13217	5.7
157.10060	5.6
159.11653	15.8
161.09529	4.9
161.13242	4.3
163.11093	7.5
171.11639	7.1
173.09534	5.6
173.13225	18.8
175.11169	4.1
187.11108	6.1
189.12735	5.2
199.11142	7.0
209.13176	4.8
215.14215	3.6
223.14911	3.6
229.16003	4.0
241.16100	4.0
281.18979	7.0
299.20010	13.5
320.04874	3.8
325.21646	6.2
487.13470	3.5
579.38367	6.2
597.39349	100.0
599.82764	4.1
615.40509	51.3
633.40973	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	633.4164
Annotation	Methylene-bismehranine
Peak:m/z	Relative Intensity
60.98064	11.1
72.38114	9.7
78.55642	11.6
80.17893	9.8
92.16743	28.8
96.06664	12.7
105.07011	13.7
109.10162	17.1
121.10145	14.7
159.08075	14.0
161.09547	12.3
173.13234	16.2
263.17432	17.3
305.18835	14.3
341.21121	19.2
352.93399	12.3
394.23370	12.8
597.39099	78.4
609.33575	13.3
615.40009	64.8
633.41565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48070	1.4
64.45322	1.6
94.06529	1.7
117.28181	1.6
125.20710	1.7
130.06473	24.0
132.04405	10.0
137.94226	1.5
145.04959	2.1
157.07561	36.7
158.05960	45.4
175.08600	100.0
175.10101	3.8
186.05475	6.2
203.08092	95.1
203.09937	3.3
204.06558	2.1
219.16364	1.7
221.09132	57.6
522.47272	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	635.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06987	2.4
55.05501	3.5
55.58561	2.5
57.41404	2.3
57.82539	2.7
67.05506	5.7
81.07047	16.3
82.21478	2.8
82.22558	2.8
83.04968	5.1
83.08627	4.8
86.00169	2.7
91.05457	3.7
91.31168	2.3
92.17532	3.8
93.07020	10.3
95.08606	14.0
105.07005	16.1
107.08580	20.8
109.10150	6.1
119.08578	17.3
121.03271	2.8
121.10136	18.0
123.11702	16.2
131.08557	13.7
133.10100	33.9
135.08070	12.1
135.11671	7.0
137.09604	5.5
145.10118	10.9
147.08058	14.1
147.11676	17.6
149.09608	11.8
149.13280	10.6
150.05069	2.7
157.10176	5.0
159.11681	18.4
161.09589	6.9
161.13213	6.7
163.11082	6.5
171.11652	10.4
173.09607	4.0
173.13243	31.3
175.11182	12.7
175.14745	22.1
185.13220	4.3
187.11201	4.8
189.12666	10.5
191.14388	5.9
193.69917	3.2
197.13254	4.1
199.14798	7.1
201.12711	5.7
215.14291	4.1
229.15739	3.0
237.16406	5.5
253.15746	4.5
255.17340	4.4
283.20544	15.7
291.21060	15.2
299.20224	4.9
301.17966	5.9
309.22113	26.7
327.23032	3.3
336.16858	3.4
445.27405	4.8
581.39874	41.1
599.40814	63.7
617.41968	68.1
635.43152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.1
56.73380	1.2
62.34809	1.2
67.05495	3.5
69.07064	1.9
79.05489	1.9
81.07055	8.1
83.04953	3.3
91.05480	2.3
93.07049	10.6
95.08600	10.0
105.07021	16.1
107.08584	19.1
109.10121	10.9
117.06971	1.5
119.08568	15.9
121.10126	20.7
123.08083	1.5
123.11666	12.3
131.08574	8.4
133.10109	41.4
135.08043	11.1
135.11684	20.1
137.09631	3.0
145.10059	10.5
147.11670	24.9
149.09630	10.3
149.13208	12.6
151.11177	3.2
155.08516	1.7
157.10141	2.9
159.08052	2.0
159.11670	15.1
161.09546	14.6
161.13272	8.4
163.11168	19.7
163.14819	2.1
169.10014	1.6
169.40523	1.4
171.08098	1.8
171.11693	7.5
173.09554	13.0
173.13242	32.2
175.11166	14.8
175.14771	29.2
177.12738	8.0
183.11722	3.3
185.09637	3.4
185.13246	3.7
187.11209	10.2
189.12712	14.1
191.14270	8.0
197.13310	6.1
198.14111	1.6
199.11171	7.7
199.14842	7.7
201.12701	10.5
201.16341	6.0
203.14452	2.1
209.13315	3.3
211.14877	6.5
213.12764	8.8
215.14302	8.7
223.14835	6.8
225.16531	2.3
227.14397	6.9
229.15869	2.9
237.16396	6.1
239.14417	5.3
239.17998	2.3
241.15744	3.0
249.16467	3.0
251.14064	1.9
251.17986	2.1
253.15967	2.4
255.17439	8.1
265.15903	2.0
265.19504	2.4
267.17426	2.5
279.17642	1.9
279.21170	6.1
281.15344	2.0
281.19333	2.1
281.78659	1.6
283.20636	2.4
289.19620	5.9
291.21030	7.8
307.20441	24.7
309.22092	26.5
325.21588	27.9
327.23206	3.2
373.97549	1.7
391.25888	2.2
427.26398	6.4
445.27469	8.5
493.82581	1.8
545.38055	1.6
563.39081	7.2
581.39807	80.6
599.40887	100.0
617.42017	60.3
635.43011	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	635.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57332	2.0
67.72369	2.4
73.66803	2.5
80.19976	2.3
81.07055	4.9
93.07018	3.7
95.08599	10.2
101.01769	2.5
105.07006	4.2
107.08557	4.4
109.10174	3.2
111.50440	2.8
116.74390	2.4
117.44427	2.5
118.99748	2.9
119.08617	4.7
121.10136	10.5
123.11678	11.2
133.10109	24.6
135.08043	6.0
135.11661	4.9
145.10146	4.0
147.11688	11.5
149.09589	3.9
149.13284	2.8
151.94038	2.5
152.42085	2.7
159.11723	11.6
161.09621	10.9
161.13326	4.2
163.11174	18.2
171.11653	2.8
173.09572	5.7
173.13222	12.1
175.11192	12.4
175.14832	16.1
177.12695	3.2
189.12744	10.2
199.11174	4.4
199.14749	3.8
201.12798	4.0
211.14575	2.9
213.12775	4.3
215.14244	2.8
227.14236	3.4
239.14270	3.6
280.13269	2.9
291.21136	4.4
291.49158	3.0
298.67294	2.7
309.22076	17.5
364.24896	2.9
463.28574	19.1
581.39679	4.0
599.40887	100.0
617.41803	32.6
635.42621	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	635.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86298	3.9
57.16971	4.1
69.68284	4.8
81.07052	10.8
83.08587	4.8
85.07638	4.5
93.07014	10.4
95.08599	10.6
98.46420	4.6
103.53484	5.0
105.06977	6.1
107.08588	9.9
109.10105	10.4
119.08563	27.8
121.10139	11.7
123.11691	12.0
133.10095	39.7
135.08047	9.9
135.11664	18.5
140.43001	4.7
145.10120	5.9
147.08031	9.4
147.11687	24.0
149.09615	8.9
149.13196	4.8
159.11630	10.8
161.09563	6.9
161.13191	7.0
163.11179	10.2
171.09976	5.0
171.11714	6.0
173.09628	8.7
173.13251	38.8
175.11165	10.7
175.14809	20.6
175.89290	4.9
187.11214	8.6
189.12688	11.9
211.11093	5.1
213.12540	7.3
215.14168	18.1
253.19284	6.4
255.17487	7.0
283.20511	7.2
291.20947	12.3
301.18057	8.1
301.21420	6.5
309.22162	26.8
537.12579	5.7
581.39758	32.2
599.40588	55.2
617.41821	76.2
635.42969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96499	5.5
75.38813	5.4
77.32467	5.5
79.05473	6.9
81.07065	7.3
93.07058	7.3
95.08594	12.2
105.07034	9.2
107.08582	25.7
111.24810	5.5
121.10113	13.1
123.11723	6.8
125.92416	6.4
131.08554	6.5
133.10129	24.3
135.08051	11.5
135.11656	30.9
137.09648	6.6
145.10149	12.0
147.11694	24.2
149.09584	10.4
149.13182	8.9
159.11653	14.7
161.13251	14.7
163.11137	10.3
171.11659	9.4
173.09589	8.4
173.13287	31.9
175.11107	9.4
175.14738	7.8
183.11662	7.3
185.13228	9.4
201.12689	5.9
241.15956	6.3
271.87613	6.4
354.55316	6.3
581.39972	49.5
595.29498	7.0
599.40686	69.2
617.41766	76.1
635.43274	100.0
640.27118	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	637.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	2.9
81.03400	9.5
85.02890	6.3
93.50951	1.5
97.02899	2.6
106.02900	26.0
109.02843	15.9
116.19832	1.6
117.14803	1.4
121.48817	1.2
121.97628	1.4
124.03928	62.3
127.03890	7.2
150.53983	1.4
162.05460	100.0
168.40582	1.4
190.04965	11.4
208.06093	5.1
250.06992	1.8
268.08084	31.7
430.13831	2.9
475.13254	6.1
498.32285	1.5
512.07825	1.6
601.16229	9.2
619.17468	7.7
637.18500	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	637.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05000	0.5
61.02922	0.8
74.02443	12.9
85.02903	7.7
85.77999	0.5
86.09708	5.4
87.05591	36.5
88.03980	6.2
88.19593	0.5
91.03953	1.4
95.58918	0.5
97.02848	1.2
108.43190	0.5
112.20683	0.6
116.03448	8.6
122.91422	0.6
125.36988	0.6
127.03920	7.0
132.10191	2.5
133.06087	100.0
144.51338	0.6
145.04944	4.7
146.88908	0.5
154.41869	0.6
163.05966	1.3
188.03508	0.6
264.00443	0.6
325.11301	3.0
328.96930	0.7
448.58218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58619	2.0
53.03957	2.5
55.05503	5.1
57.03428	18.8
57.06849	2.4
57.07074	42.7
61.02919	66.6
61.42629	2.3
67.05502	9.8
69.03423	25.6
69.07057	3.8
71.08617	28.7
71.36214	2.4
73.02916	21.6
75.20240	2.6
81.03407	25.4
81.07037	16.8
83.08612	14.4
83.09126	2.3
85.02890	82.8
85.10179	19.9
87.04459	2.7
91.03928	41.5
93.07018	3.3
94.52470	2.2
95.08586	26.0
97.02880	73.9
97.10152	4.8
99.04433	13.2
101.02367	6.0
103.03938	11.1
109.02833	12.5
109.10148	12.5
115.03907	3.5
123.11692	4.9
127.01798	2.4
127.03876	30.7
145.04918	11.4
163.53760	2.5
183.06532	11.0
185.37898	2.4
201.07593	4.9
239.23657	11.7
257.24710	5.6
313.27325	100.0
331.28461	2.8
340.26157	2.9
341.26785	3.6
355.28561	3.7
397.29416	2.8
439.30515	10.1
452.89862	3.3
457.31680	25.6
475.32828	4.2
601.40985	3.6
637.37427	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	637.4458
Annotation	Mactraxanthin
Peak:m/z	Relative Intensity
55.05503	2.0
67.02816	2.2
67.05494	4.6
68.09660	2.2
69.07063	2.8
79.05495	2.2
81.07051	11.2
83.08593	2.5
90.94196	2.0
91.05469	2.7
93.07036	10.6
95.08600	17.2
97.10137	2.2
105.07013	24.9
107.08573	22.6
109.10136	16.4
112.28445	1.9
119.08575	23.9
121.10120	29.9
123.11684	26.0
131.08549	3.1
133.10114	65.3
135.08051	12.6
135.11705	22.0
136.59244	2.0
137.09627	4.4
143.08542	2.2
145.10135	10.1
147.08075	3.0
147.11655	35.0
149.09683	2.6
149.13261	8.8
157.10141	8.1
159.07954	3.0
159.11649	25.4
161.09581	20.6
161.13210	18.5
163.11142	14.2
166.90993	2.7
171.11646	7.4
173.09608	10.0
173.13263	17.7
175.11200	16.1
175.14819	43.5
177.12723	3.7
183.11652	7.6
185.13290	7.6
187.11227	13.4
189.12752	14.4
197.13287	7.7
199.11220	3.2
199.14880	17.5
201.12703	16.1
201.16490	9.3
205.22400	2.4
209.13266	3.8
211.14822	4.1
213.12755	4.4
215.14381	15.4
217.15936	2.8
221.13272	3.1
223.14900	3.2
225.16370	4.4
227.14252	2.6
235.14828	4.1
237.12970	2.6
237.16348	4.9
239.14305	9.4
239.17938	3.1
249.16284	3.9
251.17867	3.6
253.15877	4.1
255.17467	3.8
257.19046	2.3
267.17389	2.8
281.22791	4.9
291.21005	22.9
309.22067	51.7
327.23285	8.2
416.34619	2.2
429.27975	3.9
447.28635	3.4
547.39575	3.7
565.40259	29.6
583.41425	66.5
601.42596	60.0
619.43829	37.1
637.44684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99199	0.6
53.78940	0.5
57.68422	0.5
71.07335	0.7
79.80756	0.6
86.09685	14.0
92.08316	0.6
104.10722	78.8
121.33330	0.7
143.18834	0.6
147.03903	0.6
186.31393	0.7
234.58176	0.6
236.99196	24.6
296.06528	100.0
299.49710	0.7
411.50073	0.8
664.18414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74718	3.1
58.73894	2.4
61.02916	15.3
61.76157	3.1
64.45478	2.9
69.03422	21.3
73.02916	4.5
74.02434	39.3
82.89848	2.9
85.02901	100.0
86.09730	4.1
87.05583	15.6
88.03986	36.5
91.03934	20.3
97.02863	28.0
99.04432	6.5
104.10719	3.2
116.03434	26.7
127.03896	62.1
127.40755	3.3
127.86845	2.9
133.06071	60.3
134.04482	63.5
134.06474	5.7
134.08168	5.0
145.04942	54.9
163.05966	40.6
236.92099	3.5
315.74686	3.3
325.11255	40.8
343.12152	4.8
491.46576	4.0
511.19144	3.8
525.19458	3.5
534.22339	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	639.1918
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
57.03402	0.1
57.19896	0.1
62.68642	0.1
71.04979	0.6
82.86499	0.1
85.02905	0.8
124.03886	0.1
129.05420	0.1
153.01759	0.1
177.05457	0.1
178.02570	0.1
187.07243	0.1
211.89619	0.1
270.05164	2.5
286.04660	0.1
287.05597	0.8
301.03400	0.5
302.04211	0.1
306.06064	0.1
315.04944	8.6
316.05734	5.2
316.09479	0.1
331.08078	100.0
382.52438	0.1
493.13293	1.0
580.19464	0.1
639.19159	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	639.1915
Annotation	Dillenetin 3-neohesperidoside
Peak:m/z	Relative Intensity
57.03394	0.5
58.26566	0.1
66.15827	0.1
68.70844	0.1
69.62596	0.1
71.04990	3.3
75.04436	0.2
85.02898	3.8
90.05960	0.1
118.94209	0.1
129.05388	0.5
175.22862	0.1
207.70270	0.1
260.52618	0.2
270.05243	1.3
286.05121	0.1
287.05524	0.4
315.04935	4.6
315.08542	0.2
316.05725	3.1
331.08078	100.0
493.13364	23.2
639.19147	4.6
657.25146	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	639.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
91.08703	1.0
92.17368	1.1
155.18651	1.0
197.24719	1.1
329.29260	1.2
346.17377	1.2
362.41656	1.2
485.36517	1.0
498.47388	1.0
523.48682	1.1
639.40009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40256	2.2
87.05527	3.5
91.05470	4.3
105.07024	5.2
111.02943	2.7
119.04932	16.7
124.03965	2.9
133.06134	12.4
137.05977	11.9
146.87250	2.8
147.04417	14.8
149.05975	4.6
150.72765	2.6
151.03842	5.0
151.07552	10.5
153.01811	83.0
160.94792	3.1
161.05919	5.6
162.06732	13.4
165.67569	3.3
179.06987	14.3
213.05466	10.9
241.04892	58.1
258.05042	3.4
258.92691	3.1
269.04434	6.6
273.07535	17.7
286.04617	24.7
297.44763	2.6
301.06946	27.9
311.05502	3.5
314.04065	3.1
329.02811	4.6
329.06522	100.0
331.08075	63.2
372.24857	3.0
373.09171	3.1
401.83224	2.8
491.13205	5.7
553.32446	2.8
568.22070	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	642.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19895	3.5
52.76772	3.0
59.68124	3.6
60.59138	3.0
76.02201	18.1
107.08537	6.0
119.08510	3.9
127.74931	4.5
135.08043	4.1
147.07988	47.3
153.40918	3.6
159.11766	4.8
162.02155	17.1
173.09612	6.3
173.13219	20.6
179.04851	7.1
215.14279	5.6
225.69299	3.9
229.56531	4.1
233.05708	8.6
247.02196	4.2
253.19447	5.7
269.18967	4.0
271.20432	5.8
279.37906	4.4
281.18961	24.4
284.91565	3.9
299.19940	34.6
308.09091	20.0
317.21014	36.8
335.22107	19.6
352.55243	3.9
487.79758	4.8
639.88434	4.4
642.30353	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	644.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91201	5.5
57.07063	51.9
57.93066	6.1
61.02913	11.5
62.18384	6.5
62.51796	5.9
67.05504	9.7
67.82327	5.3
69.07059	12.9
69.21996	5.8
71.08618	53.1
81.07042	27.6
81.37740	6.1
83.08598	10.7
85.02876	25.5
85.10159	33.8
90.67699	6.2
91.03931	15.6
93.87952	6.5
95.08595	32.2
95.76131	6.9
97.02868	11.2
97.10145	9.9
103.83211	6.2
104.51094	6.3
108.89799	6.0
109.10146	13.4
145.04886	8.9
163.05954	11.0
211.20549	25.9
285.24170	58.9
303.25296	100.0
326.38315	6.2
326.62793	7.4
341.42505	7.8
403.65692	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	645.3772
Annotation	Accedinisine
Peak:m/z	Relative Intensity
78.14914	4.5
105.07023	7.8
106.40347	4.4
111.07825	4.0
121.06514	6.2
121.10181	5.1
133.10074	9.3
135.08018	4.7
137.09601	5.6
145.10054	5.6
147.11665	17.7
149.09575	10.8
161.09479	4.9
163.11140	6.3
171.65060	5.4
187.07506	7.0
210.13960	7.0
227.14221	9.9
245.15572	4.3
248.29027	4.4
252.15042	5.7
259.42355	4.8
265.63901	5.1
475.25079	5.7
490.50131	5.5
603.36493	5.8
609.35400	6.3
627.36493	61.9
632.15350	5.5
645.37695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3782
Annotation	Accedinisine
Peak:m/z	Relative Intensity
51.78783	3.6
55.05487	4.6
57.21230	3.5
57.45224	3.8
64.66746	3.9
81.07048	9.8
82.30884	4.2
83.04976	5.2
83.08605	4.1
95.08612	9.8
95.32539	4.9
105.07033	6.1
107.08587	6.2
121.06441	6.9
121.10162	8.5
126.93984	5.2
131.08607	7.3
133.10124	9.2
135.11690	6.8
147.11629	6.0
149.09604	24.7
149.90988	4.9
155.84908	5.1
159.07990	7.1
161.13246	5.2
163.11041	7.7
168.70561	4.7
171.11731	8.1
173.09613	6.1
175.11331	6.6
183.77725	4.5
185.09607	6.9
187.11217	8.1
189.12715	4.8
199.14877	6.5
201.09163	6.1
213.12944	6.7
215.10593	5.6
224.15656	6.7
237.12819	5.8
252.15135	21.8
271.17081	6.1
386.06232	4.5
585.35724	6.1
605.43982	5.2
609.35352	39.1
627.36774	100.0
645.37811	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3777
Annotation	Accedinisine
Peak:m/z	Relative Intensity
53.25825	2.0
57.27323	2.0
67.86209	2.1
87.96999	2.3
93.20287	2.2
95.08578	2.7
105.07067	2.4
107.08550	3.9
109.10198	3.0
119.08524	2.3
121.06510	3.2
121.10124	3.4
133.10197	2.9
135.08015	2.6
135.11697	3.8
135.49551	2.3
137.09584	2.9
145.09949	2.9
147.11676	3.9
149.09608	4.8
163.11153	3.8
165.48534	2.5
171.08029	4.1
173.13251	9.8
183.11525	3.2
184.53511	2.7
187.07491	3.8
199.11092	4.0
203.10678	9.0
211.14787	2.9
226.17178	3.6
236.15611	2.7
239.14229	3.1
253.15916	2.6
254.16652	2.7
266.23199	2.5
295.16699	4.3
463.62961	2.6
484.85178	2.7
609.35547	13.8
627.26416	3.9
627.36713	100.0
645.37939	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	645.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22995	7.2
53.78604	7.2
53.85365	8.1
58.24456	7.8
58.27487	8.3
58.58626	7.0
67.18555	9.6
71.30679	8.2
80.62159	8.6
151.07156	10.7
195.09943	100.0
225.10913	21.6
235.13040	59.1
236.13864	13.2
265.14069	90.4
275.16153	54.4
276.16931	48.1
333.20352	85.4
335.21790	73.8
645.43549	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	647.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91419	2.6
71.35058	2.4
80.99700	2.6
81.07064	4.3
83.04963	5.4
85.60158	2.6
93.07012	3.8
95.08579	6.1
103.22982	2.9
105.07005	6.7
107.08576	13.4
109.10146	6.5
109.12320	3.1
110.32688	3.0
119.08559	5.9
121.06435	3.4
121.10120	14.6
123.08028	4.4
123.11686	12.1
131.08514	5.1
133.10121	30.5
135.08000	4.9
135.11676	7.0
137.09671	5.1
139.11191	3.1
143.08524	5.6
145.10112	6.1
146.57956	3.3
147.08020	5.4
147.11691	14.8
149.09575	21.1
149.13232	3.5
159.08055	13.1
159.11703	5.0
161.09595	7.4
161.13280	3.7
163.11171	6.7
171.08011	5.7
171.11565	5.8
173.09644	5.6
173.13306	4.3
175.07639	3.6
175.11160	11.5
175.14864	6.3
176.87892	3.3
183.11659	4.2
185.09602	6.9
185.13370	3.4
187.11205	6.3
189.12802	5.4
191.10626	3.7
201.09108	4.5
201.12816	4.0
203.10701	3.5
205.12032	4.9
211.14857	5.0
225.16402	3.4
227.14201	5.0
237.16502	3.8
238.17137	11.8
253.15738	3.8
255.17305	7.0
273.34412	3.2
297.18362	3.8
305.19052	3.4
434.97739	3.3
593.36060	5.1
611.37115	73.4
629.38348	77.1
647.39423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07041	3.0
83.04970	4.4
95.08585	5.2
107.08648	3.1
121.10160	4.9
129.26065	2.3
133.10121	11.7
135.08041	3.8
135.11685	3.5
147.11667	5.5
149.09648	10.9
159.11681	2.3
161.09590	4.6
163.11180	5.5
169.11818	2.3
171.08023	2.7
171.11600	2.9
173.09532	3.5
173.13223	5.8
175.11130	3.0
187.07594	2.9
187.11139	4.3
189.12698	3.4
199.11174	3.4
201.09099	3.0
203.10709	2.5
203.14459	3.0
205.12245	2.4
211.11189	4.1
226.87730	2.5
236.15590	4.3
239.14355	5.7
244.99358	2.4
253.15848	3.4
254.16675	11.1
260.15903	2.4
271.16986	2.8
293.18854	4.0
301.32614	2.6
354.27673	2.9
593.36761	3.7
611.37439	23.3
629.38397	100.0
647.39526	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	647.393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73561	1.0
52.93364	1.2
53.78972	1.1
55.05510	1.9
67.46466	1.2
69.07053	9.6
79.05513	1.7
81.07066	4.9
83.04963	15.3
83.08599	2.3
89.89211	1.1
91.05453	2.3
92.17395	1.8
93.06999	6.2
95.08609	7.1
97.06514	1.6
102.39858	1.3
105.07007	6.6
107.08584	10.8
109.10146	9.0
111.08073	2.1
114.74962	1.3
119.08560	6.7
121.02786	1.4
121.06493	9.5
121.10153	12.7
123.08032	1.6
123.11682	3.1
131.08556	7.5
133.10129	8.6
135.08070	8.0
135.11707	3.0
137.09615	3.3
143.08559	2.1
145.10101	6.9
147.08043	8.4
147.11681	8.6
149.09599	24.7
151.11191	2.9
157.10135	5.7
159.08046	6.5
159.11664	16.5
161.09569	5.9
161.13237	2.1
163.11104	4.8
165.12770	1.9
169.10098	5.6
171.08020	3.2
171.11705	6.4
173.09660	6.3
173.13213	15.4
175.07481	2.2
175.11166	6.2
183.11674	2.6
185.09593	6.4
187.07594	10.6
187.11166	6.2
189.09087	5.5
189.12526	4.4
191.10550	2.1
191.14336	2.8
197.09578	2.0
197.13278	7.2
199.11143	6.2
199.14752	3.1
201.09131	6.9
201.12653	2.3
203.10672	7.1
211.11287	1.5
211.14830	6.6
212.15599	2.9
213.12814	3.1
213.16420	1.6
215.14485	2.0
221.13170	6.2
223.11156	1.6
225.12720	5.7
225.16396	3.0
226.17177	7.7
227.17877	2.2
229.15813	1.7
235.14838	3.0
236.15657	9.4
237.16461	2.2
239.14313	7.2
253.15891	7.0
254.16695	8.1
255.13994	1.5
255.17372	2.5
265.50220	1.7
271.16946	2.1
279.17520	2.6
293.19235	1.6
303.17401	2.7
321.18546	3.2
339.19589	2.2
340.46686	1.4
587.37164	5.7
593.36426	3.1
611.37195	49.2
629.38287	100.0
647.39331	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	647.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05228	4.2
69.15213	4.6
83.04958	8.0
95.08562	6.1
105.07013	6.4
121.10152	9.3
133.10124	8.3
135.07980	8.4
135.11726	7.5
147.11607	8.5
149.09598	27.1
159.08058	8.0
159.11658	7.8
161.09576	9.6
163.11134	7.2
173.09608	5.2
173.13176	6.2
185.09599	6.7
187.11263	5.5
193.14130	4.5
203.10645	7.3
225.12775	6.5
226.17020	5.1
254.24689	11.3
278.93262	4.9
289.88559	6.0
297.07724	4.9
611.36810	27.5
629.38214	90.0
647.39404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06103	1.5
60.63129	1.4
67.05487	1.7
71.86815	1.4
81.07053	2.0
85.77856	1.6
90.76272	1.6
95.08582	3.8
105.07040	2.7
105.95126	1.6
107.08586	6.3
108.49498	1.6
109.10137	3.8
113.31157	1.8
119.08551	2.2
121.10137	7.1
133.10141	6.1
135.08025	3.5
137.09631	3.8
144.47107	1.6
145.00974	1.7
145.10110	6.0
147.08034	2.4
147.11676	3.3
149.09587	4.1
157.10063	2.4
159.11691	2.8
161.09584	7.0
161.13223	6.5
163.11162	17.0
165.09071	3.3
171.11639	2.7
173.09567	14.7
173.13199	3.7
177.12756	4.1
187.11137	2.4
189.12732	29.5
199.11235	2.0
201.12785	7.0
211.14742	2.2
213.12758	3.2
215.14249	7.6
227.14339	10.5
229.15869	3.8
237.16338	1.9
239.14427	2.3
241.15752	3.3
243.01941	1.6
255.17409	9.2
271.20416	3.0
277.19440	3.8
281.18896	2.8
284.18387	1.8
295.20490	31.5
299.20316	1.7
313.21555	24.8
323.20093	8.6
341.21313	12.9
370.56729	2.0
485.74158	1.8
611.37506	3.3
629.38373	28.7
647.39209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99995	2.6
55.05499	5.2
57.09224	2.6
64.20937	3.1
64.40961	3.5
78.09494	3.4
81.07079	3.8
83.04964	6.8
83.08590	5.6
91.05467	3.6
93.07024	5.2
95.08604	6.1
107.08563	7.1
109.10135	4.5
119.08534	6.9
121.06464	6.4
121.10142	13.8
123.08017	3.9
133.10110	3.7
135.08031	8.7
135.11671	3.8
137.78256	3.3
147.07985	7.5
149.09616	17.6
157.10036	3.6
159.11688	4.4
161.09613	5.9
163.11159	6.9
173.09552	6.2
173.13148	6.8
185.09570	8.2
187.11075	4.0
239.14206	4.6
257.67981	3.7
292.25793	4.0
508.63440	3.7
593.35754	6.8
611.36993	22.2
629.38190	65.0
646.64063	4.1
647.39264	100.0
679.07404	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	647.5713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07423	3.3
55.05506	3.2
62.05798	5.3
62.06089	100.0
67.05495	8.5
69.07034	5.1
81.07059	22.1
83.08598	4.3
85.96184	3.6
93.07018	7.1
95.08589	22.6
100.22439	4.0
109.10127	6.0
121.10110	4.7
123.50045	3.6
149.09564	4.9
175.14674	4.7
239.27444	3.7
247.16258	4.4
323.78766	4.3
324.28964	67.6
331.73141	4.8
487.23892	5.3
519.00488	4.2
594.14490	4.6
629.38269	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	648.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31173	3.7
61.57869	4.0
61.81603	4.2
64.15461	3.7
95.08597	5.2
107.08603	5.8
109.06501	5.1
109.10136	6.1
119.08533	4.2
123.11722	4.6
134.06273	5.0
135.07980	8.0
147.11682	6.8
149.09572	6.3
161.09612	6.3
163.11160	5.1
171.11658	5.1
173.13237	9.0
175.11148	9.4
189.12752	8.6
199.11234	6.5
212.89784	5.1
265.19656	4.2
279.21204	4.9
307.20496	19.3
325.21716	31.9
436.12979	4.7
474.33463	4.6
512.23328	5.0
571.37653	5.7
577.36884	5.7
595.36914	7.1
613.38867	100.0
631.40173	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4093
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
52.16199	2.0
56.42793	2.3
62.61826	2.5
67.02345	2.2
81.07049	3.2
83.04932	3.3
84.83890	2.3
93.07014	2.9
105.07009	2.5
107.08545	3.0
109.10151	5.4
121.10135	3.9
131.08574	4.7
133.10135	6.1
135.08035	4.5
135.11623	2.9
145.10114	5.4
147.11647	3.7
149.09637	5.6
159.11682	10.9
161.09607	6.3
161.13298	4.6
163.11165	21.5
173.09590	14.4
173.13293	4.3
175.11172	3.0
184.07295	9.9
187.11227	3.3
189.12750	29.3
199.11133	3.5
215.14330	5.5
227.14163	3.4
229.16058	2.9
239.14320	3.3
241.15904	3.1
253.15846	3.0
255.17363	11.9
269.18921	4.4
281.18973	3.0
295.20581	26.6
313.21399	17.7
323.20023	4.9
325.21591	4.6
341.21164	14.3
504.66669	3.3
549.37549	3.0
595.37561	4.6
609.51239	2.7
613.38440	16.6
631.31836	2.8
631.39996	46.5
649.40948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4084
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
55.05507	2.0
60.09901	0.9
67.05484	2.1
69.07056	2.7
81.07040	8.1
83.04973	7.2
83.08595	2.4
85.06530	1.4
91.05460	2.8
93.07039	6.8
95.04942	1.2
95.08576	9.2
105.07001	15.1
107.08591	12.2
109.06481	1.8
109.10139	9.0
117.07022	1.5
119.08579	9.1
121.06509	8.9
121.10115	19.5
123.08066	4.5
123.11682	18.0
131.08556	6.6
133.10100	29.9
135.08028	12.0
135.11664	12.8
137.09593	4.4
137.13319	1.3
139.11189	2.6
139.95599	1.5
142.75116	1.2
143.08574	4.5
145.10080	8.9
147.08055	7.1
147.11673	15.0
149.09561	13.6
149.13278	5.7
151.11215	4.8
155.08507	1.7
157.10146	7.0
159.08049	6.8
159.11644	12.8
161.09625	8.1
161.13257	6.5
163.11182	9.7
165.12723	2.0
169.10124	2.6
171.08107	4.3
171.11642	9.8
173.09586	8.7
173.13187	13.9
175.07576	1.5
175.11218	7.3
175.14851	10.4
181.10229	1.3
181.12245	1.1
183.11700	4.8
185.09639	6.4
185.13208	2.1
187.07544	4.3
187.11121	8.5
189.09065	5.4
189.12785	6.0
191.10674	1.4
191.14398	4.7
195.11748	4.5
197.09688	1.3
197.13263	2.7
199.11212	2.6
199.14809	6.0
201.12817	6.7
201.16335	1.9
203.10596	4.1
205.12181	8.7
207.11674	1.3
209.13177	1.5
211.11133	1.5
211.14874	2.0
213.12860	2.0
213.16478	2.2
217.15936	1.4
221.13425	1.4
223.11214	1.7
223.14847	5.9
225.12720	2.6
225.16336	1.7
227.14404	1.7
227.17964	5.1
229.15919	2.4
237.12808	1.6
237.16431	5.5
238.17029	10.5
239.17975	2.7
241.12245	1.9
241.15955	2.5
249.12862	1.4
255.17284	8.7
257.18982	2.0
261.12784	1.2
267.13718	1.9
267.17471	1.3
274.95676	1.2
279.17545	2.0
281.19153	1.6
297.18652	1.5
298.26563	1.3
303.17413	1.4
321.18567	1.9
323.20004	2.5
339.19492	2.1
341.21100	2.0
360.12506	1.2
387.23193	1.2
577.36810	2.3
595.37726	9.6
613.38849	100.0
631.39862	85.8
631.50739	1.9
631.75964	1.3
649.40906	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	649.4086
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.02987	0.8
55.05507	1.3
58.35675	0.9
62.70317	0.7
67.05494	1.8
68.17342	0.7
69.07051	1.1
81.07043	4.2
83.04971	8.9
91.05441	1.7
91.11255	0.8
93.06997	4.2
95.08572	5.6
97.06492	0.9
105.07000	9.4
106.00800	0.9
107.08558	6.7
108.42825	0.8
109.10138	3.8
111.08053	1.0
111.11607	0.8
117.06978	0.9
117.19666	0.8
119.08530	5.9
121.06487	4.5
121.10116	9.0
123.08029	3.4
123.11686	2.0
125.09612	0.8
131.08556	4.6
133.06483	1.0
133.10123	8.4
135.08032	12.7
135.11642	4.5
137.09608	3.2
143.08548	3.2
145.06482	0.9
145.10138	4.4
147.08032	4.3
147.11613	8.1
147.53764	0.8
149.09589	15.6
149.13242	1.8
151.11174	3.5
155.08498	0.8
157.10077	5.5
159.08012	1.8
159.11594	6.2
161.09505	7.0
161.13252	3.3
163.11133	7.4
163.14804	1.6
165.12749	1.4
169.10083	3.1
171.08130	1.8
171.11659	5.2
173.09584	5.6
173.13188	9.1
175.11153	8.0
175.14807	1.0
177.12747	1.1
181.10161	1.0
183.11717	1.4
185.09633	1.6
185.13252	1.6
187.07712	0.8
187.11185	5.2
189.09238	0.8
189.12625	5.6
189.16301	2.0
191.14389	3.7
195.11681	1.4
197.13263	3.4
199.11189	4.0
199.14803	3.8
201.12756	2.0
201.16501	0.8
203.14432	1.5
205.12209	1.2
207.11667	1.0
211.11127	1.3
211.14803	1.2
213.12730	3.1
213.16304	1.7
215.14194	1.6
217.12247	2.0
217.15889	1.7
223.14680	2.6
225.12769	1.6
227.14366	1.7
229.15865	1.7
235.14832	2.9
237.16348	1.7
239.14388	1.1
241.15842	1.3
253.15817	1.5
255.17369	5.0
263.14255	1.2
271.16971	1.1
273.18454	2.0
281.18893	2.0
289.19559	1.0
305.19083	3.7
307.20523	1.6
323.19928	1.7
340.17624	0.9
341.21158	1.6
367.22672	3.3
381.24191	1.6
396.52484	1.0
461.26691	1.1
595.37909	4.7
613.38702	14.4
631.39777	39.4
649.40894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.409
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
57.10073	2.7
58.44532	2.5
59.88070	2.5
61.67828	2.3
69.07024	3.9
69.97436	2.6
80.18467	2.6
81.07014	6.7
83.04964	6.7
91.05479	3.0
93.07014	6.7
95.08582	6.8
103.31832	2.8
105.07011	22.7
105.74999	2.7
107.08572	16.1
109.10143	12.5
119.08555	12.8
121.10111	23.4
123.11654	12.7
131.08565	4.7
133.10075	23.2
135.08035	15.7
135.11676	10.9
137.09593	4.6
145.10110	4.2
147.08011	17.4
147.11649	19.7
149.09566	14.5
149.13274	3.5
151.11159	4.4
157.10109	5.1
159.08003	6.8
159.11684	5.2
161.09544	11.9
161.13222	13.1
163.11086	5.9
171.08022	4.5
171.11679	6.5
173.09573	11.0
173.13228	15.0
175.11118	6.3
175.14841	4.2
177.12828	3.5
178.17767	2.9
185.09566	4.4
185.13210	4.4
187.11191	8.5
189.12718	3.1
199.11176	5.7
199.14799	3.9
201.12733	6.3
205.12135	3.4
213.12662	3.7
223.14780	4.2
237.16255	5.0
238.17052	3.6
239.14230	4.4
248.90677	2.6
253.15889	5.4
253.80125	2.9
255.17409	5.8
269.18890	5.9
295.20413	3.4
315.19580	6.9
323.20148	3.7
333.20554	10.6
595.37903	12.0
613.38715	94.7
631.40088	56.2
649.30933	4.6
649.40918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4089
Annotation	Uncarinic acid C
Peak:m/z	Relative Intensity
50.65475	1.3
60.83987	1.3
67.05489	1.7
70.32172	1.5
75.91702	1.3
78.91383	1.4
81.07036	2.4
83.04965	2.6
83.08617	1.7
88.01135	1.4
91.05470	1.7
91.55206	1.4
91.81520	1.3
93.07042	1.5
95.08590	3.5
105.07040	6.2
107.08596	3.2
109.10178	2.2
119.08567	3.7
121.06523	1.4
121.10114	11.3
123.08082	3.2
131.08598	3.0
133.10118	8.9
135.08047	7.4
135.11685	3.8
137.09641	3.8
145.10072	3.4
147.08041	3.0
147.11678	8.2
149.09587	7.0
149.13226	1.9
157.10107	2.7
159.11729	2.9
161.09573	6.4
161.13266	8.5
163.11133	15.4
165.09099	2.3
171.11653	5.8
173.09618	9.2
173.13223	13.5
175.11218	3.4
177.12779	2.6
183.11726	1.7
187.11127	2.8
189.12717	48.3
191.14374	3.1
197.13321	2.6
201.12645	1.7
213.12733	3.8
215.14413	6.2
223.14845	2.2
227.14473	2.2
229.15750	2.4
241.15837	7.9
246.12981	1.6
249.16359	2.5
251.18221	1.7
253.15936	2.7
255.17393	2.0
273.22452	1.8
279.17056	1.9
279.21161	2.6
281.18890	8.3
283.20676	3.2
289.19437	2.7
295.20581	2.6
297.22177	6.5
299.20029	2.5
307.20587	14.9
323.19977	2.4
325.21582	17.2
343.22632	3.2
553.37207	1.7
577.35626	2.1
585.39081	1.7
595.37219	12.4
605.11041	1.7
613.38928	19.7
631.39825	41.6
649.40900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45766	3.7
81.07041	3.9
92.16797	6.8
95.08591	3.7
107.08607	6.5
121.10179	5.1
133.10139	3.7
135.11693	4.5
145.10133	4.6
147.11676	5.1
159.11684	5.3
161.09674	3.5
161.13243	5.4
163.11140	6.5
173.09676	6.1
173.13272	17.7
175.11206	6.9
177.12642	4.9
213.12752	3.9
215.14243	4.2
227.17616	5.3
239.14307	4.7
250.24599	3.6
253.15906	6.2
269.22549	4.7
307.20529	17.2
325.21649	22.9
343.22650	6.8
347.44241	3.7
409.24500	3.6
597.39124	13.9
615.40265	31.4
633.41528	49.9
651.42670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80816	3.6
79.83149	4.2
93.07021	5.2
95.08613	9.0
99.39808	4.0
102.37553	4.1
105.06997	7.5
107.08572	5.7
109.10181	7.2
119.08584	4.7
121.10117	9.0
123.11762	4.4
128.13098	4.2
131.08533	5.4
133.10074	9.8
135.08023	4.8
135.11679	22.7
137.09628	5.1
145.10085	6.1
147.11720	9.4
149.09700	8.4
159.11667	9.4
161.09612	5.4
161.13188	5.2
163.11171	24.7
171.65482	4.1
173.09654	7.4
173.13292	20.6
175.11224	12.9
183.11638	4.5
185.09657	4.8
187.11046	5.0
189.12711	7.4
191.14261	5.4
201.12706	5.3
208.58357	4.1
209.92313	4.7
215.14249	5.4
223.87834	4.1
241.15784	6.6
253.15784	6.7
279.21091	6.5
283.20450	6.3
297.22086	16.1
307.20523	33.3
325.21481	31.9
329.31134	4.0
343.22922	8.5
365.16046	4.4
496.32996	4.2
496.45435	3.9
509.42059	5.3
540.70862	4.1
579.38141	18.3
597.39288	41.9
615.40424	50.7
633.41553	92.6
636.70306	5.8
651.42426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45389	4.4
67.39472	4.4
81.07056	6.2
88.67107	5.0
95.08592	7.2
102.94986	5.0
105.06992	20.6
107.08577	11.3
109.10192	7.3
119.08587	7.3
121.10075	7.0
123.11690	8.5
133.10129	23.3
135.08020	28.3
135.11668	9.1
147.07979	5.8
147.11673	8.3
161.09575	6.1
171.11684	6.9
175.14763	11.7
189.12679	5.5
255.17479	7.5
590.37360	6.2
597.39172	11.7
615.40234	100.0
633.40875	27.0
651.42535	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	651.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47562	0.2
67.05479	0.2
81.07045	0.3
95.08603	0.2
105.06999	1.0
107.08570	0.4
109.10137	0.3
119.08545	0.3
121.10085	0.9
123.11694	0.3
129.08609	0.2
133.10107	1.0
135.08011	0.2
135.11632	0.4
137.09560	0.3
145.10110	0.4
147.07973	0.2
147.11610	0.3
149.13232	0.3
151.52730	0.2
157.10165	0.2
159.08002	0.2
159.11685	0.4
161.13194	0.8
163.11148	2.1
165.09087	0.3
171.11684	0.3
173.09604	1.0
173.13213	0.3
175.11070	0.3
175.14774	1.7
177.12770	0.3
189.12733	2.1
201.12711	0.9
209.13115	0.3
211.14717	0.3
213.12668	0.3
215.14268	0.4
227.14178	0.9
229.15730	0.4
241.15950	0.4
255.17340	0.9
271.20520	0.4
293.18704	0.3
295.20578	3.2
299.20392	0.2
305.18744	0.3
307.20184	0.2
313.21582	3.0
323.19992	1.0
337.17664	100.0
341.21039	1.9
355.18698	0.8
378.20398	1.5
597.39539	1.0
610.53925	0.2
615.40411	7.1
633.42065	2.2
651.35577	4.0
651.42841	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	651.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12793	6.5
55.48730	6.9
66.28391	7.0
88.64717	8.1
93.07016	8.8
105.07040	17.9
107.08553	9.9
121.10173	8.8
123.11670	12.0
133.10083	18.7
135.08025	13.1
145.10110	8.0
147.04401	12.8
147.11699	11.1
149.09624	8.4
149.13264	9.0
161.09576	12.5
163.11105	9.9
239.18013	10.6
291.23505	8.0
310.69360	8.9
403.53476	9.8
446.41629	10.1
512.52466	9.7
591.04773	8.9
615.40491	100.0
621.00031	8.8
633.41193	19.9
651.42651	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	651.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85504	5.7
54.53812	4.5
63.76693	5.3
70.10510	4.7
70.70312	5.6
81.07053	7.3
91.05492	8.0
92.92282	7.1
103.91013	5.6
105.07021	34.1
107.08598	29.7
114.36256	5.8
119.08558	8.2
121.10119	24.9
123.11702	10.2
133.10104	24.0
135.08054	31.4
135.11699	9.7
145.10071	7.2
146.02092	5.9
147.08089	6.9
147.11688	11.7
149.09616	8.9
149.13271	7.7
155.33643	6.1
157.10054	7.2
159.11664	6.0
161.09607	13.6
163.11140	10.7
173.09657	10.3
173.13258	10.6
175.14824	24.2
187.11086	7.6
197.13277	7.8
201.12741	12.8
215.06183	6.8
237.16389	8.4
239.17914	8.8
255.17310	7.0
341.20749	8.7
410.14517	7.5
413.62949	7.0
615.40613	93.7
633.40985	32.4
651.32648	7.3
651.42529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43429	0.5
56.05033	0.9
61.02924	0.9
69.03445	2.1
84.04489	57.3
85.02888	11.3
91.03963	2.4
97.02872	3.9
102.05524	32.5
109.02851	0.8
112.60093	0.8
117.31204	0.7
121.57876	0.7
127.03886	8.9
130.04971	59.3
131.03403	1.0
145.04938	4.6
147.07591	0.9
148.06013	100.0
163.05920	1.1
182.73943	0.8
209.76967	0.8
233.66800	0.8
325.11346	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	653.1704
Annotation	Tricin 7-rhamnosyl-(1->2)-galacturonide
Peak:m/z	Relative Intensity
51.04630	0.3
62.94424	0.4
68.88828	0.4
71.04977	0.8
75.15251	0.4
83.25778	0.4
85.02897	1.8
86.97533	0.4
87.09222	2.0
87.84191	0.4
104.91656	0.4
109.79149	0.4
124.03908	0.6
167.07097	0.5
268.07867	0.5
270.05243	1.8
315.04910	8.3
316.05682	5.5
331.08069	100.0
507.11530	0.9
579.51440	0.5
653.17108	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	653.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
53.10822	1.0
54.52277	0.9
69.03417	5.9
78.03461	2.2
81.03430	14.3
82.95500	1.2
85.02895	8.8
87.25925	1.2
96.04469	1.2
97.02886	5.6
99.04421	5.2
106.02910	42.2
109.02869	20.1
124.03940	100.0
127.03917	7.8
132.04491	2.1
138.58598	1.5
140.90114	1.2
162.05489	77.1
164.03418	27.2
178.04979	3.1
188.03404	72.6
190.92128	1.3
206.04530	3.1
250.07085	7.0
268.08154	39.7
286.09085	1.8
332.07532	2.4
342.30087	1.4
350.08594	2.7
491.13089	2.1
617.16174	18.3
635.17328	14.5
653.17957	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	653.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68317	1.0
56.76458	0.9
63.01749	1.1
69.03417	1.1
74.90089	1.2
80.11810	1.0
81.03409	5.7
85.02863	1.4
89.53713	1.0
105.07029	1.4
106.84307	1.1
109.02852	2.4
109.06411	1.2
111.04402	2.3
114.09142	5.6
133.06442	1.5
137.05957	48.7
146.79863	1.1
149.05846	1.5
151.03879	100.0
151.04846	3.5
161.05963	6.6
164.11565	1.5
169.04942	7.0
175.07469	11.2
187.07500	2.4
199.07445	2.5
202.66966	1.2
219.07957	2.4
231.07997	1.5
247.07431	1.3
251.10651	9.1
259.07654	2.0
263.10648	1.9
279.10138	2.7
291.10129	4.8
295.08118	5.6
311.12860	8.8
313.09085	6.5
323.12735	6.8
335.89407	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	653.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72647	3.4
55.76275	3.2
72.05363	3.6
81.07044	6.6
92.16921	6.8
93.07053	6.7
95.08582	4.3
95.45694	3.9
95.82870	3.7
99.66048	3.9
105.07063	6.2
107.08553	8.5
109.63401	3.5
119.08595	3.7
121.10092	16.5
123.08092	4.4
131.08536	5.0
132.04793	4.3
133.10129	24.8
135.07977	6.1
144.31602	4.3
145.10098	9.4
146.87558	4.2
147.11670	7.5
159.11610	16.2
161.09596	5.5
161.13226	5.4
163.11104	8.7
163.82498	4.0
173.09590	6.5
173.13217	9.9
175.14778	8.6
189.12717	6.5
199.10945	5.0
201.12723	9.9
213.12553	4.9
223.14830	3.8
227.14218	6.4
229.15916	6.3
241.15948	4.8
279.21176	7.4
283.20450	7.5
297.21967	9.1
307.20367	22.5
325.21558	27.9
343.22699	18.0
450.33005	4.5
564.25012	4.5
599.40839	9.4
617.41901	66.2
624.59351	5.4
635.42841	31.9
653.44153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01189	1.8
64.86492	1.9
68.81347	1.9
69.61610	2.1
84.08092	1.9
88.08867	2.3
116.04108	2.2
120.49027	2.4
124.03976	2.2
162.05452	3.7
191.04587	2.8
239.04829	4.0
253.02596	2.8
255.04057	2.9
257.05737	5.5
295.07373	4.8
356.09317	3.0
446.44595	3.1
487.98343	2.7
654.26654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26684	1.9
60.80052	1.5
86.96585	1.7
88.96255	1.6
91.05511	1.8
105.07003	4.2
107.04886	1.9
119.04913	9.8
123.88566	1.9
133.06442	18.1
137.05960	28.9
147.04379	48.7
152.50012	1.7
157.06538	2.4
175.03891	3.3
243.59810	1.8
270.05154	3.7
277.08463	2.2
307.09619	2.2
315.04843	16.0
316.05679	8.2
325.22827	1.9
331.08011	100.0
355.07898	20.5
491.13251	21.1
509.14194	7.0
561.50446	2.3
570.82788	2.2
655.17572	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	655.1864
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03922	0.1
55.01870	0.1
55.05503	0.1
57.03436	1.5
57.16133	0.1
59.12977	0.1
59.34113	0.1
61.02913	0.3
69.03402	0.6
71.04984	8.9
71.22258	0.1
72.99213	0.1
73.02893	0.3
75.04467	0.2
81.03413	0.3
83.04988	0.3
85.02894	12.5
87.04449	0.2
97.02876	1.0
99.04414	0.2
106.02892	0.3
109.02868	0.2
111.04425	0.5
123.29089	0.1
124.03941	0.3
127.03880	0.6
129.05460	1.9
133.02846	0.1
138.86032	0.1
139.03876	1.8
145.04944	0.2
147.04356	0.2
147.06523	0.6
153.01802	2.1
153.05434	3.5
154.06233	0.3
165.01834	1.5
177.05295	0.1
181.04916	0.9
183.02843	0.2
186.46385	0.1
207.06517	0.8
231.06480	0.2
258.05194	0.6
259.05945	0.7
269.04367	0.3
285.04016	0.3
286.04727	2.4
287.05481	6.5
291.08591	2.6
303.04950	0.3
314.04095	1.2
315.04944	3.2
318.07147	0.6
331.04504	1.0
331.08176	0.2
332.05243	3.5
347.07565	100.0
400.20740	0.2
408.34650	0.1
415.60547	0.1
509.12665	1.3
565.49341	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	655.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	5.3
57.07077	76.5
61.02927	12.4
64.57241	7.2
67.05498	10.2
69.07056	8.6
70.66050	6.2
70.77764	6.1
71.08636	56.8
81.07074	22.8
82.76901	6.7
83.08621	25.5
83.40147	6.3
85.10172	39.6
86.78114	6.1
91.03918	7.4
95.08614	46.4
97.02875	6.9
97.10188	10.7
109.10133	15.7
239.23566	11.4
313.27325	100.0
331.28244	57.4
339.19315	7.5
655.39423	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	655.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76410	1.2
54.99599	1.1
60.05886	1.9
70.16950	1.5
97.89450	1.5
102.43430	1.4
105.00385	1.8
149.15329	1.6
339.19217	44.2
655.39453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01100	1.6
55.16579	1.5
57.03416	1.9
57.67962	1.5
58.13123	1.6
60.39581	1.5
67.05495	2.3
69.07059	1.7
70.50962	1.9
72.77230	1.5
81.07076	2.4
82.19787	1.6
82.85212	1.5
92.63174	1.6
145.75241	2.0
206.34250	2.1
246.03410	2.1
371.01163	2.0
411.25351	2.0
411.31113	1.9
498.16254	1.9
655.48938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41016	0.5
54.00063	0.5
56.48170	0.5
61.50678	0.5
67.41248	0.5
69.10183	0.5
71.60947	0.6
76.02193	0.5
85.02911	1.2
94.99447	0.7
99.04419	0.8
108.54833	0.6
110.10514	0.7
124.03992	0.8
124.37938	0.7
127.03913	0.8
134.63458	0.6
137.05943	0.6
153.01863	0.8
231.38467	0.6
270.05209	3.8
315.04977	10.4
316.02475	0.8
316.05573	6.0
329.06418	2.5
331.08026	100.0
359.53152	0.7
450.02954	0.6
496.98444	0.8
497.14304	32.3
509.60043	0.7
531.34210	0.6
544.00104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	1.4
78.96951	0.8
81.03426	0.8
85.02880	1.5
103.05515	0.8
109.02843	1.0
121.02853	0.9
127.03901	1.1
137.05983	1.6
148.92184	0.8
149.05983	2.9
153.01830	9.1
153.02864	1.0
163.42677	0.8
186.46400	0.8
241.04887	4.0
270.05133	3.2
273.07425	1.0
286.04620	0.9
301.07071	1.6
315.04922	11.9
316.05829	5.5
329.06476	31.3
331.08054	100.0
373.09088	1.9
379.24487	0.9
410.78394	0.9
461.12228	0.9
497.14539	5.7
534.89001	1.0
570.57928	0.8
659.19250	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.4
56.89413	2.4
57.03437	21.0
60.16590	2.6
61.02925	76.0
67.05498	39.5
69.03422	35.5
69.07067	6.2
71.01340	3.7
73.02914	30.2
79.05495	23.3
81.03410	24.7
81.07059	50.0
83.04982	4.7
85.02898	100.0
87.04436	3.0
88.29272	3.0
89.79871	2.9
91.03934	50.1
91.05476	14.4
92.16853	3.9
93.07037	31.6
95.08600	42.8
97.02887	78.4
99.04446	15.5
101.02386	3.7
103.03908	3.0
105.07028	11.7
107.08588	20.7
109.02875	13.4
109.10141	15.9
119.08566	14.8
121.10109	14.9
123.05380	2.9
127.03914	31.6
131.08514	13.4
133.10127	12.8
135.11694	13.0
145.04927	12.3
145.10089	7.1
147.11707	5.2
149.13307	6.3
163.06075	3.1
163.14745	3.3
200.90465	3.2
243.20914	3.4
261.22107	12.3
287.32065	3.5
335.25757	55.3
419.27914	4.8
443.27762	4.2
461.28754	5.4
479.30023	21.8
497.30899	6.0
539.69501	3.6
659.36450	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	661.3735
Annotation	(-)-Umbellamine
Peak:m/z	Relative Intensity
62.95620	2.3
64.05885	2.6
71.01341	3.0
91.05495	3.1
107.08562	3.0
109.10159	5.6
112.34527	2.1
119.08570	2.6
121.10117	4.6
147.08064	3.8
149.09627	5.3
159.08147	3.5
161.09538	3.2
161.13249	13.2
165.09029	3.7
173.09637	3.8
185.09639	3.5
187.07443	3.8
187.11234	4.0
189.12662	2.7
201.09033	2.6
224.15590	4.8
225.12680	2.6
238.67618	2.9
241.15862	3.5
277.15643	3.2
415.13776	2.6
541.91315	2.7
557.33087	3.0
597.34796	4.6
643.36224	17.5
660.55695	2.6
661.37146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02844	3.6
55.05500	8.4
57.03424	23.7
57.07066	3.9
60.83265	3.4
61.02629	3.8
61.02925	83.2
62.29394	3.6
64.76400	3.2
67.05493	48.1
69.03412	31.0
69.07055	24.1
71.04969	5.8
73.02907	27.3
79.05481	18.3
80.44742	3.4
81.03418	22.0
81.07047	53.2
83.04987	5.4
83.08607	13.9
85.02892	100.0
87.04453	4.1
91.03944	51.1
91.05475	8.5
93.07041	20.8
95.04987	3.7
95.08582	50.5
97.02883	71.2
97.10191	4.8
99.04447	17.8
101.02363	5.8
103.03926	5.8
105.07002	7.7
107.08582	6.4
107.43208	3.9
109.02863	20.4
109.10177	25.7
119.08606	12.3
121.10124	5.5
123.11691	4.3
127.03901	32.8
129.05495	4.5
133.10120	14.7
135.11707	8.1
142.76782	3.8
145.04958	14.3
147.11632	3.6
149.97906	3.5
161.13226	6.3
169.21370	3.4
183.06464	14.0
184.11113	3.8
201.07617	7.9
212.41847	4.2
263.23630	8.5
305.31488	4.5
337.27350	70.2
379.28375	4.3
400.31299	4.2
428.40240	4.9
445.29309	6.2
452.78412	4.4
463.30557	5.4
474.00818	3.8
481.31650	22.8
499.32474	4.9
505.27301	4.2
661.37787	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	663.3891
Annotation	Yungensin E
Peak:m/z	Relative Intensity
51.93821	2.7
54.25393	2.8
59.75806	2.9
69.07037	4.9
73.78690	3.5
75.49452	3.2
81.07038	6.7
95.08555	4.7
107.08678	4.8
109.10127	7.5
114.54099	4.1
120.45110	3.3
121.10120	5.5
123.08091	5.2
131.08490	3.8
137.09583	3.8
147.11592	6.7
149.09619	5.5
154.89679	3.6
173.13196	6.1
185.09590	6.9
203.10480	3.9
239.14374	4.4
247.70859	3.7
254.16667	6.9
290.36334	3.8
337.27002	5.3
545.88397	3.4
609.35150	4.4
627.36676	14.9
645.37537	47.5
663.38733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.389
Annotation	Yungensin E
Peak:m/z	Relative Intensity
52.39067	1.2
52.40067	1.3
83.04988	2.5
83.08636	1.6
93.07053	2.1
95.08603	2.3
105.07037	1.9
107.08579	2.2
109.06609	1.5
109.10133	3.1
119.08527	3.2
121.06501	3.7
121.10157	3.3
131.08574	2.4
133.10173	2.2
135.08051	1.9
143.08548	2.6
147.08090	3.1
147.11629	2.2
149.09656	6.0
159.07997	2.1
161.09612	2.9
161.13251	9.6
163.11136	1.5
171.07991	2.2
173.13216	1.8
175.11195	3.3
185.09587	2.3
187.07602	2.0
187.11122	2.3
189.09151	3.4
197.13405	2.0
199.11266	2.0
203.10703	2.1
224.15581	2.1
227.10561	1.7
241.15816	3.1
287.91568	1.8
296.71179	1.8
301.84204	1.4
327.60764	1.5
463.29276	1.6
581.35706	2.1
599.37000	2.9
617.38385	2.1
627.36609	6.3
645.37671	13.2
663.38812	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	663.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	6.2
56.45174	1.3
57.03430	5.9
57.07027	1.3
58.27064	1.1
58.72554	1.0
64.47783	1.1
67.05492	20.7
69.07047	11.2
73.75961	1.2
79.05470	6.9
79.33629	1.4
81.07042	19.4
81.53142	1.2
83.08622	6.1
91.05454	2.6
93.07013	11.0
95.08591	18.4
97.10130	1.9
98.98444	18.2
105.07024	6.1
107.08574	7.6
109.10130	12.8
109.38357	1.5
119.08566	5.7
121.06468	2.0
121.10109	8.9
123.08035	2.3
123.11678	5.1
133.10107	6.6
135.08064	1.8
135.11682	6.0
137.09624	1.7
145.10068	1.9
147.08051	2.1
147.11685	5.5
149.09622	7.5
149.13258	1.7
151.07484	1.4
155.01010	31.3
157.10236	1.7
159.08038	2.7
159.11670	2.4
161.09557	3.0
161.13258	12.4
161.21298	1.3
163.11154	5.2
165.09061	2.8
170.64992	1.4
171.11725	2.1
173.02005	1.8
173.09628	3.0
173.13263	1.9
175.07526	1.5
175.11134	3.0
176.48225	1.5
185.13239	1.9
187.11131	5.0
189.12743	5.1
189.16592	1.3
201.12743	1.4
205.12247	2.9
216.96606	1.6
241.15868	1.7
243.17145	1.4
247.05794	2.6
253.16010	1.7
337.27298	64.7
337.31232	2.9
473.26804	2.6
627.36725	2.7
645.37665	8.9
663.38770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
55.05501	21.4
57.03428	32.5
57.07065	8.0
61.02922	73.4
61.57101	4.0
67.05492	26.0
68.75875	4.0
68.77510	4.0
69.03422	27.6
69.07059	33.1
71.05007	5.2
71.08627	4.1
73.02921	29.2
79.05505	14.8
80.92123	3.2
81.03407	22.3
81.07064	36.4
83.08607	22.5
85.02892	100.0
87.04475	6.4
91.03953	53.0
93.07034	16.7
95.08610	31.8
95.62791	3.6
97.02894	64.9
97.06464	4.0
97.10176	25.5
99.04429	6.4
101.02381	16.3
103.03939	7.8
107.08633	7.5
109.02885	9.6
109.10143	18.1
111.08055	4.9
111.11742	6.4
115.03975	6.4
121.10126	28.8
127.03916	36.2
134.01297	3.6
135.11690	17.7
145.04950	6.2
149.13245	6.8
183.06557	7.6
201.07704	6.1
250.83182	4.5
265.25244	6.4
283.26279	4.3
339.28867	84.1
423.30612	5.1
447.31122	7.6
465.32187	8.3
483.33496	32.0
600.74219	4.6
663.39093	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	665.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	0.5
59.28109	0.4
62.80879	0.5
67.05489	0.9
69.07056	1.0
79.05476	1.3
81.07040	2.3
83.04979	0.9
83.08591	0.9
86.18914	0.6
86.36469	0.5
93.07014	2.3
95.08595	1.2
97.06505	1.1
98.98465	0.9
105.07025	3.5
106.72548	0.6
107.08568	3.5
109.10157	4.8
118.61881	0.7
119.04916	0.8
119.08557	2.9
121.10088	4.7
123.11742	0.7
124.63168	0.5
131.08557	1.0
133.10132	3.6
135.08055	1.3
135.11638	3.9
137.09641	2.1
141.73442	0.5
145.10120	1.3
147.08046	2.2
147.11652	2.6
149.09601	2.2
155.00986	1.8
159.08025	0.7
159.11635	4.2
161.09599	3.4
161.13237	8.9
163.11150	10.7
165.09106	3.4
171.08087	0.6
171.11652	1.4
173.09583	7.3
175.11124	3.9
177.12758	3.1
183.11713	0.8
187.11169	3.2
189.12704	17.7
199.11296	1.1
199.14894	1.0
201.12726	2.5
203.14326	0.9
209.13228	1.3
211.14822	0.8
213.12776	2.0
215.14314	3.0
227.14340	4.7
229.15942	2.3
235.14890	0.6
237.16266	0.7
241.15836	2.3
253.15903	1.0
255.17465	4.7
267.17328	0.6
269.19162	0.7
271.16977	0.9
271.20609	3.9
277.19562	1.2
281.19095	1.2
295.20508	17.6
295.23581	0.8
305.18976	1.3
313.21573	18.4
323.20001	6.8
339.29013	3.7
341.21085	11.2
467.88007	0.6
529.33649	0.7
555.38086	0.8
565.36920	0.8
583.37762	6.0
593.36633	1.0
601.38824	3.0
611.37085	1.3
629.38312	7.1
647.39514	6.8
648.39392	3.0
665.40363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03740	1.1
63.50886	1.2
65.84181	1.2
67.40029	1.0
68.39822	1.1
70.46818	1.4
79.01489	1.1
81.07056	2.1
83.04971	2.7
83.08669	1.5
84.42315	1.1
93.07049	1.6
95.04964	1.2
95.08623	2.6
102.33186	1.4
105.07076	6.7
106.97815	1.2
107.08597	2.6
109.10135	2.1
119.08591	4.8
121.06476	2.1
121.10152	7.0
131.08585	1.6
133.10150	6.7
135.08072	6.6
135.11734	1.7
144.03845	1.3
145.10155	1.9
147.08098	2.5
147.11729	2.4
149.09644	6.4
157.10216	1.7
159.11685	5.6
161.13327	6.0
163.11194	5.5
165.09134	2.3
169.33821	1.2
171.11708	3.0
173.09665	5.6
173.13280	2.2
175.11252	3.0
185.09698	1.4
187.11243	1.7
189.12749	2.8
205.12277	2.3
211.14822	1.4
217.15862	1.4
218.59526	1.6
225.16528	1.6
227.14235	1.7
241.15826	3.1
242.21355	1.5
263.14209	1.4
271.17020	2.0
272.29187	1.4
323.20331	1.6
416.73132	1.5
629.10504	1.7
629.38458	5.6
639.39093	1.5
647.39264	9.4
665.40479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4055
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
58.58583	1.1
59.14379	1.3
69.07053	2.5
69.68842	1.1
79.05466	2.4
79.91917	1.2
81.07064	2.9
83.04972	1.8
83.08607	6.4
83.59886	1.5
90.12028	1.2
91.05489	1.2
93.07022	2.7
95.08588	5.6
98.98473	1.6
105.07014	2.7
107.08584	6.3
109.10170	5.2
119.08581	5.5
121.06519	3.3
121.10115	8.8
123.07967	1.4
131.08566	1.6
133.10123	6.7
135.08092	6.6
135.11676	5.4
137.09572	2.7
143.08533	1.8
145.10095	2.0
147.08078	2.1
147.11644	2.5
149.09610	6.1
155.01071	1.9
157.10069	3.3
159.07953	2.1
159.11707	5.8
161.09697	1.8
161.13257	7.7
161.43373	1.5
162.15279	1.8
163.11189	6.2
165.09174	1.4
171.08086	1.5
173.09525	2.4
173.13295	5.6
175.11133	2.5
175.14897	1.9
187.11217	1.8
189.12718	7.3
199.11179	3.1
201.09132	1.4
215.14342	1.9
225.09221	1.6
225.16365	1.4
227.14252	2.1
236.15517	2.1
237.16394	1.7
251.14456	1.6
253.15891	5.1
254.16612	1.7
255.17509	2.5
265.51059	1.3
271.17148	1.5
279.17593	2.1
285.18445	5.0
295.20697	5.1
303.17374	1.9
305.19156	1.7
311.20059	1.7
313.21729	2.4
331.19101	6.3
337.27420	1.8
339.28934	9.5
339.42862	1.5
341.21109	2.1
415.18857	1.6
583.37854	2.3
593.36389	1.7
611.37543	6.9
629.38275	14.2
647.39294	22.6
665.40295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4046
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
53.12906	0.9
59.09787	0.7
66.02827	1.0
67.05511	1.5
69.07054	1.5
71.01365	0.8
81.07050	2.2
83.04970	2.4
86.89665	1.1
91.05495	1.3
92.17361	1.4
93.07026	1.8
95.04987	1.0
95.08582	4.1
105.07037	6.4
107.08597	6.5
109.10153	5.5
119.08546	4.8
120.44495	1.0
121.06497	4.7
121.10117	8.2
123.11713	5.0
131.08611	1.3
133.10156	7.9
135.08069	5.9
135.11716	4.0
137.09628	1.5
143.08554	1.5
145.10124	5.0
147.08063	5.1
147.11697	5.5
149.09618	5.7
149.13223	1.3
150.76689	1.1
151.11249	1.6
159.08078	1.7
159.11711	2.2
161.09616	3.8
161.13249	7.1
163.11188	4.5
165.09126	1.9
171.08020	2.5
171.11685	4.2
173.09650	5.2
173.13255	4.2
175.11189	4.8
175.14807	1.7
177.02565	1.0
177.12708	1.3
183.11758	1.4
185.09546	1.2
187.07573	1.3
187.11156	5.0
189.12761	2.3
199.11253	1.9
199.14812	2.4
201.12694	1.9
203.10631	1.2
205.12274	4.3
207.11717	1.5
209.13286	1.3
211.14871	1.1
213.12852	1.7
215.14345	1.6
223.14929	1.9
238.17096	1.7
239.14354	1.1
243.17511	4.3
253.16080	2.1
271.16895	1.6
289.18140	1.6
305.19019	1.8
323.20236	2.1
341.20966	1.1
440.26984	1.2
483.73465	1.1
503.32355	1.3
593.36310	1.4
601.38171	1.2
611.37720	1.5
629.38177	18.8
647.39160	11.8
665.40430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4025
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
51.73517	2.0
53.12740	2.0
55.92003	1.9
66.84437	2.0
69.07640	2.2
79.05460	2.6
80.70687	1.9
82.50122	2.3
83.04990	2.7
93.06987	4.5
95.08568	3.6
105.07015	9.4
109.10110	3.4
115.77479	2.4
117.38055	2.2
119.08501	2.9
121.10123	9.8
131.08511	3.1
133.10081	9.9
135.08046	4.8
145.10127	4.3
147.11630	9.1
149.09583	13.3
161.09590	4.5
161.13216	4.5
163.11148	5.7
169.10060	3.3
171.08076	2.9
173.09578	3.9
173.13229	9.4
175.11066	3.2
177.12741	3.4
185.09566	2.5
187.11136	3.5
189.12891	2.5
205.12138	2.7
285.18564	3.1
299.19977	2.8
331.18994	4.0
409.11694	2.8
463.30331	3.2
545.17474	3.3
629.37476	14.4
647.39227	30.7
665.40308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43726	0.5
53.03940	1.1
55.05503	1.0
57.07070	21.3
67.05492	5.0
69.03411	0.9
69.07066	0.7
70.85372	0.6
71.08614	14.2
81.03412	12.7
81.07034	10.1
83.08617	1.1
85.10168	9.5
88.58759	0.6
90.83878	0.7
92.16856	0.7
95.08598	8.5
97.02883	10.1
107.08585	0.8
109.02856	100.0
109.10159	2.8
127.03881	41.2
127.11166	4.2
137.13223	1.4
139.03862	5.3
141.12755	2.1
155.14267	10.8
167.84187	0.7
169.04913	19.3
210.31747	0.6
211.05934	1.1
296.57501	0.7
323.18146	2.2
383.20505	1.5
467.30045	1.1
527.32074	18.2
666.47076	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	666.4337
Annotation	PAz-PC
Peak:m/z	Relative Intensity
55.58372	0.9
57.29345	0.8
60.08149	5.1
63.02064	0.9
75.82829	0.9
81.83266	0.9
86.09689	23.7
87.71481	0.9
91.05468	0.9
92.16744	0.9
104.10760	1.2
124.99976	10.9
140.88716	0.9
172.90639	0.9
184.07306	100.0
214.61342	0.9
224.86667	0.9
333.97104	0.9
595.97675	1.3
666.43317	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	667.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50461	1.1
60.07603	1.3
66.05369	1.4
69.03394	2.6
73.02876	2.4
81.03396	2.8
85.02892	3.3
97.02854	2.4
99.04383	2.5
109.02872	12.6
109.53572	1.4
109.98245	1.2
120.04420	5.5
121.02910	1.9
124.03951	1.4
127.03886	6.8
132.04401	2.7
134.05962	2.6
136.46399	1.6
138.05469	1.9
145.05069	1.4
146.02335	15.3
160.03888	1.5
162.05464	100.0
164.03369	29.8
178.04944	6.1
180.06540	1.8
182.91724	1.5
186.05406	2.8
188.03371	90.3
191.03827	1.4
206.04428	11.0
210.05510	5.9
228.06454	15.9
247.95206	1.4
252.16055	1.4
314.06558	1.7
332.07632	19.5
335.77197	1.5
350.08759	10.2
438.19437	1.8
451.11063	5.7
469.12125	5.6
649.18256	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	667.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61521	4.7
79.30652	5.1
109.10116	5.1
119.08585	8.3
121.10131	7.3
130.29076	5.6
133.10132	5.4
149.09630	9.7
173.13152	7.6
187.11169	8.6
567.99396	5.9
631.39752	7.8
649.40637	10.7
667.33203	6.4
667.42053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82713	1.0
63.25463	1.1
69.89786	1.1
81.07040	2.2
105.07055	1.6
107.08581	2.0
109.10127	2.3
115.71373	1.1
116.96063	1.1
119.08540	2.2
121.10112	5.3
123.07999	1.5
131.08585	1.5
133.10103	3.0
135.08005	1.9
135.11658	2.0
137.09618	1.8
143.27577	1.3
147.11685	4.7
159.11667	1.7
161.09572	2.2
161.13208	2.8
163.11076	13.0
171.08095	1.4
171.11644	1.7
173.09624	7.4
173.13219	5.9
175.11168	1.5
177.12784	1.9
181.03186	1.2
184.11305	1.3
189.12668	16.8
191.14334	1.6
199.11148	2.1
199.14900	1.9
201.12794	2.0
213.12830	1.8
215.14308	2.9
225.12700	2.5
227.14328	6.7
239.14085	2.6
241.15910	2.2
253.15865	1.5
254.16600	1.9
255.17426	8.0
271.20587	1.8
277.19464	2.1
281.19080	1.4
295.20496	18.7
313.21432	16.6
323.20041	6.3
325.21536	1.7
341.21075	10.3
388.93552	1.4
504.11679	1.4
595.38062	2.2
596.96899	1.4
613.38660	4.9
631.39600	2.8
649.40826	8.1
667.41888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82048	3.0
78.13624	3.9
79.55127	3.5
93.93437	3.4
105.07034	6.0
119.08532	7.1
121.10089	5.1
131.08521	4.6
133.10127	5.5
135.07990	6.9
136.27298	3.2
142.85385	3.3
149.09592	5.4
159.11621	4.4
163.11142	5.5
163.14734	4.0
173.09576	4.5
173.13292	7.8
185.13234	4.6
255.17389	4.8
256.17093	4.0
283.27637	3.4
513.65027	3.6
613.38940	4.6
631.39288	8.2
649.40259	15.4
667.41876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04216	5.8
60.72824	5.2
67.92623	6.9
75.31391	5.9
76.42062	5.7
78.40462	5.8
79.05521	6.4
81.91850	6.5
93.07069	9.1
95.08606	6.7
105.07020	7.8
109.10130	6.3
119.08536	6.7
121.10123	11.4
124.82336	6.7
125.09776	5.2
128.07498	6.3
129.92398	5.4
133.00972	6.4
133.10048	6.1
137.05974	7.3
145.10059	7.2
145.78482	7.2
147.04367	34.7
161.13193	11.5
311.19983	7.8
327.50272	7.9
625.93866	7.0
631.39587	36.6
649.39539	9.9
667.41907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75135	1.4
54.72855	1.7
67.16563	1.7
68.92849	1.6
69.72802	1.9
93.07028	2.7
95.08617	1.9
107.08604	1.8
121.10120	2.9
124.74769	2.0
131.08629	1.8
132.44388	1.9
133.10068	2.9
135.11710	2.7
147.11731	3.1
149.09608	2.7
159.11589	2.1
161.13321	7.9
163.11166	7.5
171.11571	2.2
173.09595	2.9
173.13181	7.0
189.12729	3.4
211.14812	2.3
215.14297	1.8
229.15836	2.5
241.15909	2.8
279.21066	2.6
283.20682	3.7
295.20853	2.0
297.22144	7.0
307.20395	9.0
325.21417	16.5
337.69495	2.1
343.22626	3.8
519.99774	2.2
567.38922	6.1
577.36951	2.6
585.39038	2.1
595.38159	2.7
631.40588	2.6
649.41058	7.0
667.41913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	5.8
57.07309	0.7
67.05497	0.9
69.03419	3.0
71.08620	3.1
81.03410	2.5
81.07059	2.4
85.10177	1.9
87.04443	3.4
95.08589	2.6
97.02866	0.6
99.05084	0.6
109.02915	3.5
115.03938	0.9
127.03902	1.2
127.11152	0.9
133.04933	0.7
141.14484	0.5
155.14342	0.8
210.11143	0.5
253.06769	0.8
256.04340	0.5
264.75531	0.6
313.08826	1.9
508.85953	0.6
519.80780	0.6
527.24469	0.9
553.93048	0.6
611.33441	0.9
671.36035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.3
57.03429	8.3
57.07076	44.7
58.86277	1.2
61.02924	8.7
67.05499	10.0
69.03428	10.3
69.07053	12.7
71.08254	1.8
71.08623	44.2
73.02913	2.6
75.04458	4.8
81.03400	5.8
81.07056	25.1
83.08617	20.7
85.02900	33.7
85.10165	30.3
91.03940	20.4
93.05523	14.5
95.08595	38.6
97.02877	18.9
97.10149	9.9
99.04455	5.1
99.11723	1.8
109.02835	7.9
109.10146	21.3
111.11674	1.6
123.11688	9.5
127.03903	21.2
129.08408	1.2
137.13223	5.8
140.98363	1.3
145.04987	12.9
145.12914	1.2
151.14989	1.1
163.06009	7.0
165.16370	1.4
204.50426	1.3
239.23605	12.8
255.10651	8.8
259.17441	1.2
287.17496	1.3
341.26810	1.2
383.27988	11.0
396.59921	1.2
401.28897	100.0
475.32819	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	673.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90036	0.8
50.94574	0.7
54.40518	0.9
72.53954	0.8
81.49502	1.1
85.35973	0.9
91.05450	5.9
119.04922	16.8
137.05969	1.1
147.04379	72.1
153.01794	5.9
179.07034	4.6
241.04941	3.9
269.04642	1.1
270.05151	8.7
303.89035	1.0
314.08020	1.8
315.04880	25.4
315.08002	1.0
316.05783	8.4
329.06439	15.1
331.08032	100.0
459.10580	9.1
491.13303	14.9
673.18744	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	674.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	35.3
58.74048	20.8
60.30211	18.4
66.40098	20.0
67.05481	49.6
69.07037	36.6
71.08585	36.3
73.25942	23.4
81.07024	30.4
85.10153	36.9
95.08553	28.6
109.10134	93.2
115.95399	23.1
119.08493	22.8
229.14273	38.0
261.11090	22.6
282.27521	23.5
313.27298	100.0
621.47168	40.8
663.45190	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	675.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25378	0.3
92.01501	0.3
99.65069	0.3
100.29086	0.3
101.68312	0.3
121.06467	0.5
133.02766	0.4
137.05885	1.9
149.05931	2.1
153.01831	3.2
153.05345	0.6
168.09981	0.4
177.05365	1.7
179.06967	0.6
202.72786	0.4
216.00186	0.3
235.07471	0.4
239.06882	0.4
241.04880	2.2
270.05164	5.9
272.10339	0.4
273.07712	0.4
286.04572	1.5
287.05475	2.0
298.04678	0.5
298.12079	0.5
300.13589	0.5
301.03433	1.3
301.06915	0.8
302.04068	0.6
315.04907	20.3
316.02164	0.4
316.05719	10.5
327.12088	0.8
328.12973	7.4
329.06421	4.4
330.07483	0.5
331.08041	100.0
352.29724	0.4
373.09195	2.8
412.62695	0.4
477.12152	0.5
675.20563	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66861	0.7
69.03426	1.1
81.03399	3.5
85.02910	1.0
86.54697	0.8
102.57963	0.9
106.02920	0.9
109.02900	2.1
117.03347	5.0
137.06036	1.1
145.02837	44.5
149.05946	4.0
151.03867	1.6
161.06007	1.3
175.47086	1.0
177.05440	100.0
205.05002	1.9
232.28972	1.0
247.05986	1.6
296.90515	0.9
311.09064	5.3
321.09747	1.4
325.26312	1.0
338.23630	1.2
339.10663	5.1
351.46890	0.9
391.10318	1.0
473.94717	0.9
491.44736	0.9
677.20929	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	677.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95339	7.0
56.72096	6.8
57.90494	6.8
67.05494	68.9
69.19118	7.8
70.66025	9.8
79.05495	15.8
81.07040	96.6
85.02888	29.0
91.03932	32.9
91.05462	10.3
93.07010	45.3
94.46351	8.3
95.08573	92.7
105.07005	12.0
107.08589	46.3
109.10135	47.2
119.08534	14.5
121.10126	53.1
123.11660	18.2
131.08533	18.7
133.10094	32.7
135.11690	39.5
141.04311	8.8
145.10115	32.7
147.11743	9.6
149.13223	35.3
161.13260	11.3
173.13136	9.8
243.21072	18.9
255.16229	8.5
261.22061	65.6
313.44495	8.6
335.25797	19.5
353.26749	100.0
497.30637	11.1
535.38538	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	679.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44620	0.7
54.70383	0.7
55.39173	0.8
63.03495	0.7
91.05467	8.2
107.08535	0.9
117.46542	0.9
119.04919	19.3
121.68041	0.9
147.04388	100.0
149.19525	0.8
183.83122	1.1
203.08553	1.1
219.08026	1.6
220.08742	1.2
231.07962	4.8
232.08838	1.0
233.06047	1.3
233.09470	1.5
245.09505	1.2
247.07510	1.9
248.08255	10.0
249.09193	1.4
258.06723	1.7
259.07529	5.8
260.08395	3.4
261.09094	5.2
262.10007	1.6
263.07037	1.0
263.10684	5.1
265.08582	3.6
272.08163	0.9
273.49609	0.9
275.07013	3.2
276.07755	30.2
277.08517	7.1
278.09564	0.9
279.10138	1.0
289.08441	3.0
290.09488	7.8
291.10086	25.0
293.08099	7.4
296.96854	1.0
304.07254	4.7
307.09750	1.3
308.10370	4.0
318.08807	7.0
319.09631	16.6
321.07434	3.1
323.12704	1.3
336.09924	5.4
351.12198	47.5
369.13281	3.8
515.17053	19.9
661.37238	1.5
679.38171	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	679.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39286	1.8
63.64681	1.9
69.03405	3.3
75.82937	1.8
85.02888	3.6
86.09708	43.4
94.22613	1.9
99.04463	2.4
109.02906	8.0
127.03926	8.7
132.10196	15.6
162.05493	100.0
164.03438	8.6
174.66965	2.0
188.03416	49.1
206.04515	15.2
206.06316	2.1
214.78900	1.9
224.05524	8.6
332.07733	3.4
350.08701	11.9
368.09799	40.4
386.10812	4.6
439.15622	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	679.3835
Annotation	Myrtucommulone G
Peak:m/z	Relative Intensity
52.60920	4.3
57.45289	3.8
79.20019	4.9
121.10094	7.7
145.06641	5.1
147.04401	9.4
161.13313	5.5
177.51674	4.9
190.83675	5.4
300.25922	4.7
309.18198	5.8
515.16626	5.5
652.08221	5.9
661.36664	9.4
679.38507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.51
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41027	0.4
53.33104	0.4
59.80906	0.4
60.64790	0.5
67.67780	0.4
69.07043	1.1
79.05437	0.4
92.16761	0.5
96.08104	15.7
98.64735	0.5
110.18944	0.6
113.10735	8.8
114.09138	71.4
115.07564	0.8
132.10228	1.9
197.64241	0.5
201.69800	0.6
208.18105	2.7
208.72348	0.5
209.16432	38.6
210.14844	2.2
226.19052	13.6
227.17418	7.8
228.15887	20.9
245.18575	2.5
262.72336	0.5
321.26535	3.1
322.24814	21.3
322.28305	1.0
323.22989	0.8
339.27420	9.2
340.25961	2.5
341.24292	9.1
358.26605	0.7
434.34863	1.2
435.33154	8.6
452.35934	4.8
453.34384	2.1
454.32532	0.6
469.42279	0.6
547.43311	1.0
548.41150	3.8
565.44177	0.8
566.42780	2.1
661.50079	3.1
679.51044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	16.2
67.05499	2.7
71.08615	15.0
81.03407	16.0
81.07031	5.4
84.58667	2.2
85.10145	5.2
92.17329	3.1
95.08589	13.7
97.02852	10.1
104.09964	2.8
109.02866	100.0
110.53270	2.6
114.08459	2.5
127.03893	38.5
139.03879	3.6
150.47316	2.6
155.14288	4.0
157.98494	2.8
169.04921	16.5
169.15816	3.1
221.66827	2.8
290.34637	2.8
386.83206	2.8
536.95728	3.3
541.33441	12.2
644.14337	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	680.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.4
57.03429	10.1
57.07075	20.2
61.02892	1.6
67.05501	15.6
68.83482	1.4
69.03409	3.6
69.07043	5.6
71.08621	17.8
79.05482	2.4
81.07051	16.0
83.05016	1.3
83.08612	21.0
85.10186	10.9
93.07042	1.9
95.08588	15.1
97.02907	1.5
97.09537	1.8
97.10153	47.4
97.82426	1.5
100.99011	1.5
107.08557	11.4
109.10143	8.4
111.08044	1.7
113.84222	1.4
115.77270	1.6
123.11635	2.0
125.09605	75.1
135.08017	6.6
137.05968	2.5
143.10667	2.9
153.09119	8.1
153.12639	1.6
171.10168	9.7
184.07312	2.1
189.11188	50.3
195.55911	1.5
211.91145	1.5
211.95116	1.8
227.12730	100.0
245.13786	76.0
257.24857	2.2
281.80338	1.7
307.24484	1.7
313.27307	54.6
322.07104	1.6
333.78171	1.6
483.36777	47.0
499.99554	2.0
501.37198	2.5
680.46887	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	681.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98468	7.4
55.05481	17.4
61.02917	37.5
67.05499	22.5
69.07054	41.9
71.08597	9.6
75.77615	7.9
76.99868	8.7
80.83325	8.6
81.07049	62.4
83.08586	58.1
85.02871	35.8
91.03926	46.3
93.07001	18.5
95.08598	80.8
97.10133	44.2
100.18996	7.6
107.08525	13.9
109.10133	42.8
111.08041	15.1
112.87446	9.5
121.10121	68.7
123.11697	16.7
135.11667	51.5
145.04877	14.2
149.13261	13.7
163.05902	11.7
177.16322	8.8
247.24147	36.5
265.25226	52.4
339.28763	69.5
357.29901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11435	0.1
62.07071	0.2
67.72427	0.2
75.34828	0.2
88.59920	0.2
94.46977	0.2
99.89417	0.2
108.37051	0.2
136.06174	100.0
152.95927	0.2
174.78787	0.2
228.44859	0.2
268.10376	24.9
356.90500	0.2
464.16251	0.2
527.82532	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	683.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07963	0.7
64.90270	0.8
69.03401	1.7
74.56201	0.8
81.03412	3.6
85.02879	6.3
96.08110	1.0
97.02895	3.4
103.92322	0.9
106.06522	14.7
108.08144	1.0
109.02850	8.0
111.26732	0.9
124.07571	12.6
127.03899	1.6
134.05991	12.9
136.07558	3.8
152.05928	1.1
152.07033	54.2
162.05464	100.0
170.08095	25.2
188.03484	1.3
190.04964	12.1
201.52487	1.0
208.06041	3.7
262.07089	1.0
264.26721	0.8
295.10764	5.4
521.17877	1.1
665.21637	1.1
683.22839	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	685.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54890	2.8
53.04177	3.3
54.05221	3.2
57.07039	5.1
58.55638	3.2
67.45121	3.2
70.91696	3.2
71.08600	3.6
102.31290	3.8
120.68208	3.3
179.06966	3.6
391.92859	4.1
398.63577	4.0
552.44946	3.7
635.53802	5.2
685.37183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.5
65.80811	2.1
66.08064	1.9
70.17222	2.1
71.08600	2.4
77.49955	1.8
78.79613	2.1
85.02887	3.5
91.03967	4.6
93.07069	2.4
105.07814	2.1
121.13233	2.2
121.19252	2.2
125.09654	3.1
139.26952	2.1
161.94801	2.2
189.11140	2.9
240.32321	2.4
312.11865	2.4
348.08527	2.4
429.17249	11.2
461.28116	2.4
478.66013	2.3
497.30872	4.3
539.10541	2.2
685.41064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2068
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
53.37039	0.1
54.94788	0.2
57.77654	0.1
61.36459	0.1
64.36360	0.2
82.55340	0.2
89.05760	0.2
96.08070	0.3
113.10694	0.2
114.09142	2.0
156.49466	0.2
157.25142	0.2
177.05417	0.4
209.16420	0.3
227.17720	0.2
228.15811	0.4
232.69385	0.2
270.05237	2.6
286.04572	0.2
287.05478	0.4
292.01129	0.2
315.01996	0.2
315.04935	9.2
316.05740	5.9
331.08078	100.0
368.91724	0.2
493.13647	0.3
527.15442	19.7
689.02667	1.9
689.20673	10.1
689.29956	0.3
689.50775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2071
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
55.45419	0.2
57.03416	0.2
61.02865	0.2
69.03412	0.3
85.02892	1.5
99.87788	0.2
100.47752	0.2
114.09090	0.2
115.04698	0.2
119.04903	0.4
132.29054	0.3
147.54773	0.2
153.01779	1.3
172.19113	0.2
178.02676	0.2
179.06978	0.3
241.04950	1.0
270.05148	4.0
286.04529	0.3
287.05423	0.4
302.04028	0.4
315.04886	12.2
315.08536	0.5
316.05734	6.1
329.06528	1.8
331.08066	100.0
527.15430	29.5
527.23865	0.4
624.48389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2071
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
57.03428	0.2
67.39038	0.2
69.03407	1.0
73.02889	0.3
81.03382	0.2
85.02895	1.4
89.49742	0.2
91.05490	0.3
97.02891	0.9
109.02907	0.2
119.04932	2.2
121.06553	0.2
124.05170	0.2
125.05957	0.2
127.03893	0.2
137.05971	1.5
142.19646	0.2
145.02757	0.2
147.04419	2.4
149.05933	0.3
151.03899	1.1
151.07510	0.8
153.01811	7.5
161.05922	0.4
161.17517	0.2
162.06763	0.6
163.07471	0.3
177.05423	1.0
179.07018	4.1
180.07829	0.2
213.05502	0.4
241.04921	4.7
269.04425	1.2
270.05215	3.7
273.07599	1.4
284.06702	0.3
286.04681	2.3
287.05417	0.9
298.04855	0.3
299.05356	0.3
301.03418	0.7
301.07028	2.7
302.04306	0.2
311.05399	0.4
314.04141	0.4
315.04932	12.5
316.05728	7.5
329.06500	27.6
331.08072	100.0
371.55429	0.2
373.08963	0.6
459.10361	0.4
479.13107	0.7
491.13293	1.8
509.14056	1.3
527.15436	1.2
689.20630	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	690.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50931	1.9
61.68237	2.2
72.26569	2.1
72.29031	2.4
76.42323	2.3
79.18878	2.1
83.42895	2.7
86.06060	10.1
122.07123	10.0
132.09320	2.4
157.09666	13.0
170.44901	2.4
178.13351	100.0
185.09174	3.2
187.22438	2.2
201.08929	2.7
246.16032	13.8
298.47372	2.7
326.40256	2.9
344.66217	2.9
436.98950	2.5
480.59210	2.6
555.81976	3.1
690.31946	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	694.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27679	20.6
56.54950	20.0
58.93745	21.1
62.12186	25.4
81.07064	25.7
91.03968	32.7
93.07005	50.8
95.08571	46.6
135.11673	43.2
147.79147	25.2
186.89066	28.9
261.22131	49.3
273.36719	31.0
353.26868	100.0
451.17191	26.4
508.27451	34.9
542.27112	28.9
694.13287	54.1
712.79553	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	694.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	15.3
57.19422	2.2
60.20266	2.0
66.99297	2.1
67.04054	2.5
67.05503	2.3
71.08604	17.4
77.45786	2.3
81.03405	16.1
81.07034	10.1
85.10161	4.9
91.94817	2.3
95.08578	16.1
97.02861	4.6
98.44058	2.4
109.02853	100.0
127.03875	43.7
155.14267	15.2
169.04927	13.8
234.62292	2.8
255.13017	3.1
497.19223	3.0
555.34937	13.2
686.78766	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	695.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36337	0.3
52.43093	0.4
57.64881	0.4
69.03404	0.5
81.03397	2.5
85.02885	0.8
89.03915	0.7
109.02865	1.7
117.03351	3.9
127.03862	0.6
131.04863	0.4
145.02821	38.7
149.05933	2.1
151.03853	0.6
177.05432	100.0
195.06429	0.5
311.09195	0.7
321.09625	2.5
339.10663	6.0
458.01880	0.5
510.21323	0.5
624.20148	0.4
677.20471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.247
Annotation	Unknow
Peak:m/z	Relative Intensity
72.74325	2.3
84.85925	2.0
91.05482	5.1
94.62451	2.3
101.53320	2.1
103.05454	2.8
105.07037	3.6
107.04933	2.7
109.06541	3.0
119.04913	25.5
131.04927	3.8
147.04379	41.3
151.03920	2.7
151.07469	4.1
167.06993	9.3
186.06772	4.5
191.06993	5.2
199.07520	3.7
199.23361	2.4
201.65387	2.6
218.07265	3.5
231.07924	4.2
243.08411	2.5
246.06767	2.5
247.07304	2.6
248.08212	9.2
249.09116	5.4
259.07407	11.5
261.09033	4.9
263.10220	2.8
266.09442	2.9
273.09018	23.2
275.07040	3.0
276.07831	16.9
277.08575	11.0
279.10049	2.3
289.08530	17.6
290.09293	20.2
291.10052	20.4
293.11630	2.7
299.27527	2.3
301.08554	9.6
304.07312	19.8
305.07980	5.7
306.08652	3.5
308.10233	3.1
309.11179	10.9
319.09573	63.1
320.10336	15.0
321.11102	27.1
323.12720	3.7
337.10657	9.2
340.12891	12.5
351.12225	100.0
352.12857	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	695.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97289	3.1
61.12185	3.3
67.37048	4.1
69.03410	4.3
69.36181	3.0
72.04495	6.9
82.49639	3.4
88.66331	3.6
90.05496	4.2
97.02840	5.1
106.06536	15.5
109.02818	15.8
116.03419	6.8
121.51102	4.4
124.07561	28.0
134.05966	27.7
136.07556	7.4
142.08583	7.7
145.04945	5.3
146.05960	6.9
146.24969	4.2
152.07014	78.8
170.08055	39.5
184.09711	16.1
188.06982	43.7
202.10716	20.4
205.09673	4.7
360.74710	3.9
565.22253	6.4
565.66479	4.7
695.28760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65022	0.6
54.60782	0.6
56.03152	0.6
63.66024	0.7
69.07050	3.6
71.21770	0.7
76.86394	0.8
88.41121	0.8
96.08117	17.5
97.06525	1.1
99.34142	0.8
113.10762	8.9
114.09145	70.6
124.03947	1.5
132.10205	4.7
164.52351	0.9
198.51263	0.8
202.51147	1.0
209.16452	31.2
210.14825	1.3
226.19174	8.5
227.17487	19.6
228.15895	34.5
245.18513	8.1
321.26450	1.0
322.24802	17.4
339.27536	3.8
340.25882	11.5
341.24243	11.6
358.26944	7.8
397.78214	0.9
435.33459	1.8
453.34323	9.1
454.32855	3.8
471.35144	7.5
566.42578	6.0
584.43719	4.6
678.50549	1.2
679.50922	5.1
697.52124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.4
57.03423	4.7
57.07069	10.1
61.02918	17.4
67.05491	16.0
69.03395	1.4
69.07050	21.9
71.08608	9.2
73.02896	3.9
73.11839	0.9
75.04431	0.8
76.59653	0.8
79.05502	6.2
79.05865	0.8
81.03387	0.9
81.07043	29.0
83.08601	29.1
85.02885	21.5
85.10164	5.7
85.81128	0.9
91.03933	21.2
92.16814	0.9
93.07018	7.8
93.14963	0.8
95.08583	34.4
97.02872	10.3
97.06517	7.2
97.10141	23.1
98.61563	0.8
107.08554	9.7
107.52895	0.8
109.10129	20.0
111.08050	4.6
111.11678	10.3
113.09650	0.8
121.10110	34.8
123.11662	7.2
125.09620	1.5
125.13236	1.4
127.03899	4.7
135.11661	28.7
137.13200	1.3
139.11156	2.0
145.04938	8.1
149.13216	13.1
151.14807	3.5
153.12645	1.5
163.05951	9.6
163.14787	6.1
165.16377	4.0
177.16318	1.9
247.24104	20.8
265.25180	30.6
283.26208	5.3
318.77255	0.9
325.11285	1.5
339.28830	42.3
357.29904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43371	0.9
69.03429	4.3
78.38641	0.9
80.99770	1.0
81.03428	1.4
85.02914	6.9
92.05003	1.0
95.04945	1.0
96.08134	4.0
97.02887	4.2
103.72661	0.9
106.06550	20.7
108.08111	5.8
109.02890	5.7
123.06836	4.1
124.07589	16.5
127.03909	1.9
133.71919	1.0
134.06003	20.5
136.07619	6.2
152.07059	90.6
162.05492	58.9
164.03435	19.4
170.08115	32.2
173.97421	1.0
174.05502	1.0
178.05017	2.2
187.05981	1.3
188.03416	64.7
206.04437	1.0
293.09299	1.3
295.10843	4.0
297.08682	1.7
316.59372	1.1
321.08908	1.5
326.89572	1.1
519.15594	1.1
537.17218	10.4
681.22131	1.1
699.22339	100.0
707.11633	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	700.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
57.02971	1.2
57.03431	7.5
57.07073	53.2
61.02923	17.0
61.77533	1.1
63.25083	1.0
65.45588	1.4
67.01902	1.1
67.05502	11.9
69.07063	11.4
71.08624	55.4
73.02898	5.1
75.04472	3.0
77.42827	1.2
81.07050	26.5
82.74508	1.1
83.08623	15.5
85.02898	26.3
85.10172	40.3
91.03947	22.4
95.08591	43.6
95.23940	1.3
97.02869	9.4
97.10155	23.6
99.11716	1.9
109.10157	25.4
111.11692	9.7
123.11681	11.6
125.13322	2.0
127.03894	5.9
130.04836	1.1
137.13275	4.3
145.04961	8.0
163.05930	9.8
196.91948	1.2
267.26794	6.6
285.27774	2.6
341.26297	2.1
341.30469	68.9
359.31509	100.0
428.80170	1.5
543.79987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02612	0.2
64.16418	0.2
81.03402	2.3
85.02882	0.5
89.03873	0.3
97.02879	1.5
99.04404	0.4
101.66643	0.2
109.02864	15.3
117.03328	1.3
127.03892	8.3
136.69550	0.2
139.03838	0.3
145.02826	17.2
149.05936	0.4
169.04942	1.8
177.05434	100.0
229.06998	0.5
273.96286	0.2
279.75131	0.2
289.09198	0.4
381.11731	15.5
442.27603	0.2
669.19238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90195	1.4
68.44138	1.5
69.03432	3.6
81.03411	10.4
97.02883	8.3
99.04444	15.2
109.02868	38.8
117.03312	2.5
127.03891	24.8
145.02831	31.7
147.04370	1.8
175.03893	2.3
177.05432	100.0
217.64789	1.7
321.09485	2.0
381.11722	55.2
579.78833	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22135	2.6
60.28991	3.7
63.78182	3.0
68.01342	2.9
69.93981	3.0
73.11538	2.7
81.21909	2.8
85.02905	4.0
93.04848	3.0
94.70560	3.3
98.03881	3.4
105.41502	3.6
109.21191	3.7
118.83695	3.9
130.74582	3.6
143.38129	4.0
191.03880	5.2
200.04503	5.2
294.94916	4.1
355.81360	3.6
362.59756	7.4
386.26590	3.7
409.17755	4.0
450.28104	4.2
705.07178	5.9
705.18420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72061	1.3
52.68246	1.6
56.96654	1.4
65.09653	1.4
68.07171	1.6
73.73619	1.7
81.03394	2.1
109.02843	2.4
119.04945	3.3
121.02620	1.6
125.05984	2.8
127.03897	2.6
137.05957	20.7
145.02838	8.0
147.04373	3.9
149.85147	1.8
149.89705	1.8
151.03931	8.8
153.01801	2.2
153.86427	1.6
161.05946	2.1
175.03888	3.8
177.05412	31.5
178.05794	12.9
179.07076	3.0
181.04948	2.3
207.06540	11.8
293.94101	2.1
315.05222	2.1
331.08044	21.3
343.08078	30.5
355.08112	14.6
373.09073	13.8
430.10687	4.3
464.10721	2.6
465.12006	3.8
475.10260	10.6
476.11191	10.6
479.13058	15.1
491.13135	21.6
509.14783	2.5
700.22998	2.0
705.21674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05928	0.7
51.19243	0.7
51.30022	0.7
54.54230	0.7
55.96075	0.8
63.24696	0.8
92.17039	4.9
95.08591	1.7
108.91708	0.9
119.04955	1.2
127.59305	0.9
137.05922	6.8
145.02808	3.7
151.03900	7.3
151.45110	1.0
159.08081	0.9
161.13321	1.0
174.06764	1.7
177.05450	6.0
177.91606	0.9
195.15169	1.0
219.08083	1.1
221.07690	0.9
223.09204	1.7
239.10663	1.2
243.09674	3.8
249.08969	1.5
253.08568	1.1
261.10800	8.0
263.06934	1.8
267.10095	4.8
270.05194	5.9
272.10367	1.6
273.12799	1.4
277.08490	2.1
278.09366	4.1
279.10086	1.2
285.11099	1.3
295.09705	1.9
297.11078	1.4
299.12723	8.4
300.13391	1.5
309.11127	4.5
310.11954	8.4
315.04965	18.0
316.05557	7.5
327.12140	33.9
328.12967	22.2
329.06836	1.2
331.08054	100.0
339.19034	1.0
355.20584	5.6
357.20020	9.3
375.20758	2.1
386.08466	0.9
531.32733	1.0
675.20593	7.7
705.41949	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	705.4025
Annotation	Voacamidine
Peak:m/z	Relative Intensity
50.09870	1.1
50.19429	1.1
51.28700	1.2
72.19021	1.2
77.71628	1.3
87.00832	1.4
102.14989	1.4
104.05606	1.4
142.27849	1.7
145.01062	1.3
146.00470	1.3
149.55667	1.3
347.09085	1.8
543.35114	50.2
543.43286	2.5
705.40210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52889	0.9
58.03042	1.1
59.85706	0.9
63.79045	1.2
66.90031	1.1
80.20181	1.2
81.03407	4.1
81.61841	1.0
85.49149	1.1
91.05508	3.6
109.02856	2.4
117.03360	6.9
119.04905	11.9
143.11208	1.1
145.02831	52.6
147.04399	17.1
151.03954	1.9
157.04027	1.4
175.03882	50.5
177.05444	100.0
201.75571	1.2
207.06499	67.5
221.89690	1.2
233.82658	1.2
337.06808	1.1
339.10739	6.0
369.11716	4.5
707.21643	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	711.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45713	1.7
57.03440	4.9
67.84082	1.9
79.44889	2.4
81.63912	2.0
85.02905	3.4
93.42561	2.1
99.04431	2.7
103.03957	4.9
117.05510	17.1
123.67383	2.2
127.03905	4.8
138.37924	2.4
153.01845	4.8
153.28278	2.5
154.88828	2.2
177.05386	2.3
315.04996	2.7
316.05698	5.3
329.06674	2.6
331.08090	100.0
331.11966	4.5
405.11679	5.6
549.16089	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	711.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01303	1.4
66.73904	1.4
69.03429	3.6
78.03445	2.0
81.03414	11.6
85.02878	5.8
97.02876	3.7
106.02892	34.7
106.20696	1.4
109.02869	19.6
124.03926	85.2
127.03899	6.8
147.94960	1.5
154.56917	1.5
162.05467	100.0
164.02087	3.1
164.03384	37.7
167.96593	1.4
178.04988	9.1
179.01396	1.7
181.21381	1.4
188.01698	3.0
188.03387	94.9
206.04478	3.1
206.14751	1.5
240.55922	1.7
250.07085	2.4
268.08099	31.2
278.71063	1.7
332.07483	6.3
348.83490	1.8
350.08923	2.9
617.16040	31.2
635.16925	26.1
711.21991	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	711.2425
Annotation	Moracenin D
Peak:m/z	Relative Intensity
66.90552	0.7
79.05477	1.6
91.05462	0.9
92.17431	1.0
103.05420	1.2
105.06323	1.2
105.07022	32.6
107.04946	1.5
113.91695	0.9
115.05447	3.5
133.06473	77.3
143.05014	1.0
143.06047	3.5
147.04405	4.7
157.06491	3.7
161.05948	100.0
167.07018	8.2
173.06068	1.1
175.03925	4.0
180.07739	1.2
193.08572	51.8
201.05481	2.0
208.03673	1.4
223.05980	8.8
236.25323	0.8
237.09300	1.0
240.32031	0.8
276.07690	1.0
292.07166	1.2
293.08011	1.2
309.07315	1.0
310.08322	5.1
311.09436	1.0
322.08582	1.0
325.10559	1.8
337.10516	2.0
355.11740	4.8
557.45490	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	713.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71557	2.1
51.07952	1.9
57.76732	2.5
57.95365	2.1
58.27933	2.1
87.04856	2.5
101.31609	2.8
107.04915	4.4
119.04909	12.0
133.06465	3.9
143.07301	2.6
147.04350	42.5
157.10304	2.6
161.05846	3.3
167.06996	23.0
167.43044	2.3
191.07016	10.5
199.07512	11.8
221.17133	2.6
231.08240	3.4
248.08270	4.8
261.09149	4.0
263.10599	5.4
273.09097	10.4
276.07825	11.8
277.08478	3.2
288.07874	3.6
289.08472	17.3
290.09235	11.6
291.10025	12.2
293.08026	5.8
293.11301	3.1
301.08655	5.6
305.08194	4.6
306.08716	2.7
308.10397	4.8
319.09467	39.0
320.10327	10.8
321.11105	5.2
323.96555	2.9
351.07916	3.3
351.12207	100.0
353.13879	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	715.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32907	0.5
53.03925	2.4
55.01088	0.6
55.24292	0.6
69.03414	8.0
72.71352	0.5
78.03429	3.9
81.03396	11.0
84.48050	0.7
85.02869	7.5
96.04477	1.1
97.02886	5.6
99.04428	3.4
104.38587	0.6
106.02161	1.1
106.02893	45.6
109.02856	15.8
124.03924	100.0
127.03880	9.3
148.82903	0.6
154.68994	0.7
162.05521	1.1
163.78279	0.7
166.04947	1.2
232.05901	0.9
242.33667	0.7
250.07011	10.5
268.08087	64.1
286.09164	13.0
386.33792	0.8
535.15399	10.1
553.16541	69.9
580.80804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30862	2.4
61.55453	2.3
63.04761	2.4
85.02910	2.9
115.75970	2.6
117.10848	2.7
124.03918	4.7
144.38974	2.7
147.19324	2.5
160.37105	3.0
162.05490	5.0
178.18718	2.7
188.03400	3.9
207.06480	3.1
238.50189	3.0
279.15836	3.2
350.23041	3.1
409.20990	3.0
430.98181	2.9
717.23840	4.0
717.46643	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	722.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47928	4.6
60.04522	47.8
61.02903	12.8
65.00757	4.8
67.05492	47.6
69.07054	22.3
79.05473	7.2
81.07038	73.2
83.08620	10.3
85.02882	30.0
90.49091	5.6
90.81997	5.2
91.03953	21.6
91.05458	7.6
93.06982	7.8
95.08594	63.1
97.02884	10.4
97.10146	8.2
107.08617	9.4
109.10142	42.3
121.10130	23.1
123.11675	31.0
133.10086	8.6
135.11667	6.0
145.04950	5.5
146.16353	5.7
149.13245	12.4
152.21472	6.4
161.13246	8.7
163.05899	13.6
175.14757	9.3
189.16341	6.7
203.17625	6.0
217.10387	6.1
245.22632	42.9
256.26340	27.5
263.23666	100.0
274.27325	50.9
296.20776	7.0
337.27264	51.5
355.28366	68.6
532.85315	7.2
722.43024	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	723.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91922	0.3
52.63638	0.3
65.18892	0.4
90.05407	0.4
236.85631	0.6
260.23300	0.4
282.03693	0.4
381.07867	100.0
652.88263	0.4
692.88507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35620	8.3
50.78402	7.6
60.88815	8.4
70.01254	9.3
77.33989	7.7
78.85782	8.6
79.57798	7.9
81.03417	10.1
85.02943	8.8
88.65810	8.0
101.04190	8.6
115.49477	12.1
117.21368	8.0
127.13406	9.5
145.02812	12.6
175.03880	40.9
176.04674	9.9
177.05508	15.1
194.05940	9.5
207.06529	53.7
235.07559	41.5
238.30023	11.1
247.05795	12.3
263.06979	11.5
267.10199	55.2
293.07953	12.2
294.08499	12.4
295.09583	22.7
304.38284	10.4
312.10013	16.6
321.07516	99.1
322.07852	37.8
325.10709	12.9
326.11526	16.1
353.10223	88.6
354.10367	100.0
387.70172	11.5
399.10779	10.9
442.36496	12.3
446.45923	10.2
486.28906	11.5
516.15796	17.9
579.16992	22.5
679.50928	13.2
724.21625	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	725.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26077	0.9
65.23575	0.7
71.04982	1.1
85.02882	1.7
92.16869	0.9
92.70782	0.7
105.80822	0.8
270.05185	1.5
315.04834	9.6
316.05731	4.0
331.08060	100.0
361.13770	0.9
370.56708	0.9
408.74481	1.0
686.05927	0.9
725.18872	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	725.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
59.92670	0.5
69.03438	4.8
73.02903	1.0
78.03443	3.3
81.03419	15.7
85.02908	5.4
90.80980	0.7
92.16807	0.9
96.04453	1.4
97.02883	5.6
99.04417	1.1
106.02908	34.6
109.02869	18.4
124.03937	88.2
125.06677	0.6
127.03923	8.6
132.04460	2.7
136.51062	0.7
162.05476	100.0
164.03401	37.9
166.04997	0.7
178.04958	8.3
187.06131	0.8
188.03403	98.6
190.05005	0.7
206.04500	5.1
232.05923	0.7
238.36165	0.8
247.92355	0.7
250.07094	5.0
268.08133	32.0
286.09445	1.4
300.04788	0.8
318.95013	0.8
327.25232	0.8
332.07648	5.4
350.08633	1.5
355.00134	0.7
358.14798	0.8
368.09534	2.8
385.05099	0.8
387.95334	0.7
430.80484	0.9
440.15491	0.9
599.14899	3.8
617.06360	1.2
617.16095	34.4
635.17139	30.3
707.22656	0.9
725.23901	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	727.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04981	2.3
83.73786	1.4
85.02899	2.8
87.59715	1.3
90.54331	1.4
100.79813	1.6
124.03858	1.7
147.04436	1.8
162.05544	2.3
219.90921	1.5
255.06577	2.5
256.07272	3.2
268.08252	1.6
283.05978	1.5
284.06769	64.3
284.40662	1.4
287.05295	2.0
299.05447	50.5
311.05319	2.5
312.06171	23.3
315.05054	7.0
329.06516	18.7
330.07321	16.3
331.08041	28.8
419.09692	100.0
580.64478	1.5
581.14246	1.7
588.29535	1.8
727.20441	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	727.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27279	5.5
65.74842	6.5
69.03397	8.7
76.48179	7.1
85.02881	28.7
104.88377	7.5
121.02860	7.5
124.03918	9.8
126.77799	6.8
141.61989	7.2
152.86865	8.2
242.33296	8.3
258.97168	7.7
271.74896	8.3
294.05222	12.6
295.05948	49.9
307.05981	54.6
325.06943	79.8
337.06967	100.0
347.09174	9.4
349.06976	60.7
351.08478	16.4
363.08487	10.2
375.08777	9.6
379.08026	95.1
391.08160	33.5
397.09216	11.6
403.08160	11.0
409.09024	11.4
445.11270	62.5
481.11041	11.9
499.12366	50.2
511.11865	13.8
529.13391	13.1
547.14258	61.9
563.13153	8.4
681.22284	8.7
691.18201	11.4
709.19373	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	727.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
88.04382	4.1
136.35730	4.3
150.25919	4.4
155.16006	4.4
295.05957	37.6
307.05972	24.8
325.07037	61.4
337.06961	42.9
347.09451	5.1
349.07025	58.3
351.08661	10.8
355.08224	7.3
361.06934	9.2
365.09891	6.1
379.08035	100.0
391.07996	22.1
397.09302	5.4
403.08054	29.0
405.09293	6.5
409.09134	24.3
415.08087	6.2
421.09064	8.0
427.09235	4.8
433.09045	27.0
433.43753	4.9
445.08917	10.0
451.10031	6.7
457.08829	5.4
545.55872	5.7
607.16339	8.4
619.16504	7.1
631.15973	8.6
661.16962	6.4
673.17517	8.3
691.18567	29.3
709.19617	66.7
727.20221	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	727.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17180	1.0
58.17514	1.2
68.63354	1.1
79.05479	2.0
80.60007	1.0
91.05447	6.6
107.04945	6.9
119.04923	19.9
127.01007	1.3
129.71184	1.3
137.05995	2.2
144.72514	1.2
147.04388	100.0
157.06476	2.3
167.07025	22.6
181.04942	10.8
184.05141	1.9
185.06058	1.4
191.03448	1.2
212.04709	1.6
217.08562	2.2
230.05794	2.5
233.07982	2.4
245.08041	76.4
261.08990	1.3
264.07715	2.9
269.85721	1.3
275.07010	2.0
277.08334	1.3
279.10175	2.1
292.07275	2.5
293.81573	1.5
307.09610	4.6
309.07376	1.6
311.12930	1.7
324.09940	2.6
335.09171	2.2
337.07184	1.7
339.12204	6.6
352.09607	1.8
353.09921	1.6
367.11780	7.7
399.14417	24.3
417.15121	2.4
507.75076	1.4
563.18909	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30157	1.4
58.88059	1.5
79.05479	1.6
82.18395	1.8
84.49296	1.7
91.05479	6.4
107.04948	9.0
119.04887	23.0
134.01451	1.6
137.05948	3.5
147.04369	100.0
153.86613	1.8
156.60420	1.6
157.06459	2.8
159.08138	2.2
161.05978	2.0
167.06992	25.9
177.05365	1.9
181.04951	16.4
190.12889	1.8
191.03423	3.0
217.08496	6.9
219.08180	2.0
230.05783	7.5
233.07962	2.3
236.38086	1.8
245.08022	80.8
247.07454	2.8
264.07767	2.6
277.08487	2.2
279.10098	7.4
292.07266	4.0
307.09683	2.6
309.07364	2.5
337.06998	2.3
353.10132	3.5
367.11703	12.2
399.14493	22.1
417.15405	2.7
563.18878	26.2
664.58429	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	727.237
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15844	0.8
61.30453	0.8
66.91641	0.8
81.07036	1.0
91.05467	4.1
105.84013	0.9
119.04899	15.9
131.04909	1.5
147.04376	100.0
163.07484	2.1
176.08275	1.1
181.04900	11.5
189.09128	1.5
191.06891	7.0
209.40300	0.9
371.11127	20.2
399.14243	4.1
462.56125	1.0
648.89935	1.1
702.89502	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	735.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66840	1.6
67.51662	1.6
73.35213	1.7
75.48061	1.5
81.03391	2.1
87.21112	1.6
89.03870	2.0
102.35976	1.7
109.02864	2.4
117.03370	8.1
127.03917	7.1
137.05997	19.4
145.02834	49.8
147.04425	2.9
149.05960	3.0
164.11452	1.7
169.04900	15.0
169.53061	2.2
177.03874	3.4
177.05432	100.0
201.05415	18.4
263.06781	1.9
277.08545	10.5
290.05688	14.4
293.08032	3.1
305.08014	28.2
307.09647	2.1
309.11179	2.2
325.10934	3.9
337.10623	21.6
345.09592	6.5
355.11780	12.9
367.11911	3.1
545.45190	1.8
735.22302	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	735.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06121	28.4
62.40593	2.2
69.07066	2.4
80.67101	2.3
84.16508	3.2
85.07658	48.1
101.07128	3.6
103.07980	3.5
103.08688	100.0
170.10358	2.8
179.84256	3.2
339.28842	3.4
735.48254	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	737.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78365	0.8
81.03390	1.7
97.02886	1.4
109.02872	10.7
127.03838	2.9
149.36116	0.9
154.00571	0.8
162.05466	100.0
164.03398	14.1
178.04980	4.1
188.03392	48.3
190.04959	7.3
206.04472	3.3
208.06070	6.2
316.08102	1.7
332.07520	12.1
350.08643	5.5
352.10202	1.9
368.09518	2.0
437.11502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97771	1.3
70.33777	1.5
73.10854	1.5
78.17766	1.4
79.81555	1.5
86.59160	1.7
124.80989	1.4
149.08461	1.9
161.96033	2.7
169.96600	8.7
173.96101	20.4
181.96582	3.1
185.96037	7.6
187.97595	2.8
197.96057	3.8
198.96960	1.6
199.97626	8.4
203.97162	8.5
209.96043	3.8
215.97089	12.3
216.97900	2.2
217.98682	2.1
227.97119	15.7
233.98198	13.2
234.98912	2.1
239.97195	3.3
257.98395	2.1
275.99207	100.0
276.99915	5.3
294.00372	15.3
306.00244	2.4
311.81274	1.6
378.02194	2.2
396.03333	22.5
414.04431	2.9
456.05612	2.3
658.64740	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	740.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98270	5.8
55.05505	6.7
57.07077	12.5
61.02906	28.3
62.06089	13.0
67.05491	55.0
68.97134	7.7
69.07066	33.2
73.02876	8.0
79.05478	7.4
81.07051	100.0
85.02914	17.3
91.03940	36.8
91.05517	8.3
93.07023	18.8
95.08591	72.0
97.02875	8.3
105.07058	9.8
107.08576	16.5
109.10152	47.7
119.08563	8.2
121.10166	15.5
123.11705	29.9
127.03873	13.5
133.10088	12.2
135.11725	11.7
147.11722	17.0
149.13254	8.0
161.13261	9.8
163.06012	15.0
245.22606	45.9
257.89102	7.6
263.23633	95.9
322.15305	8.8
337.27356	46.9
355.28433	82.0
740.42749	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	741.2024
Annotation	Halistanol Sulfate G
Peak:m/z	Relative Intensity
61.08740	2.3
61.69043	2.3
61.86748	2.4
85.02932	2.6
104.25332	2.9
145.02835	42.0
155.56638	3.0
177.05461	100.0
247.54916	3.6
283.06061	17.7
313.07022	18.0
321.07492	3.4
337.07062	26.1
349.06952	10.3
367.08182	17.6
403.10129	24.0
413.68231	2.8
621.83783	2.7
630.00653	2.7
741.19836	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	741.2011
Annotation	Isovitexin 7-O-(6'-O-E-p-coumaroyl)glucoside
Peak:m/z	Relative Intensity
51.71098	0.4
56.87369	0.4
57.53370	0.4
78.37507	0.4
81.03400	4.5
81.09939	0.4
85.02882	2.2
91.05448	3.5
97.73232	0.5
99.00796	0.4
109.02837	2.2
119.04910	12.4
124.03922	0.6
147.04376	100.0
152.96536	0.4
162.05502	0.6
165.05441	2.0
267.06375	0.9
271.05942	3.6
281.08087	0.6
283.05942	29.0
284.06818	0.5
291.08588	2.3
295.05786	3.1
307.05923	0.6
309.03970	0.9
309.07523	4.7
309.10236	1.5
313.06973	42.5
321.07321	0.7
323.08987	5.8
333.07690	0.7
337.03000	0.8
337.06946	14.4
349.06842	4.0
351.08670	2.1
352.05310	0.4
361.07111	3.1
367.08026	3.2
370.33221	0.5
379.07944	5.1
385.16541	0.7
397.09070	0.9
415.10062	6.5
433.11160	22.4
579.14813	0.8
621.15784	1.9
721.89813	0.5
741.20135	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	743.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18425	0.3
57.75417	0.3
59.24508	0.3
63.91642	0.4
65.03927	1.3
79.05481	1.6
84.94809	0.3
91.05464	7.8
95.04908	0.6
107.04950	12.2
117.07043	0.4
119.04924	26.0
124.05183	1.9
125.05961	1.4
145.06502	3.3
147.04388	100.0
152.04663	0.5
153.05424	0.4
157.89871	0.4
164.54614	0.3
167.07004	26.3
171.06563	0.3
173.05931	2.7
179.53203	0.4
181.04921	23.2
183.04494	0.7
195.06404	0.5
201.05438	10.4
205.08566	4.1
229.04961	1.4
233.08040	8.3
261.07449	3.4
306.65643	0.4
355.11652	0.6
387.14337	8.0
415.13812	43.0
579.18298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00667	1.0
53.03944	2.0
54.09358	1.0
69.03410	5.7
78.03442	4.7
81.03396	12.9
85.02879	2.3
97.02868	5.0
99.04421	1.6
106.02902	38.9
109.02840	20.6
117.26346	1.0
124.03923	85.1
127.03902	6.2
132.04428	2.3
144.04420	1.7
162.05453	94.0
164.03374	45.3
166.04950	1.5
178.04993	6.3
188.03368	100.0
206.04396	5.6
212.06544	1.3
250.07040	2.7
268.08063	33.4
286.09048	1.5
332.07547	7.0
350.08582	2.9
424.48605	1.2
470.88358	1.3
599.14545	6.1
617.06104	2.2
617.15985	46.2
635.17126	24.1
713.35828	1.5
745.20343	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	748.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53661	0.6
57.03442	0.7
59.08938	0.6
61.05232	0.7
64.37177	0.6
69.03412	5.2
71.45293	0.7
78.49040	0.6
81.03410	1.0
83.04961	1.4
85.02876	1.0
91.05500	0.8
92.17419	2.1
104.02399	0.8
107.08578	11.7
111.04441	2.7
119.08550	100.0
129.05431	3.9
129.23984	0.8
135.08026	33.7
135.09003	1.5
147.06488	1.5
189.52614	0.8
281.13638	1.1
346.94092	0.8
415.21078	33.9
432.23666	1.4
434.94269	0.8
545.25873	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	757.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88084	1.7
69.03418	3.7
81.03394	8.6
85.02409	2.0
85.02889	4.4
86.72891	2.0
97.02884	2.6
106.02914	30.0
109.02878	20.1
124.03937	84.6
127.03884	3.7
136.65857	2.2
146.06079	2.5
162.05476	94.3
164.03403	40.5
166.05139	2.2
178.05005	11.4
188.03404	100.0
188.07047	3.2
205.09641	2.4
206.04628	2.4
239.24184	2.2
250.07054	2.4
268.08151	29.3
271.54825	2.0
286.09201	2.5
332.07315	2.9
390.13754	2.8
454.63535	2.1
568.04010	2.2
617.16071	28.0
635.17310	21.9
757.23413	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	761.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21944	0.8
60.25262	1.0
91.05447	4.0
91.84454	1.3
95.04937	0.9
119.04929	14.8
130.06413	1.0
142.22952	1.2
147.04381	100.0
153.89777	1.0
165.05621	1.1
177.05409	2.0
181.04892	12.4
192.07837	2.0
207.06529	5.1
219.02321	1.0
320.74982	1.2
371.11191	16.5
579.18707	1.2
770.58582	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	764.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24522	2.2
59.70135	2.2
69.03423	4.5
81.03407	4.0
81.07057	6.1
85.02881	22.1
88.82176	2.4
93.07000	3.1
95.08588	5.7
97.02887	5.2
97.10126	3.4
105.06993	5.4
106.02888	3.3
107.08559	5.1
109.02834	3.5
119.08584	21.3
121.10103	16.3
122.02670	2.5
123.11674	40.1
124.03890	3.5
127.03868	3.0
133.10094	21.9
135.08029	16.8
135.11662	14.9
141.24814	2.7
145.04875	3.6
147.08022	40.9
147.11647	3.9
149.13167	4.6
159.11620	3.1
161.09587	4.1
162.05525	3.7
171.11673	2.9
173.09636	5.4
173.13231	4.1
175.14798	28.7
183.11723	2.9
184.89282	2.9
187.11128	5.5
188.03407	2.8
189.12663	6.3
199.14688	2.3
209.13240	4.3
213.12714	5.4
227.14142	3.3
229.15871	2.8
235.76256	3.0
239.17894	3.4
255.21054	13.0
265.19434	22.9
283.20486	100.0
301.21552	80.9
312.64783	2.6
319.22540	42.4
404.22446	5.3
422.23514	17.2
440.24506	71.2
602.30060	2.9
764.35028	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	771.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06739	0.5
56.13680	0.5
57.46058	0.5
58.80195	0.5
65.51661	0.6
65.89682	0.6
71.61036	0.6
74.41674	0.6
77.78875	0.6
97.02861	4.3
103.68629	0.7
119.04919	0.6
121.02822	0.8
147.04404	1.4
164.03374	0.8
167.03345	3.3
172.30067	0.6
175.03865	6.1
177.05334	0.7
191.39133	0.6
207.06488	10.9
229.08517	1.0
229.63991	0.8
241.10776	0.7
271.05951	100.0
321.09601	2.6
365.31967	0.6
394.24332	0.7
433.11191	4.1
529.94043	0.8
789.84106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2115
Annotation	Rhamnocitrin 3-(5'-ferulylapiosyl)-(1->2)-glucoside
Peak:m/z	Relative Intensity
54.59035	1.2
55.90524	1.1
67.63696	1.2
71.16270	1.2
81.48328	1.0
85.45833	1.4
97.02859	4.5
108.33950	1.2
124.03991	1.9
145.02809	6.0
175.03717	1.7
177.05472	14.6
207.06567	1.3
218.55135	1.4
271.06006	6.6
285.36816	1.3
286.04755	9.6
301.06995	100.0
463.12079	5.8
474.62610	1.3
673.56525	1.3
723.11066	1.4
771.25726	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	771.211
Annotation	CHEBI:75371
Peak:m/z	Relative Intensity
58.25884	1.5
59.66970	1.5
61.79786	1.6
81.03403	3.6
85.94427	1.6
95.12868	1.6
109.02863	2.0
117.03352	12.9
122.33440	1.6
124.03931	3.2
138.02133	1.6
145.02812	65.2
148.04588	1.9
149.05946	2.0
151.49475	1.6
177.05417	100.0
198.19882	1.7
207.06494	1.9
236.27269	1.7
271.05832	7.1
281.08197	2.1
283.02740	2.5
283.05936	64.1
295.05933	2.1
309.07373	12.3
309.27673	1.9
313.06995	88.2
323.08990	12.9
333.07333	2.0
337.06940	31.4
349.06927	12.3
351.08551	2.6
361.06952	8.3
367.07947	3.5
379.08157	10.7
397.09186	3.2
415.10031	14.5
433.11200	46.2
565.93298	1.9
584.49731	1.7
771.20990	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	771.2121
Annotation	CHEBI:75371
Peak:m/z	Relative Intensity
55.45735	0.2
57.03437	0.2
63.02356	0.2
69.03412	1.2
70.90349	0.1
71.04990	0.2
81.03409	4.8
85.02881	1.5
89.03906	1.7
99.04414	0.6
109.02869	2.5
117.02559	0.3
117.03359	6.6
121.02896	0.4
127.03835	0.3
127.20667	0.1
134.03609	0.3
135.04362	0.7
145.02829	49.1
147.04388	0.9
149.05966	3.1
163.03857	0.3
177.05441	100.0
186.05460	0.9
195.06599	0.8
228.96620	0.2
267.06491	1.1
270.05130	0.3
271.05948	4.0
281.08075	1.1
283.05966	27.9
284.06818	0.6
295.06039	3.2
295.09320	0.3
297.07559	0.3
307.05988	0.9
309.04102	0.5
309.07489	6.8
309.10889	0.3
313.07016	44.3
321.09830	2.6
323.05594	0.3
323.09100	6.5
325.07153	0.3
333.07669	1.1
335.05704	0.2
337.06992	13.9
339.10767	6.0
343.08084	0.2
349.02637	0.3
349.06995	4.9
351.08496	1.2
361.06949	3.8
367.08102	2.7
379.08081	5.4
397.09140	2.5
415.10190	7.8
433.11252	24.1
463.12521	0.2
465.62585	0.2
566.61896	0.2
591.14722	0.7
595.16620	1.0
609.16272	2.1
651.17004	1.4
657.89154	0.2
753.19611	0.9
771.21179	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	771.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83805	3.1
66.75701	3.0
70.06554	7.8
73.38972	3.6
126.41286	3.8
162.05440	5.0
176.21704	3.8
180.27550	4.0
199.01714	5.2
201.03152	5.8
646.13379	4.0
771.24701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83346	0.8
65.41520	0.8
69.03406	1.6
72.00227	0.8
75.73628	0.9
79.69148	1.0
81.03396	4.8
85.02882	1.3
91.05458	2.0
97.02869	1.2
99.04433	1.3
108.04509	1.1
109.02850	6.4
110.22280	0.9
119.04903	9.3
127.03885	3.7
147.04382	100.0
162.05455	39.0
164.03395	12.5
165.05417	1.2
167.81728	1.1
178.04962	1.6
188.03391	40.8
206.04471	3.5
220.69905	1.1
224.05440	1.6
291.08667	1.5
309.09598	5.8
332.07639	9.2
349.05731	1.0
350.08618	5.4
368.09653	5.3
440.15308	2.2
622.15491	1.2
640.16388	5.0
783.27576	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	787.205
Annotation	CHEBI:75517
Peak:m/z	Relative Intensity
58.25093	1.0
61.13948	0.9
66.52485	1.0
69.03386	1.1
81.03389	6.8
85.02892	1.7
106.02889	2.6
109.02876	4.7
117.03383	8.7
124.03893	7.5
145.02817	59.0
149.05986	2.2
162.05559	1.2
177.05418	100.0
235.92960	1.1
287.05463	2.2
299.05447	33.7
311.05292	1.7
325.03445	1.7
325.06845	7.8
329.06485	46.5
339.08383	1.6
339.10886	1.6
353.06512	14.6
365.06549	4.7
373.88940	1.3
377.06607	4.9
383.07397	2.3
395.07541	4.3
413.08502	2.2
431.09698	7.8
449.10651	21.8
625.14911	1.9
761.85541	1.3
762.04541	1.2
787.20538	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	792.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
61.35752	0.1
69.07052	3.2
70.02152	0.2
71.08636	0.2
73.06555	0.2
79.05468	1.1
84.23886	0.1
96.08118	20.9
97.06516	1.1
97.66693	0.2
98.09674	0.2
113.10753	9.4
114.09152	100.0
115.07550	2.1
132.10193	2.4
191.15430	0.4
192.13803	0.9
208.18088	3.6
209.16464	46.6
210.14862	3.2
226.19101	17.3
227.17497	11.2
228.15910	32.1
245.18575	3.2
270.94604	0.2
321.26437	3.3
322.24835	28.2
323.23203	1.3
339.27493	11.9
340.25922	5.0
341.24307	14.4
358.26950	1.7
417.32242	0.2
434.34900	3.0
435.33255	10.6
436.31815	0.8
452.35928	6.8
453.34357	2.7
454.32751	3.0
471.35681	0.3
547.43127	1.8
548.41534	3.4
565.44275	3.1
566.42542	1.7
567.40973	0.2
606.76874	0.2
660.51550	1.0
661.49756	1.5
678.52631	0.8
679.51166	2.4
774.58374	2.6
792.59473	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
60.71178	0.9
69.03403	8.1
71.04973	1.3
73.02905	2.3
73.06541	5.8
73.76208	0.9
73.91106	1.0
81.03403	17.0
83.04942	2.0
84.13866	1.1
85.02890	31.4
97.02879	17.7
99.04433	17.5
101.05993	11.3
103.03928	21.1
109.02855	38.2
110.11295	1.1
118.19019	0.9
119.75703	1.1
123.04343	1.6
125.54928	1.1
127.03889	100.0
139.03934	1.3
140.20679	1.1
145.04918	16.0
162.05438	2.6
164.03487	1.2
169.04948	2.1
181.08559	1.3
187.05965	7.3
188.03363	1.7
229.07069	1.6
235.05809	1.3
253.06908	2.1
259.11649	4.5
271.08121	5.7
277.12796	4.0
289.09097	2.5
338.30664	1.2
397.10892	1.9
415.12247	7.2
433.13242	14.4
451.14481	12.1
487.17651	2.2
505.19275	8.4
523.20422	12.2
613.27002	2.2
708.73584	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	794.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00838	0.9
72.08135	5.1
81.03400	1.6
85.02919	1.6
89.10764	1.7
109.02856	5.9
117.03364	1.5
127.03938	1.5
132.04404	1.2
145.02826	22.4
162.05464	36.8
163.04041	1.2
164.03378	11.2
177.05431	100.0
178.04935	1.6
187.01575	1.1
188.03389	49.1
248.12724	5.3
265.15454	19.7
370.18915	1.1
454.93124	1.2
604.73169	1.1
632.24127	6.0
778.09723	1.3
787.38226	1.2
787.53943	1.6
794.29639	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	797.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55758	0.5
59.59072	0.5
68.34583	0.5
73.29590	0.5
82.74628	0.6
84.47295	0.6
92.17425	1.0
98.63638	0.5
108.62648	0.5
112.89577	100.0
143.22707	0.6
196.58797	0.7
349.95706	1.0
455.01019	12.6
700.31378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31252	1.0
65.26640	1.0
69.03409	5.1
78.03422	1.6
81.03418	7.3
85.02888	7.3
88.57883	1.1
97.02866	2.6
106.02901	24.4
109.02855	15.7
124.03928	69.0
127.03869	4.4
162.05472	100.0
188.03357	1.4
190.04999	14.6
208.06047	2.0
250.07034	2.1
268.08145	36.5
270.07724	1.5
286.09296	2.5
352.10001	2.7
362.42178	1.2
394.11276	4.7
412.12180	1.5
430.13629	9.5
601.17108	9.4
619.17279	6.0
637.18494	5.8
763.21613	5.6
781.22430	5.1
799.23645	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	801.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55630	0.3
65.03911	0.4
71.55971	0.3
71.99109	0.3
91.05481	0.4
92.66107	0.3
97.02880	4.7
100.52251	0.4
108.70628	0.3
114.09139	2.0
114.09937	0.4
119.04916	1.2
121.02847	0.4
129.18915	0.3
136.33958	0.3
138.96614	0.3
147.04388	2.4
151.25500	0.3
166.67014	0.3
167.03354	2.4
175.03885	7.5
177.05522	0.4
207.06497	8.6
209.16460	0.4
209.77985	0.3
229.08591	0.7
257.07996	0.4
275.09125	0.6
286.04700	9.9
301.07037	100.0
321.09656	1.9
322.24823	0.5
339.10809	0.4
463.12256	5.7
746.91504	0.3
801.10754	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	801.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93519	0.4
58.02965	0.4
97.02879	4.9
117.03370	0.5
123.57144	0.4
145.02841	5.1
149.02344	0.6
149.54323	0.4
151.03900	0.5
167.03362	0.9
175.03955	0.5
177.05463	10.4
189.09125	0.7
217.08698	0.8
270.05197	2.1
287.05646	0.7
291.08630	2.2
309.09402	0.5
315.04984	8.6
316.05688	4.5
331.08096	100.0
493.13367	6.8
715.16321	0.5
801.22644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2212
Annotation	Isoscoparin 2'-(6-(E)-ferulylglucoside)
Peak:m/z	Relative Intensity
56.12447	1.2
59.96824	1.3
69.03413	1.5
75.44808	1.4
81.03397	2.7
84.22754	2.0
85.02869	2.0
85.48846	1.3
106.02863	2.5
109.02868	1.9
109.07787	1.4
117.03331	10.0
124.03976	2.0
124.88560	1.6
145.02798	53.3
149.05917	2.3
175.80037	1.4
176.77618	1.6
177.05417	100.0
268.08145	1.6
284.11801	2.1
301.07062	2.1
313.06979	34.2
325.06699	1.6
329.28979	1.6
339.10715	3.0
343.08011	54.8
353.10065	2.4
355.78442	1.5
367.07904	16.5
379.08066	7.2
391.08099	2.7
445.11130	8.8
463.12238	23.3
646.94250	1.6
739.91888	1.8
801.22491	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	804.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30754	1.5
62.98466	1.5
66.41179	1.4
69.03446	3.0
74.45580	1.6
74.59767	1.6
78.61017	1.5
80.97457	1.5
81.03411	8.8
85.02895	3.1
96.08130	2.1
97.02885	2.0
104.80117	1.7
106.02920	24.0
106.06564	13.9
109.02871	9.7
115.46394	1.7
124.03928	47.6
124.04751	2.4
124.07565	15.2
127.03936	3.2
127.81895	1.7
134.06009	19.2
136.07648	2.1
152.07059	61.4
162.05467	35.5
164.03427	18.9
170.08089	28.9
188.03404	55.2
232.06044	2.0
250.07202	3.2
268.08136	14.6
804.24481	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	815.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95891	1.8
69.03423	2.2
69.22720	1.9
69.33882	2.0
81.03397	8.8
85.02901	9.0
90.57609	2.0
91.49474	2.1
97.02872	4.8
101.76547	2.4
106.02905	29.7
109.02879	12.0
124.03939	100.0
127.03864	10.0
147.04227	2.4
162.05460	69.1
164.03441	17.1
178.75139	2.0
188.03384	77.0
194.36263	2.3
195.03577	2.3
205.51945	2.2
268.08096	48.9
286.09247	12.7
332.07602	4.8
409.21756	2.4
430.13419	9.0
455.81464	2.8
617.16095	11.2
635.17401	8.8
653.17828	10.7
658.82281	2.8
797.21460	3.6
815.23730	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	815.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
73.12859	2.6
81.03412	7.1
85.02874	4.3
95.45524	3.8
97.02881	4.1
100.76614	3.2
106.02910	33.6
109.02827	23.0
124.03928	78.4
127.03894	4.0
129.11241	3.1
157.81013	2.9
159.13786	3.1
162.05452	77.7
164.03325	22.4
166.99113	3.0
178.04950	11.6
188.03407	100.0
206.04449	5.9
268.08057	31.9
286.09250	16.0
335.14224	4.3
342.85788	4.0
359.14929	4.3
437.36179	3.9
601.26093	3.4
614.32391	3.7
617.15857	7.9
635.16876	16.7
653.17682	6.6
762.82434	3.4
797.22382	6.0
815.23047	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	816.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78325	0.6
60.62177	0.7
65.92426	0.6
69.03412	2.4
81.03413	5.0
85.02885	2.6
90.34713	0.6
91.05456	3.0
97.02834	1.1
99.04443	0.9
102.10078	0.6
106.02897	7.6
109.02870	4.4
119.04921	10.9
124.03925	20.3
125.64925	0.6
127.03856	2.5
147.04393	14.2
157.03914	0.7
162.05499	2.4
175.03865	63.8
207.06482	100.0
248.57051	0.6
250.07034	1.1
268.08102	7.2
286.09116	11.4
351.10678	3.4
369.11743	3.7
636.19165	6.3
654.20172	36.8
727.14825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63870	7.4
94.92976	8.1
99.80398	6.9
112.13803	6.0
136.93997	100.0
148.94070	24.5
166.38727	6.7
166.95058	34.6
331.33243	7.2
381.07901	28.7
419.03455	94.1
629.63629	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	830.549
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51917	4.5
70.89702	4.9
92.16769	11.6
124.03954	8.0
196.95102	5.2
462.74615	6.9
579.72076	6.4
629.06915	5.5
692.04065	5.6
830.54999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.3
69.23216	0.3
76.31392	0.3
81.37711	0.3
91.05461	0.3
97.02879	4.1
119.04922	1.9
146.05818	0.3
147.04408	2.9
149.02336	0.5
167.03357	1.7
175.03889	6.8
177.05428	0.4
181.04921	0.4
207.06506	7.6
207.10757	0.3
229.08485	0.5
252.62032	0.3
270.05197	2.2
275.09177	0.7
287.05420	0.6
298.04431	0.3
303.08231	0.4
315.04944	9.9
316.05695	4.9
321.09720	2.1
331.08084	100.0
339.10712	0.5
373.08963	0.3
493.13364	6.1
617.59357	0.3
831.22565	1.3
838.22546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26173	0.5
64.90685	0.4
85.02882	0.6
92.17470	0.6
124.03978	0.5
176.22626	0.7
207.06676	0.6
219.04309	0.5
230.95750	0.7
270.05255	3.2
287.05215	0.8
315.04984	9.7
316.05627	4.9
331.08032	100.0
360.89893	0.6
445.14709	0.6
527.15442	26.3
835.26428	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	842.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	5.7
73.02936	1.0
73.88792	0.8
74.88377	1.1
78.03425	1.6
81.03407	12.0
83.64315	0.9
85.02866	4.2
94.90678	1.0
97.02870	2.4
106.02889	32.6
109.02853	20.8
124.03912	91.3
127.03880	4.9
131.78448	1.0
162.05446	100.0
164.03377	35.1
178.04948	5.5
188.03366	85.8
190.04944	2.4
206.04428	4.6
250.07097	1.9
268.08078	33.3
286.09277	1.7
332.07553	4.3
350.08643	2.0
507.12308	0.9
532.67560	1.1
599.14795	4.1
601.15961	1.6
617.15985	39.6
617.25897	1.8
619.17053	1.5
635.17133	30.7
842.21942	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	842.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	4.2
62.06055	4.6
67.05491	14.6
69.07058	3.6
71.08613	14.4
73.46878	3.2
79.05486	5.1
81.07037	5.1
83.08607	12.6
85.02881	14.3
85.10177	6.6
91.03941	6.4
95.08597	20.0
97.10166	34.9
107.08572	5.5
109.10101	4.4
123.11658	3.1
125.09608	57.7
146.94920	3.5
171.10161	12.1
189.11163	47.5
208.21973	4.4
227.12735	100.0
245.13812	96.0
313.27383	63.0
483.36761	58.7
501.37784	6.2
567.51648	3.9
598.39386	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	845.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02859	1.4
97.02874	1.8
101.17812	1.2
103.65923	1.4
109.02851	12.3
127.03871	3.4
132.04430	2.0
162.05472	74.9
164.03403	20.7
184.22250	1.9
188.03386	100.0
199.97176	1.4
206.04393	3.2
206.26321	1.3
224.05461	1.9
234.71082	1.6
261.02695	1.4
314.06668	6.5
321.31058	1.5
332.07584	13.1
350.08603	9.0
368.09451	5.9
553.59637	1.6
645.13708	1.7
699.17029	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	857.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
78.07011	2.3
81.03416	2.7
85.02898	2.5
92.17255	2.6
109.02873	4.2
119.04944	4.1
133.06433	3.8
137.05981	100.0
147.04413	3.2
151.03951	2.4
161.06009	9.6
162.06822	3.0
175.07552	12.1
184.50760	2.6
187.07452	3.3
199.07515	4.4
201.05455	30.4
219.08043	3.3
235.89165	2.5
247.07549	3.3
249.09155	3.7
251.10614	12.8
262.06155	4.1
265.08643	5.4
277.08585	26.4
279.10229	9.8
280.20639	2.8
290.05643	20.3
291.10089	4.3
293.08191	6.1
294.08908	4.3
305.08005	43.6
307.09662	14.9
310.28268	2.7
311.12869	4.0
319.09622	3.1
322.08264	4.9
323.09192	10.1
323.12704	4.4
325.10699	19.0
337.10724	38.2
355.11710	28.5
517.16949	6.2
640.83405	2.9
708.51007	3.1
734.61670	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	858.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38042	2.0
81.03441	7.9
85.02868	4.2
87.38461	2.4
97.02877	3.0
106.02887	28.0
108.93464	2.2
109.02837	15.8
124.03912	79.1
127.03872	4.8
162.05440	79.5
164.03371	29.0
188.03369	100.0
206.04526	3.8
243.96513	2.3
268.08038	28.9
286.09027	3.8
468.79260	2.7
617.15912	34.8
635.16925	27.8
858.21539	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	873.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83509	2.0
69.03416	2.6
77.19753	2.2
78.03441	3.9
78.80737	2.1
81.03401	9.7
85.02912	5.4
92.62303	2.5
97.02913	2.3
99.04456	2.7
106.02913	33.7
106.56267	2.1
109.02885	20.5
124.03945	100.0
127.03912	4.2
161.64143	2.4
162.05482	96.8
164.03412	39.2
178.04987	5.2
181.11697	2.1
188.03416	82.3
232.05951	2.7
268.08115	59.5
293.71237	2.1
411.28561	2.4
430.13541	5.4
617.15839	20.8
635.17017	5.5
657.76801	2.4
711.21967	11.6
779.21344	26.0
797.22491	20.7
873.27710	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	875.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
80.29921	4.0
81.03394	3.3
81.69197	3.2
93.23196	3.2
94.64684	3.2
97.02923	3.6
109.49431	2.9
111.22200	3.6
117.03356	6.5
119.04897	5.2
121.98520	3.2
133.02852	11.7
137.05965	47.7
145.02826	51.2
147.04376	7.5
149.05917	3.4
151.03888	21.8
151.07417	3.6
161.05936	5.1
175.03757	3.9
175.07527	3.7
177.03903	6.1
177.05417	100.0
187.07469	5.4
201.05455	16.5
251.10657	5.1
323.12329	4.0
325.10593	15.7
355.11728	21.0
371.11200	4.2
388.76395	4.1
582.92847	3.2
649.45129	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	880.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04965	0.5
81.03393	5.9
85.02876	0.9
89.03876	0.4
90.15846	0.4
97.02868	2.2
99.04440	3.3
109.02849	32.0
117.03316	3.0
119.88172	0.5
127.03873	19.0
127.64034	0.5
139.03851	1.7
145.02808	34.2
149.06017	1.0
169.04901	21.3
170.85760	0.5
177.05411	100.0
229.07008	0.7
237.13492	0.5
253.13431	0.5
271.08179	0.6
276.08194	0.5
285.07608	0.8
289.09171	1.8
297.69501	0.5
303.08646	0.8
345.09567	9.6
517.01599	0.5
519.92542	0.5
557.16394	24.7
607.98688	0.6
660.96698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84418	1.0
70.78632	1.0
74.18705	1.2
92.16837	1.4
101.76157	1.1
102.87778	1.3
118.06522	2.4
144.08090	5.3
146.05984	34.8
159.09161	2.6
177.05453	7.4
188.07027	100.0
205.09700	28.7
291.08096	1.4
394.79718	1.2
529.73053	1.2
592.02716	1.4
741.62384	1.5
842.87463	1.3
863.65381	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	887.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81777	0.9
69.03418	6.7
75.11844	0.8
78.03461	1.1
81.03411	9.8
85.02887	10.3
97.02858	5.1
99.04441	1.6
106.02898	36.1
109.02868	18.0
124.03930	100.0
127.03924	8.1
132.04352	1.3
162.05469	79.1
164.03384	37.2
174.05473	1.7
178.04955	8.2
188.03395	72.1
206.04440	5.0
227.89539	1.0
232.05894	1.3
250.07106	2.3
268.08109	49.4
275.90948	1.1
286.09219	2.0
332.07590	2.3
358.14688	1.6
368.09555	1.5
394.11334	4.0
408.27612	1.0
430.13330	12.5
520.19720	1.2
557.24579	1.1
599.14410	1.2
617.16089	18.0
635.17157	8.2
725.23260	7.4
779.07635	1.0
779.21393	25.8
797.22198	16.8
887.29138	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	893.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90162	0.2
71.07360	1.1
71.08649	0.8
86.09692	19.4
89.07726	0.3
92.17467	0.4
95.08575	1.2
99.33452	0.2
104.10730	76.2
123.11690	0.2
124.99980	7.3
147.46541	0.2
163.01517	0.9
184.07310	100.0
187.79504	0.3
192.10867	0.2
231.74695	0.3
254.62341	0.2
258.11032	0.5
285.24210	4.0
391.22406	1.0
402.92575	0.3
405.41360	0.3
450.29755	2.6
468.30795	56.9
550.52295	0.3
564.40649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03402	1.7
69.24453	1.1
73.02908	2.0
81.03410	2.2
91.44520	1.2
92.87128	1.2
96.08147	1.9
97.02865	1.7
104.01766	1.1
106.06543	8.6
108.08123	2.2
109.02879	5.2
124.07550	10.5
124.46430	1.3
127.03925	6.0
134.05984	13.9
136.07611	1.9
152.07047	50.9
162.05481	70.2
164.03415	19.3
169.05040	1.4
170.08095	27.0
178.04999	2.9
188.03407	88.9
197.75844	1.2
206.04552	2.0
231.02994	1.3
268.62262	1.5
295.10931	2.1
296.11243	1.4
305.84320	1.2
321.08740	2.7
350.08542	1.5
383.95593	1.2
409.04971	1.7
489.00781	1.5
519.16638	1.6
537.17316	1.5
601.67981	1.4
613.75500	1.7
635.77612	1.3
788.94202	1.6
822.94818	1.3
904.26025	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	905.6782
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	2.4
77.44832	0.1
77.85754	0.1
79.05471	0.8
82.37133	0.1
92.79168	0.1
96.08109	15.1
97.06492	0.6
113.10743	5.9
114.09145	68.8
115.07552	1.5
132.10204	1.5
186.68919	0.1
191.15344	0.3
192.13806	0.5
208.18040	2.2
209.16452	35.1
210.14844	2.3
226.19089	12.2
227.17493	7.2
228.15901	23.2
245.18564	2.9
321.26401	2.2
322.24814	20.1
323.23154	1.3
339.27493	8.2
340.25867	3.6
341.24277	11.5
358.26913	1.7
434.34744	2.1
435.33237	6.7
436.31744	0.6
452.35876	5.4
453.34302	2.7
454.32645	3.1
471.35388	0.7
539.26208	0.2
547.43262	1.5
548.41492	2.3
565.44281	2.9
566.42706	1.5
567.40466	0.2
660.51709	1.0
661.49426	1.1
678.52618	1.2
679.51074	0.8
773.60919	0.2
774.58148	0.2
792.59412	1.1
887.67133	2.3
905.67792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03402	8.7
78.03410	2.4
81.03400	8.4
81.64301	1.9
85.02881	4.4
97.02857	3.5
106.02888	40.6
109.02846	23.5
124.03916	100.0
127.03865	3.7
140.15945	2.0
143.73643	2.2
162.05449	86.3
164.03387	45.7
169.64392	2.1
178.04942	10.4
188.03392	73.6
196.06071	1.9
206.04512	2.7
268.08105	50.8
281.62582	2.0
332.07547	3.3
394.11536	2.3
430.13284	12.3
467.27905	2.0
617.15863	32.3
635.17053	11.4
675.35980	2.0
745.20483	2.7
779.20831	22.8
797.22888	17.8
907.25720	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	908.392
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01020	2.5
69.03424	3.0
69.18126	2.5
81.03400	6.1
81.07012	4.3
85.02876	22.5
95.08544	5.0
95.14208	2.8
97.02883	4.4
97.10135	3.1
99.04409	11.9
101.39899	3.2
103.03900	20.6
105.06995	4.8
107.08562	6.6
109.02863	6.0
109.10119	3.6
119.08532	30.1
121.10087	11.4
123.11667	43.9
124.03938	4.1
127.03889	42.2
133.10088	23.9
135.08040	12.7
135.11633	5.4
142.27223	3.6
145.04909	4.4
145.10078	6.2
147.07999	52.6
147.11652	5.5
159.07999	4.6
161.09547	4.9
162.62337	3.0
163.30476	3.2
166.03163	3.4
171.11617	5.3
173.09576	13.1
175.14766	42.6
187.11093	5.1
212.03741	7.3
213.12714	6.0
223.14670	5.8
246.45697	3.4
255.20993	17.5
265.19464	20.4
283.20508	100.0
301.21548	58.1
319.22632	4.3
392.09619	3.5
404.22552	6.1
422.23395	18.3
440.24396	16.0
548.57104	4.0
728.33325	22.2
746.33875	15.3
748.78546	4.0
890.38190	48.6
908.39319	37.1
928.73450	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	909.6466
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04549	1.6
73.05856	1.7
77.22012	1.4
113.92007	1.5
152.32617	1.6
162.87247	1.7
174.20064	1.7
178.19998	1.6
343.45990	1.8
413.72345	1.9
459.92783	2.1
501.74561	1.9
618.06873	2.1
643.47052	1.7
708.24506	2.6
795.34521	2.1
861.92639	1.9
909.64465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.255
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	7.1
71.04990	1.9
74.21482	1.7
77.91117	1.9
78.03398	2.4
81.03407	4.7
85.02896	13.4
97.02903	3.3
99.04377	2.3
106.02905	34.9
107.71538	2.1
109.02837	16.6
109.42091	1.9
124.03931	100.0
127.03860	3.1
147.04263	2.3
161.45087	1.9
162.05460	21.6
164.03432	3.6
168.72066	1.9
188.03401	85.4
206.04630	4.0
268.05219	2.8
268.08105	61.3
293.82965	2.1
338.59131	2.5
342.22821	2.1
375.19769	2.3
455.10501	3.7
520.42572	2.3
605.65668	2.3
617.15881	9.2
635.16974	9.9
743.19086	4.0
761.19550	12.9
779.20654	11.1
797.22375	49.2
935.24890	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	942.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.7
81.03403	1.6
97.02904	1.3
109.02882	11.0
127.03893	5.7
127.65555	1.1
128.17667	1.1
132.04448	1.8
147.79048	1.2
151.30794	1.1
157.80066	1.1
162.05464	80.4
164.03369	15.2
178.05009	2.1
188.03391	100.0
190.04979	2.7
206.04475	5.3
208.06073	4.3
236.86652	1.3
266.04840	1.1
296.05649	1.5
311.55136	1.3
314.06448	2.6
332.07629	12.8
350.08694	11.7
357.64828	1.2
363.21475	1.1
368.09796	6.6
627.12292	2.1
645.13043	2.1
663.14429	2.2
761.56268	1.4
867.97046	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	943.6362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51860	1.4
65.92401	1.4
101.59651	1.9
139.43021	1.8
174.30809	1.6
205.87523	1.6
210.36429	1.8
219.76003	1.7
271.44696	1.6
301.68262	1.8
341.25098	1.9
412.01852	1.8
448.50177	1.9
742.17731	2.1
943.63751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.1
67.33733	0.1
71.07368	1.2
71.08628	0.7
81.07048	0.2
83.08599	0.4
85.10169	0.5
86.09696	20.8
95.08582	0.6
97.10158	0.1
98.98447	0.4
104.10733	75.8
105.11086	0.1
109.10157	0.4
123.11724	0.1
124.99985	7.9
140.27234	0.1
163.01549	1.0
178.09030	0.1
181.02579	0.4
184.07318	100.0
186.07744	0.1
199.03656	0.2
239.23732	0.1
257.24875	0.1
258.10947	1.0
281.98331	0.1
313.27316	3.7
419.25589	0.8
425.81055	0.1
478.32910	3.6
496.33929	63.2
497.34128	0.2
498.34552	0.4
554.85144	0.1
705.76318	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	955.384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	8.0
73.02924	1.8
73.06531	5.7
77.88744	1.3
79.50076	1.3
80.56722	1.2
81.03400	9.4
83.04943	2.7
85.02886	29.8
97.02837	13.8
99.04423	14.7
101.05975	7.5
103.03916	19.1
109.02856	34.8
124.03979	2.1
127.03886	100.0
145.04924	21.1
163.05959	2.1
169.04883	3.5
187.05991	8.3
213.99068	1.5
229.07013	2.3
253.06943	2.4
259.11676	3.1
271.08041	8.0
272.32510	1.7
277.12830	2.1
289.09085	1.5
415.12387	8.5
433.13321	9.0
451.14246	18.1
468.90506	1.7
505.18686	7.4
523.19995	19.7
531.97223	1.8
541.21063	5.7
572.77527	1.4
599.34235	1.5
613.26447	7.9
661.16864	1.9
811.85626	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	958.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03387	1.9
81.03400	1.5
89.79079	1.3
103.63443	1.2
109.02859	8.5
127.03923	5.9
132.04388	5.0
162.05463	65.2
162.06790	2.9
164.03416	12.8
178.04990	2.7
188.03387	100.0
206.04437	7.3
266.92175	1.8
314.06491	1.8
332.07608	8.9
350.08517	2.3
368.09787	2.5
436.01129	1.5
514.38892	1.5
519.10260	1.8
537.11487	3.0
555.12311	5.7
645.13312	1.5
663.14380	2.4
722.47070	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	966.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03426	4.4
97.02866	5.1
104.43076	3.8
106.02905	15.1
106.06526	5.0
109.02818	5.9
124.03907	37.9
124.07552	7.1
134.06007	7.7
152.07028	42.0
162.05478	42.1
164.03363	7.9
170.08109	27.3
188.03406	51.1
268.08157	28.4
305.88062	5.3
804.24255	4.7
936.43634	4.2
966.29681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07370	0.5
74.82401	0.2
81.07043	0.3
85.10174	0.5
86.09695	22.0
104.10732	67.9
124.99995	6.7
128.73026	0.3
163.01512	0.5
184.07315	100.0
222.10135	0.3
258.10995	1.4
313.27362	2.6
419.25302	0.5
478.32944	3.3
496.33917	57.0
548.69086	0.3
558.96948	0.4
567.04291	0.3
710.39093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	1.8
74.99136	0.8
81.03423	4.5
85.02892	3.9
91.05477	7.6
105.67001	0.9
106.02889	7.1
107.16525	0.9
109.02875	5.7
112.50596	0.9
119.04929	13.1
124.03931	19.7
127.03902	1.7
140.39543	0.9
147.04384	19.1
162.05478	3.6
175.03868	65.0
188.03416	3.5
207.06494	100.0
250.07097	1.7
268.08127	7.2
286.09204	11.9
351.10620	3.6
369.11844	5.3
430.13455	1.5
531.16980	1.7
593.09943	1.2
636.18811	3.9
654.19952	8.7
798.24237	4.5
816.25293	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	979.6323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07359	1.1
86.09679	23.1
86.10159	0.9
89.34138	1.0
104.10721	76.3
117.05490	1.2
124.41185	0.8
124.99980	10.5
137.43361	0.8
184.07291	100.0
450.30371	1.6
468.30759	17.8
512.33386	9.6
979.63397	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	991.6692
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07353	1.9
71.08595	0.3
72.04565	0.2
83.08616	0.2
85.10147	0.3
85.95082	0.2
86.09686	24.6
91.32470	0.1
92.17401	0.3
95.08568	0.8
98.98427	0.9
104.10722	75.0
109.10126	0.3
114.28535	0.2
124.99968	10.5
163.01497	1.1
177.81258	0.2
181.02592	0.4
184.07294	100.0
198.08980	0.6
258.10959	1.1
291.82410	0.2
313.27325	2.3
419.25388	0.8
478.32791	3.6
496.33853	35.7
510.35397	0.8
520.76819	0.3
599.43903	4.0
865.53198	0.2
991.66962	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	997.6241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07036	0.5
71.07367	1.4
79.05472	0.2
81.07036	1.1
83.08612	0.2
85.38837	0.1
86.09689	23.3
91.05478	0.1
93.07037	0.2
95.08600	0.8
97.06480	0.1
98.98443	0.4
101.72054	0.1
104.10725	71.4
105.06983	0.1
107.08581	0.2
109.10124	0.5
111.94530	0.1
116.93798	0.1
119.08523	0.1
121.10104	0.2
123.11693	0.2
124.99976	9.2
135.11635	0.1
137.13156	0.1
147.11684	0.1
148.93730	0.1
149.13199	0.1
163.01471	1.0
181.02548	0.4
184.07304	100.0
199.03693	0.1
214.34395	0.1
240.09877	0.1
258.10928	1.0
261.49130	0.1
337.27286	1.2
443.25522	0.4
449.07242	0.1
502.32916	2.9
520.33905	74.5
580.70581	0.1
722.12238	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	997.6987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02200	0.4
319.11832	0.5
885.52747	0.5
997.69849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0401
Annotation	DL-beta-Hydroxybutyric acid
Peak:m/z	Relative Intensity
53.50484	0.2
55.50742	0.2
57.03453	69.3
58.99608	1.5
59.01384	97.3
64.51772	0.2
71.01382	1.4
73.02940	1.0
85.02944	5.9
87.00867	0.3
101.02444	2.6
102.98590	0.4
103.00378	2.9
103.04008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
54.44968	0.1
55.01875	0.3
63.68963	0.2
67.01894	10.8
67.53960	0.1
68.53061	0.1
70.75457	0.2
78.95906	100.0
83.01394	0.7
85.02940	0.2
110.95811	0.2
110.97598	1.7
110.98537	5.4
111.00880	22.2
111.01980	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	113.0609
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
51.92389	0.7
52.88682	0.7
55.01889	6.7
57.03456	22.1
57.99334	2.0
58.02982	12.5
59.01366	1.7
61.11436	0.7
65.01445	0.8
67.01895	1.5
68.01413	3.8
68.99559	10.9
68.99818	0.7
69.03109	1.3
69.03456	24.0
71.01389	2.1
71.02507	1.9
72.00902	1.9
72.91312	0.9
73.01689	12.7
80.96820	0.8
83.01385	4.6
83.02506	1.2
84.02172	10.0
84.99315	1.3
85.02950	100.0
86.02480	17.8
95.01400	1.6
95.95215	6.8
96.00866	2.7
105.68647	0.8
112.98762	3.8
112.99915	8.4
113.02446	37.7
113.03568	10.7
113.06082	62.4
113.50008	0.9
117.51493	0.9
118.55441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0035
Annotation	Maleic acid
Peak:m/z	Relative Intensity
51.14143	0.3
54.81628	0.4
59.01363	3.4
61.29121	0.4
61.47029	0.4
61.88793	0.4
65.64923	0.4
71.01373	100.0
71.05014	4.8
73.04062	1.0
76.54341	0.4
78.42417	0.4
84.61125	0.5
85.02960	0.4
87.00864	0.5
115.00356	14.1
115.03998	2.7
115.05229	0.8
115.05946	3.6
115.07635	0.8
125.27242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.04
Annotation	Ethyl pyruvate
Peak:m/z	Relative Intensity
53.00310	0.3
55.01875	0.4
57.33754	0.3
59.01384	8.0
59.92697	0.3
68.00387	0.3
70.18083	0.3
71.01378	100.0
71.04629	0.6
71.05011	12.0
72.99277	0.5
73.02937	0.3
73.03671	0.6
73.04066	15.4
85.02944	0.4
87.00861	0.5
87.04504	0.7
97.02923	1.2
97.93139	1.5
114.93394	6.3
115.00356	16.6
115.04001	20.6
115.05164	0.7
115.05869	0.4
115.07648	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	115.0764
Annotation	dimethyl ethyl acetic acid
Peak:m/z	Relative Intensity
51.88824	0.3
59.01386	11.2
69.03467	0.3
71.01382	5.4
71.02522	0.2
71.05018	13.2
72.00910	0.4
73.02953	0.5
73.04068	22.7
83.80225	0.3
84.38001	0.3
85.19435	0.3
87.00873	0.7
92.18428	0.3
97.02951	1.6
97.93133	1.8
114.93394	10.7
115.00346	1.2
115.01483	1.2
115.03059	1.2
115.04000	9.9
115.05169	2.4
115.07642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0504
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
58.02970	0.7
65.12214	0.3
72.04529	2.3
72.05335	0.3
73.98872	0.3
74.02061	0.5
74.02461	12.6
85.19881	0.4
89.01442	2.4
98.02433	0.5
99.92616	0.5
111.15891	0.3
114.41133	0.4
116.02566	3.7
116.05037	100.0
116.07146	15.9
116.92811	3.1
120.84447	0.4
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
55.01892	0.2
55.53163	0.1
59.01371	0.6
70.15952	0.1
72.20858	0.1
73.02941	100.0
75.00865	0.5
99.00874	9.4
116.92855	1.3
117.01929	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	117.0556
Annotation	5-Hydroxypentanoate
Peak:m/z	Relative Intensity
53.15289	0.2
55.01870	0.3
57.03442	1.3
59.01376	79.5
63.49241	0.2
71.01377	2.4
71.04662	0.2
71.05008	20.4
73.02933	45.7
73.06566	1.5
74.02476	0.6
75.00845	4.1
81.03416	0.4
87.00827	0.4
87.07951	0.2
88.78323	0.2
99.00864	4.1
99.04498	4.1
99.92564	20.1
108.35913	0.3
115.03999	1.8
116.92836	100.0
117.01920	11.6
117.05550	33.9
117.87496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01101	0.9
59.01384	24.6
62.66254	0.4
65.20090	0.5
65.99853	0.5
71.01379	13.8
72.99281	1.2
73.02930	0.9
75.00835	0.6
82.75861	0.5
83.01365	0.7
83.20959	0.6
91.03026	0.5
92.01414	1.4
92.18543	1.3
92.19015	0.7
118.92683	3.7
119.02562	10.9
119.03502	4.7
119.05016	100.0
128.83095	0.6
130.01659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.54182	0.3
59.01381	8.8
65.73095	0.3
71.01378	3.7
84.83328	0.4
87.67602	0.4
91.05508	0.6
93.03438	0.7
101.92418	0.4
118.92667	2.1
119.02489	2.0
119.05007	100.0
120.48551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.17892	0.2
59.01394	0.3
85.58691	0.4
88.26974	0.3
90.28505	0.3
91.05537	0.6
93.03442	0.5
110.36913	0.3
117.03456	1.4
119.05009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01363	2.2
69.68781	0.4
77.59830	0.5
87.59380	0.4
93.03436	0.9
93.28280	0.4
113.55122	0.4
119.05009	100.0
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
50.14338	0.1
51.90301	0.1
63.13744	0.1
75.69905	0.1
85.38795	0.1
88.29969	0.1
91.01904	0.1
92.02682	0.6
93.03456	0.9
95.01354	0.1
102.06681	0.1
108.02170	0.8
120.02182	0.5
121.02949	100.0
124.34507	0.1
127.85654	0.1
134.18117	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	125.0971
Annotation	2-Isopropylcyclopentanone
Peak:m/z	Relative Intensity
51.93357	2.0
55.01878	4.5
55.16454	2.2
64.93594	2.5
65.72128	2.2
65.85433	2.6
65.99843	12.0
67.03005	3.9
69.03445	34.8
71.05012	33.1
81.03436	20.8
81.04561	3.0
82.02992	4.6
82.04078	4.0
82.71520	2.4
83.05016	4.9
95.02475	3.5
96.71079	2.6
97.02933	39.2
97.04038	3.0
98.02446	4.7
111.95789	2.5
123.08132	4.3
125.02428	100.0
125.03522	22.1
125.04348	3.5
125.06103	9.6
125.09696	59.0
125.92899	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	125.0972
Annotation	1,5Z-Octadien-3S-ol
Peak:m/z	Relative Intensity
57.03443	11.5
63.27722	2.2
69.03471	10.4
79.13992	2.3
81.03458	10.6
82.03003	2.4
83.01359	2.6
97.02937	15.5
97.04053	2.5
97.06583	43.3
102.87463	2.3
123.08159	27.9
125.02448	39.6
125.03569	10.9
125.06068	5.0
125.09721	100.0
137.06313	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	128.0351
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
82.02971	1.8
84.04536	0.7
89.04700	0.3
128.03514	100.0
128.07153	2.9
136.56302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0191
Annotation	Itaconic acid
Peak:m/z	Relative Intensity
50.96470	0.3
52.74984	0.4
55.01859	1.1
55.57253	0.4
57.03445	4.5
59.01378	3.1
60.24818	0.4
67.01875	2.0
68.99796	3.1
71.01383	3.3
72.99300	0.8
73.02927	1.6
83.01344	0.6
83.04998	2.4
84.94290	0.6
85.02934	100.0
85.06569	1.9
87.00852	2.7
99.00858	8.3
101.02424	3.0
110.06671	0.4
111.00860	2.2
111.04499	2.3
111.71098	0.5
113.84615	0.4
114.07439	0.4
116.00859	0.4
127.36132	0.4
129.01918	22.2
129.03851	5.9
129.05534	4.8
129.09164	0.6
142.42355	0.4
142.48119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0921
Annotation	Heptanoic acid
Peak:m/z	Relative Intensity
51.82262	0.5
55.01873	0.8
57.03447	6.4
58.02979	0.5
59.01381	8.8
60.00887	0.7
66.25850	0.4
67.01883	1.3
68.99807	3.4
71.01357	2.6
72.99302	2.3
73.02946	4.4
81.47222	0.5
83.01371	0.8
83.05016	8.6
85.02941	11.8
85.06575	6.8
87.00864	3.8
99.00858	0.7
101.02425	5.1
111.00879	2.8
111.04501	7.3
129.01945	10.2
129.02951	0.7
129.05563	16.9
129.09209	100.0
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	Isoleucine
Peak:m/z	Relative Intensity
52.75331	0.3
58.02992	0.3
61.65408	0.3
64.97651	0.3
82.42913	0.2
84.08173	0.6
88.04037	1.4
93.57112	0.3
97.58950	0.3
98.47565	0.3
100.18112	0.3
121.76366	0.3
130.08733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0348
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
57.03432	0.2
59.01374	0.6
59.52052	0.2
61.51806	0.1
69.03442	1.2
71.01366	0.3
72.47084	0.1
73.02935	0.9
85.02937	0.9
85.06580	0.8
87.04499	100.0
101.02428	0.7
104.29471	0.2
113.02431	6.4
114.01952	0.3
131.03487	27.9
131.07118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
57.03448	0.7
59.01382	0.8
67.82520	0.1
68.99813	0.2
69.03462	1.1
70.69170	0.1
71.01381	0.3
71.02538	0.2
71.05027	0.2
73.02946	2.0
75.00880	0.2
83.54578	0.2
85.02937	1.7
85.06594	2.1
85.41754	0.2
86.01951	0.1
87.04511	100.0
101.02438	0.8
113.02445	6.9
113.03600	0.3
114.01949	0.3
131.03502	28.0
131.07144	1.2
131.09055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	(S)-(-)-2-Hydroxyisocaproic acid 
Peak:m/z	Relative Intensity
50.03065	0.3
50.09103	0.3
53.85860	0.4
57.03445	2.5
59.01382	6.2
68.99809	2.1
69.03445	1.7
71.01369	3.0
73.02939	9.2
75.00848	0.5
79.45488	0.3
82.77155	0.4
83.01355	0.7
85.02944	8.5
85.06580	93.6
87.04508	6.7
101.02435	3.9
101.06079	1.8
101.29469	0.4
103.07658	0.5
107.95206	0.4
113.02420	2.9
113.03555	0.5
113.06081	1.9
114.01942	0.7
129.05579	1.7
131.03500	6.5
131.07126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	(S)-(-)-2-Hydroxyisocaproic acid 
Peak:m/z	Relative Intensity
52.87416	0.3
57.03442	1.4
59.01382	4.5
61.34041	0.3
61.70616	0.3
63.51062	0.3
67.16521	0.3
68.99823	0.7
69.03455	0.9
71.01369	1.7
71.50589	0.3
73.02943	7.6
75.00857	0.6
83.05036	0.5
85.02950	5.2
85.06584	100.0
87.04507	4.6
87.08099	0.3
101.02438	3.8
113.02473	1.3
113.03571	0.7
113.06105	1.8
114.01989	1.2
129.05568	2.2
131.03537	3.6
131.07137	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
50.97651	0.3
59.01374	1.6
61.12073	0.3
63.67388	0.3
63.90974	0.3
66.16808	0.4
71.01378	46.2
72.99303	9.7
73.02947	0.8
87.00867	2.0
89.02440	7.6
89.05792	0.4
95.05029	0.6
105.03470	2.7
106.04070	1.4
107.96745	0.4
115.00364	100.0
118.28121	0.3
123.04498	1.5
132.02190	0.4
133.01431	35.0
133.02945	5.3
133.04091	2.7
133.04964	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	133.0141
Annotation	Malic acid
Peak:m/z	Relative Intensity
56.26380	0.3
57.71530	0.3
59.01371	1.1
63.52747	0.3
70.44122	0.2
71.01370	51.0
72.99293	9.6
85.57547	0.3
87.00872	3.0
87.04518	0.4
89.02425	8.9
92.70305	0.3
103.89941	0.3
115.00348	100.0
133.01411	35.5
133.05034	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	133.0295
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.25979	0.3
59.01382	0.5
65.00320	1.1
65.01450	0.2
67.93854	0.3
69.20153	0.2
71.01376	5.4
71.15501	0.3
71.50964	0.3
72.99297	0.7
75.00872	1.2
77.03954	1.7
87.00871	0.5
87.04494	0.3
89.02424	1.2
89.03958	1.7
91.02991	0.3
93.23236	0.3
95.05018	8.7
97.76839	0.3
104.02673	1.1
105.03473	2.5
115.00340	8.7
121.02993	0.4
123.04483	3.9
125.26013	0.3
132.02155	4.7
132.86774	1.5
133.01352	3.4
133.02945	100.0
133.06607	2.3
147.45955	0.3
149.79521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0295
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.23536	0.4
51.09530	0.4
55.68028	0.4
56.74630	0.5
60.22437	0.4
62.24331	0.6
64.20152	0.5
65.00305	0.7
71.01367	4.2
73.02905	0.6
77.03969	10.2
77.05254	0.5
87.04501	2.4
89.03971	4.8
95.05014	17.2
104.02692	0.7
105.03449	50.7
115.00345	8.7
123.04514	3.4
132.02158	13.2
132.86754	1.1
133.01355	2.5
133.02948	100.0
133.05002	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	133.0294
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
59.01363	1.8
65.00307	1.5
71.01373	31.3
72.99281	7.6
73.02950	1.0
77.03956	12.7
77.04365	1.1
87.00822	0.9
89.02449	6.3
89.03943	4.0
95.05006	18.1
101.05996	0.7
105.03444	55.3
115.00350	76.5
123.04497	6.1
132.02159	12.8
132.86768	16.0
132.90057	3.0
133.01437	26.4
133.02937	100.0
133.05098	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	133.0505
Annotation	3-Deoxypentosone
Peak:m/z	Relative Intensity
57.03436	0.3
59.01373	2.6
62.07569	0.2
62.67843	0.2
63.36825	0.2
68.94912	0.2
71.01374	85.5
72.56200	0.2
72.99297	9.8
73.02940	0.5
75.00861	2.3
85.02956	0.5
87.00864	22.6
87.04504	6.6
89.02430	29.1
93.76470	0.3
115.00354	100.0
115.92052	0.4
133.01421	37.0
133.05055	73.8
146.85275	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	134.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97425	1.5
89.33930	1.8
93.24323	1.6
106.04219	4.6
107.02496	3.3
107.03618	2.2
116.00709	8.2
118.61058	1.8
133.02948	13.9
134.02495	8.0
134.03688	100.0
134.04718	27.9
134.89471	2.9
135.24783	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	134.0472
Annotation	Adenine
Peak:m/z	Relative Intensity
92.02543	2.9
107.02560	0.4
107.03628	11.2
116.00697	1.0
134.04721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0451
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
54.28104	0.5
57.01021	0.6
59.39885	0.5
61.62397	0.7
70.74665	0.6
78.24786	0.7
92.02655	1.5
93.03440	21.4
106.04217	1.7
107.05022	13.6
108.02175	7.8
120.26448	0.7
123.04456	0.7
134.86528	84.7
135.04504	100.0
144.58516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60284	0.9
77.40381	0.9
82.60943	0.9
85.29388	0.8
92.02650	10.5
94.03780	2.2
95.01382	5.1
108.02161	45.4
110.07466	0.9
133.87538	0.9
136.01653	100.0
136.04849	29.8
152.94415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97062	0.4
58.36507	0.4
59.01373	1.8
63.34618	0.3
63.57439	0.3
64.75323	0.4
71.24132	0.4
73.98298	0.6
74.99088	100.0
85.33960	0.4
92.18456	0.5
93.03445	94.2
95.02533	0.5
102.01330	0.4
108.02139	1.8
108.38450	0.4
108.56108	0.5
109.02956	3.5
121.06567	1.7
136.86285	2.8
136.89169	17.6
136.90135	0.7
136.99155	5.9
137.02455	35.4
137.03542	4.6
137.09717	5.1
148.27501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83130	0.1
56.98032	0.4
60.97523	0.4
65.64017	0.2
66.56553	0.1
73.98319	1.4
74.99092	100.0
87.00868	0.2
92.18375	0.2
93.03448	9.9
99.53026	0.2
124.81672	0.2
136.86292	0.3
136.89160	0.3
136.99133	5.1
137.02461	3.9
137.03452	0.5
137.05936	0.2
137.09737	0.6
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
51.94325	0.2
54.50010	0.1
57.60755	0.1
64.71832	0.1
65.03959	0.2
73.64426	0.1
81.03461	0.2
93.03452	100.0
108.02153	0.7
109.02941	0.8
132.70477	0.2
136.01669	1.0
137.02446	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	137.0243
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
51.27266	0.1
53.49579	0.1
57.87329	0.1
65.03968	0.3
74.99078	0.2
91.01862	0.2
93.03438	100.0
97.74322	0.1
109.02929	0.2
135.00842	0.2
137.02423	41.6
158.18814	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	138.056
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
53.56688	0.4
59.20540	0.3
66.03484	0.7
68.01434	0.5
68.58180	0.4
83.78873	0.4
93.03441	2.9
93.61691	0.4
94.02995	2.8
94.03790	14.1
95.05025	2.2
96.05656	0.5
108.02172	3.6
110.02487	0.6
110.06049	0.5
111.01983	0.6
123.00871	2.2
123.03256	56.2
136.00406	0.5
137.32484	0.4
137.89215	0.8
138.01958	19.3
138.02832	5.4
138.05602	100.0
148.84631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.056
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
51.55345	0.5
54.48312	0.5
63.19699	0.5
66.03481	3.8
92.05028	5.2
93.03445	1.2
94.02974	100.0
94.03767	9.1
94.06573	0.7
96.04559	0.6
102.77332	0.6
108.02166	8.8
108.04546	15.3
109.57837	0.7
110.02473	3.3
110.03156	0.6
110.06094	1.1
111.01975	0.9
120.04500	5.5
120.65702	0.6
123.00861	6.9
123.03246	22.1
124.29934	0.6
136.00407	0.9
138.01959	76.5
138.02864	4.9
138.05598	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	141.0192
Annotation	2-Hydroxymuconate semialdehyde
Peak:m/z	Relative Intensity
55.01872	3.4
59.01365	6.7
67.01880	6.4
68.99812	6.8
69.03441	32.6
71.01375	0.9
80.09832	0.7
83.01383	1.2
83.05008	9.2
85.02933	7.6
86.00089	0.7
95.01366	7.8
96.97641	1.3
96.99284	1.6
97.02926	100.0
97.06574	6.4
99.00854	1.7
111.00852	5.2
111.04494	17.6
113.02403	3.2
122.90669	52.0
122.97525	1.3
123.00858	4.7
123.04520	0.9
125.99625	1.4
140.91690	1.5
141.00201	1.2
141.01921	34.8
141.02892	1.6
141.04532	0.9
141.05586	1.9
141.06616	0.9
141.09154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0509
Annotation	(+)-SQ 26517
Peak:m/z	Relative Intensity
58.02978	8.9
59.01393	0.2
69.03446	0.4
70.02966	0.4
70.03793	0.3
71.01375	0.7
71.05023	0.6
78.03475	0.2
78.95865	0.5
82.02969	0.3
85.02941	0.2
86.03239	0.2
93.31820	0.2
96.00894	0.2
96.04541	0.4
97.02961	0.3
98.02485	1.5
98.03280	1.0
98.05437	0.2
98.06106	14.3
100.04034	100.0
101.65010	0.2
111.95656	0.3
112.02271	1.1
112.04034	0.2
114.05623	0.2
121.12691	0.2
124.00394	2.3
126.99861	0.4
142.02377	1.6
142.05083	18.0
142.08710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0349
Annotation	Triacetate
Peak:m/z	Relative Intensity
55.01878	2.1
57.03452	4.2
58.02993	0.5
59.01381	29.1
68.99799	0.5
69.03450	3.9
71.01376	23.7
71.05025	4.5
73.02938	0.9
75.00778	0.5
81.03456	6.7
83.01376	7.2
83.05020	2.8
85.02943	16.2
87.00883	2.0
87.04517	0.7
92.18959	0.9
95.05017	0.7
97.02917	4.5
97.06570	5.3
99.00872	3.7
99.04510	100.0
99.08138	5.9
100.04048	2.7
101.02458	0.7
101.04366	5.1
111.00869	0.7
113.02438	6.0
115.03990	4.8
125.02448	4.1
125.06065	3.6
142.99878	1.6
143.03496	85.8
143.07129	15.9
143.10762	10.7
160.47791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1077
Annotation	Valproic Acid
Peak:m/z	Relative Intensity
53.58818	0.2
57.18960	0.2
59.01377	1.8
61.01797	0.5
69.03461	0.3
71.01384	2.9
71.05007	0.4
77.46051	0.3
79.18984	0.2
81.03426	0.3
85.02943	2.5
97.06569	1.4
99.04491	0.6
99.08141	1.8
120.01686	0.3
125.02439	0.4
125.06044	1.1
138.95755	0.2
143.02519	0.4
143.03523	1.0
143.07143	5.2
143.10770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1078
Annotation	Valproic Acid
Peak:m/z	Relative Intensity
57.03461	0.2
59.01369	0.6
63.39281	0.2
67.59284	0.2
69.03462	0.4
71.01384	3.1
71.05008	0.3
81.03439	0.2
83.04999	0.4
85.02950	2.0
87.00922	0.2
97.02936	0.4
97.06588	1.5
99.04514	0.4
99.08134	1.6
106.94424	0.2
113.02448	0.2
115.92121	0.3
116.02502	0.3
125.06071	1.4
143.03568	1.5
143.07135	4.2
143.10776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0454
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
50.22690	0.1
62.72700	0.1
75.73107	0.1
98.02626	0.1
100.07671	0.1
116.05059	0.2
117.06997	0.1
121.19945	0.1
126.03498	0.2
130.43434	0.1
144.04539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0295
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.04712	0.5
57.03451	0.5
58.90936	0.5
59.01375	4.8
59.96967	0.5
69.73062	0.6
71.01366	0.8
72.53325	0.6
73.02924	3.0
83.01363	0.8
83.05018	12.8
85.02947	0.9
87.00822	0.9
92.19057	1.1
99.08150	7.7
101.02435	3.9
101.06082	15.9
103.84123	0.7
117.03454	87.2
118.04078	1.2
127.03989	1.1
145.02950	100.0
145.04825	10.8
145.08690	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	145.0506
Annotation	2-Methylglutaric Acid
Peak:m/z	Relative Intensity
53.19306	0.3
59.01388	3.5
65.16528	0.3
69.03485	0.3
71.01374	1.4
73.02941	1.5
81.03441	2.0
83.05018	26.7
85.02955	0.6
87.00863	1.5
92.19009	0.4
99.00883	0.6
99.04541	0.4
99.08141	5.5
101.06072	100.0
115.00384	0.5
118.04082	0.4
127.04020	5.3
145.03059	1.4
145.05057	33.1
145.08698	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	145.0506
Annotation	2,2-Dimethyl Succinic acid
Peak:m/z	Relative Intensity
57.03458	0.2
59.01382	1.2
66.54810	0.2
69.03444	0.2
73.02940	0.3
83.05010	1.7
85.02949	0.3
99.04507	0.3
99.08157	3.4
101.06072	100.0
118.04086	0.2
127.04008	3.3
127.05019	0.3
128.03580	0.2
138.00684	0.3
143.15390	0.2
145.05054	38.3
145.08684	5.2
161.98013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0869
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
59.01361	0.4
59.63021	0.3
71.02905	0.3
71.05002	0.4
73.02928	0.5
73.54951	0.3
83.05015	0.8
97.06558	0.4
99.08144	100.0
101.06057	1.8
118.04130	0.6
127.07633	3.1
131.32779	0.4
143.07158	1.8
144.63332	0.4
145.04900	27.2
145.08688	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
56.09952	0.3
59.01386	3.1
61.24359	0.3
67.52325	0.3
69.03456	1.6
71.01375	0.8
73.02950	0.7
75.00861	0.6
81.03435	0.4
81.12161	0.4
83.05022	4.1
85.02946	0.8
85.06590	0.3
87.00868	0.8
87.04533	0.7
88.55081	0.4
91.33291	0.4
97.06522	0.5
99.04487	0.4
99.08147	42.4
101.06100	5.3
101.09711	0.7
109.06593	0.6
113.02429	3.4
116.90911	0.3
118.04111	1.9
127.03965	0.5
127.07637	2.2
143.05013	0.9
143.07129	1.5
145.02940	1.2
145.04066	1.0
145.05109	4.0
145.06592	7.0
145.08696	100.0
146.02451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0457
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
55.01889	0.2
57.63288	0.2
67.92645	0.2
73.14779	0.2
74.02462	0.4
75.95938	0.3
84.04510	0.2
85.02919	1.0
100.04041	0.4
101.02450	0.3
102.05590	100.0
128.03516	52.2
128.05486	0.3
139.70471	0.2
146.04572	36.3
153.81686	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	147.0297
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
53.11454	0.5
57.03186	1.0
57.03444	20.2
59.01373	14.4
67.56501	0.6
71.01357	9.5
72.99290	1.1
73.02917	7.3
75.00861	8.8
85.02394	1.4
85.02933	94.2
87.00856	100.0
89.02421	2.8
99.00855	3.4
99.74078	0.6
100.36223	0.6
101.02431	12.8
101.06073	1.3
102.05602	2.9
103.03997	27.7
103.05911	9.5
111.00838	1.2
115.00337	17.8
117.01925	4.2
129.01915	55.8
129.03888	5.0
147.02974	84.5
147.04869	3.9
147.06641	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	147.045
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
51.98792	0.4
53.37621	0.4
57.03459	0.4
59.01371	3.8
59.28227	0.4
63.03519	0.4
68.47467	0.5
71.01373	0.9
72.99285	0.6
74.74380	0.5
75.00864	1.9
85.86461	0.5
85.91142	0.5
92.18391	0.7
99.00872	0.8
101.02464	0.6
110.40272	0.5
113.46275	0.5
119.05029	3.5
147.04507	100.0
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	trans-Cinnamate
Peak:m/z	Relative Intensity
57.00615	1.4
57.03207	1.4
57.03450	16.0
57.09661	1.3
59.01385	68.9
59.62798	1.3
63.87818	1.4
66.35196	1.3
71.01371	20.4
71.05017	18.5
72.99306	30.0
73.02935	10.7
73.53595	1.6
75.00872	44.5
83.01376	2.7
83.05015	6.5
85.02944	16.8
85.06572	1.7
87.00838	8.5
87.04507	11.1
89.02431	17.7
99.00872	18.5
101.02441	3.6
101.06069	6.6
101.65749	1.5
103.03960	2.3
115.52518	1.6
119.05046	2.0
129.01920	8.6
147.01974	12.7
147.02994	11.8
147.04517	55.6
147.06619	100.0
155.25510	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	147.0662
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
53.80814	0.5
57.03445	17.4
59.01376	8.4
71.01369	11.8
71.05004	6.1
72.99288	1.0
73.02941	7.0
73.06602	1.0
75.00861	4.4
83.04996	1.2
85.02934	79.7
87.00854	29.2
89.02409	1.3
99.00871	3.5
99.04535	0.7
101.02430	22.8
101.06065	26.8
103.03996	36.0
103.05886	4.3
112.92216	0.6
115.00340	8.6
117.01910	0.7
129.01915	19.8
129.03848	3.0
129.05569	2.3
133.35744	0.6
145.05081	0.6
147.02101	1.0
147.02991	24.8
147.04742	2.6
147.06613	100.0
167.02837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0768
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
59.01354	0.6
62.63678	0.6
68.50048	0.7
70.02962	3.6
72.99300	0.8
90.03441	0.8
92.05036	4.1
92.40900	0.8
100.62305	0.8
102.03498	3.4
104.05067	5.2
119.04991	1.1
120.04544	5.2
120.06680	4.3
121.02872	1.0
121.04068	1.8
130.06595	0.9
132.04539	10.0
133.01675	1.9
148.04031	11.6
148.05141	3.9
148.07683	100.0
164.03464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	beta-D-Ribopyranose
Peak:m/z	Relative Intensity
55.01875	0.5
56.65491	0.4
57.03433	0.6
57.44691	0.4
58.07017	0.5
59.01382	25.0
69.03440	1.2
71.01376	24.8
72.99302	3.1
73.02937	21.0
75.00866	18.0
78.18094	0.5
81.92027	0.4
85.02935	3.3
86.38248	0.5
87.00864	9.3
89.02431	95.9
92.18321	0.7
101.02424	3.4
103.03999	10.1
121.02933	3.6
131.02531	0.7
131.03491	18.3
149.04539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0259
Annotation	Xanthine
Peak:m/z	Relative Intensity
57.16738	0.1
58.08940	0.1
59.01094	0.2
59.01373	3.0
63.96231	9.2
65.99826	0.1
71.01371	4.2
72.99278	0.1
73.02938	0.7
74.79218	0.1
78.98577	49.6
79.95723	1.8
80.96509	0.2
81.03465	0.2
83.01379	0.2
85.02919	0.5
87.00846	0.1
87.04549	0.1
89.02426	3.8
93.03419	0.2
95.01345	0.2
96.98949	0.2
97.02867	0.1
101.02425	3.0
106.47057	0.1
107.04983	0.8
108.02022	33.3
109.02969	0.2
109.04079	0.1
113.02422	0.2
117.43652	0.1
119.03468	0.2
120.66554	0.1
121.02903	0.2
123.04524	1.3
126.03063	2.8
131.03467	0.2
133.01550	0.5
134.01945	0.8
136.01637	30.6
142.13840	0.1
147.51920	0.1
149.02148	0.1
151.00624	3.5
151.02599	100.0
151.03928	6.3
151.05869	2.5
167.95705	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	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
54.62479	0.1
60.31980	0.1
65.31927	0.1
92.02680	0.5
94.15096	0.1
95.01369	0.1
108.02177	1.9
119.62724	0.1
136.01666	100.0
151.04013	11.8
164.21634	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	151.0609
Annotation	L-arabitol
Peak:m/z	Relative Intensity
55.01869	0.7
57.03447	0.8
59.01373	36.6
61.13617	0.3
63.96231	20.3
71.01366	48.6
72.99302	1.5
73.02927	7.1
75.00859	0.4
77.08171	0.3
78.98575	100.0
79.95722	1.6
80.96474	1.3
81.00303	0.3
83.01369	3.5
85.02930	7.0
85.40347	0.3
87.00835	2.9
89.02422	39.9
91.03999	0.5
93.03423	0.5
97.02941	0.6
99.00879	0.4
101.02421	42.6
103.04002	0.5
107.05006	4.6
107.35405	0.3
108.02127	4.1
109.04031	0.5
113.02444	2.6
115.17761	0.3
119.03477	4.0
123.04470	3.7
131.03465	2.7
132.99644	1.4
133.05052	2.0
136.01634	82.9
149.04497	1.5
151.00673	5.0
151.02612	4.7
151.03972	19.9
151.06075	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	151.1128
Annotation	Dehydro-1,8-cineole
Peak:m/z	Relative Intensity
55.01873	0.7
59.01387	2.9
71.01377	3.6
78.98588	0.8
79.83254	0.3
89.02438	3.1
93.03439	0.7
94.99266	0.4
95.05022	0.4
97.06582	3.3
101.02444	3.1
107.05013	3.0
108.02161	2.5
123.00895	0.7
123.04526	1.6
136.01656	100.0
151.00453	0.4
151.04012	16.8
151.05148	0.7
151.05974	2.6
151.07693	0.4
151.11281	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	152.0115
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
56.85415	1.3
61.86154	1.5
66.03504	2.1
72.01689	1.9
76.94453	1.5
78.98594	2.3
80.02681	8.7
108.02168	100.0
108.04630	1.9
110.63485	1.4
137.01990	13.0
152.01158	80.6
152.04440	8.8
162.25073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0352
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
51.14275	0.3
59.01368	0.6
63.06953	0.3
63.53909	0.4
66.03475	2.1
66.14683	0.3
68.37257	0.3
71.01389	0.5
73.30882	0.3
78.03487	0.5
78.98568	1.9
81.04597	0.5
104.01341	0.4
107.03772	3.2
108.02170	1.5
108.04533	0.7
108.05326	0.4
109.04090	0.7
109.64310	0.4
110.03597	0.6
122.02409	0.6
122.03726	17.3
136.01622	2.1
137.01996	10.6
141.92213	0.5
152.03511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
62.98298	0.2
72.85873	0.1
75.37598	0.1
108.02124	0.2
122.03736	19.7
136.01631	0.2
137.02014	1.8
152.03535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0192
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
59.40854	0.1
65.03946	0.3
68.99801	0.2
69.03448	0.2
79.01891	0.1
81.03435	2.3
82.02948	0.3
83.01385	0.4
89.02464	0.3
91.01881	0.3
92.18743	0.3
95.01343	0.2
97.02953	0.2
107.04984	0.3
108.02160	4.3
109.02930	100.0
109.06546	1.6
110.00072	2.8
123.04507	0.3
125.02415	1.0
134.49246	0.1
135.04517	0.3
137.99536	1.8
138.02092	0.2
151.00371	0.3
153.01918	29.6
153.05522	0.9
153.09152	0.2
155.62352	0.1
173.59579	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	153.092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69378	1.5
67.01887	1.5
69.03417	2.0
81.03434	11.7
89.02422	3.5
95.01409	2.6
95.05018	8.3
97.02943	11.6
99.83865	1.4
107.05064	2.3
108.02194	6.6
109.02943	76.3
109.04079	2.6
109.06573	21.8
110.00082	26.8
111.04465	2.9
112.88401	1.4
122.03724	27.5
123.00850	1.4
123.08118	11.5
125.02460	12.9
125.06051	3.4
135.08162	2.5
136.05287	9.4
137.06061	19.1
137.99574	16.6
138.02135	2.0
138.03247	1.7
138.06857	100.0
139.07629	7.1
151.07614	27.1
152.08446	18.4
153.01926	47.7
153.03091	3.2
153.05612	12.3
153.09206	37.4
154.14661	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	153.1284
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
51.40833	0.9
53.04389	0.9
53.94926	0.9
55.41165	0.9
56.12677	0.8
59.01399	0.9
69.03445	1.7
71.05001	1.9
81.03442	2.4
87.16143	1.0
97.06573	22.4
99.08149	5.4
109.02938	5.5
109.06571	6.7
110.00076	9.1
117.31399	0.9
125.02420	5.0
125.06044	1.0
137.09735	1.5
137.99564	8.1
138.02106	1.0
151.11299	2.3
153.01962	12.4
153.03008	3.4
153.05568	4.5
153.09204	2.2
153.12842	100.0
161.42981	1.1
168.21727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0622
Annotation	L-Histidine
Peak:m/z	Relative Intensity
63.26290	0.2
65.00266	0.1
66.03483	0.3
67.03016	3.0
72.00900	5.6
74.02461	0.3
77.34279	0.2
80.03792	4.2
80.04228	0.2
81.04575	6.9
93.04568	39.6
95.02505	0.2
108.05666	6.4
109.04066	3.6
110.07229	13.5
110.29260	0.2
111.92651	0.2
118.04098	1.4
119.91358	0.2
134.03535	0.2
136.04115	0.3
136.05159	7.9
137.03558	35.1
143.49329	0.2
151.03844	0.3
154.06212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59649	1.2
54.58825	1.2
66.00990	1.6
73.98117	1.3
82.02953	1.6
85.00421	19.2
95.05022	6.2
124.04016	1.9
127.02589	47.9
136.04041	1.5
139.03990	100.0
146.37814	1.7
153.86885	7.3
154.03705	6.5
154.05069	6.7
154.06290	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	155.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85894	10.4
52.68398	13.9
54.52127	11.8
57.03429	23.8
58.02978	22.7
59.01378	100.0
83.01384	35.0
83.05032	63.2
84.04530	28.5
85.02928	33.2
96.00898	21.3
98.02451	15.7
111.04504	62.7
111.08163	86.4
113.02398	17.1
154.99828	18.1
155.03516	70.5
155.04602	19.8
155.07121	93.6
155.10785	77.2
155.86580	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	156.0665
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
58.02973	0.3
66.46054	0.2
67.07314	0.2
70.02972	0.2
73.16664	0.2
84.00862	0.2
84.04538	10.7
85.03008	0.2
86.02415	0.2
94.02972	3.8
96.00911	0.5
97.01667	4.7
111.17216	0.2
112.04030	100.0
114.05590	2.9
145.58023	0.2
150.03265	0.2
156.03036	1.1
156.06650	25.1
156.10309	1.0
165.22307	0.2
167.72081	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	157.0504
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
52.82253	0.1
54.14929	0.2
56.67305	0.2
58.21270	0.1
59.01382	1.5
78.57441	0.2
82.52565	0.2
91.03189	0.2
95.05009	0.2
111.08100	0.4
113.06068	100.0
113.09692	1.0
139.07613	0.3
156.89450	1.1
157.05040	11.3
157.08665	6.5
157.12309	7.6
177.95560	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	157.123
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
59.01376	7.4
59.13855	0.6
65.01441	0.8
75.00852	1.3
84.99300	1.0
99.00858	0.9
111.08141	1.2
111.51881	0.7
112.92223	11.7
113.09681	2.9
115.00297	0.7
127.00338	1.0
129.40321	0.7
130.04085	3.2
143.08429	0.7
156.89442	1.0
157.05153	2.9
157.08682	23.0
157.12306	100.0
167.25616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.082
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
58.02971	5.4
59.01388	0.2
59.75395	0.2
62.91399	0.2
67.96914	0.2
72.04548	0.2
76.71335	0.2
86.02454	0.3
112.08473	0.3
114.05643	0.2
114.06429	0.9
114.09229	10.3
114.09971	0.4
116.07156	100.0
118.33723	0.2
125.35580	0.2
130.05872	0.2
131.03606	0.9
132.29080	0.2
140.07150	4.5
140.08174	0.3
158.04646	0.9
158.08157	22.8
158.12605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
68.99796	1.6
70.95410	0.8
71.01362	4.6
73.02931	15.8
75.00869	1.5
77.14444	0.8
77.92244	0.9
79.14330	0.9
79.38639	1.1
85.02941	1.8
87.00854	6.5
94.11082	0.9
97.06580	3.8
99.00858	2.4
99.92567	10.4
101.02425	8.7
102.98862	1.6
111.00864	8.7
111.40356	1.0
113.02418	4.5
113.09738	3.7
114.94915	14.7
115.02478	10.7
116.92047	2.1
116.92836	43.1
117.00428	19.0
129.01907	11.6
130.98358	1.7
158.93883	7.5
159.01477	16.3
159.02977	17.2
159.06664	2.4
159.10255	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	159.0663
Annotation	Pimelic acid
Peak:m/z	Relative Intensity
55.57262	0.2
57.03461	0.2
59.01384	1.2
68.64272	0.2
68.90214	0.2
69.03443	0.6
71.01374	1.0
73.02939	3.4
73.10447	0.2
83.01382	0.6
83.05017	0.2
85.02950	0.5
85.40173	0.2
86.11059	0.2
87.00875	1.2
95.05025	9.4
97.06584	100.0
99.00871	0.4
99.92578	1.1
101.02444	1.6
104.10079	0.2
111.00852	1.4
113.02443	1.1
113.09748	0.5
114.94938	1.5
115.07639	33.0
116.92870	4.3
129.01952	1.9
136.42975	0.3
141.05553	3.4
158.89273	0.3
158.93919	1.0
159.03026	4.3
159.06625	42.2
159.10233	4.4
166.60463	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	159.1027
Annotation	3-Hydroxyoctanoate
Peak:m/z	Relative Intensity
57.03452	0.8
59.01385	100.0
71.01374	1.0
73.02940	4.9
75.00870	0.6
77.68729	0.5
83.01413	0.7
85.02943	1.1
87.00882	2.1
97.06572	2.6
99.00891	1.0
99.92549	3.7
101.02436	3.2
111.00864	3.4
113.02428	1.0
113.09715	5.9
114.94931	4.2
115.07668	0.5
116.92844	13.9
129.01935	4.7
158.89268	0.9
158.93901	2.2
159.03003	9.1
159.06590	1.1
159.08516	2.9
159.10268	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	159.1026
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
54.56958	0.3
57.03439	0.3
59.01361	0.4
73.02937	1.3
87.00859	0.3
92.18966	0.6
99.92567	1.2
105.94835	0.3
111.08079	0.3
113.02480	0.3
113.09715	16.0
114.94902	1.4
116.92842	3.8
123.08203	0.3
129.01907	0.4
138.15352	0.3
141.09209	1.3
147.01706	0.3
157.08713	1.2
158.93939	0.4
159.03026	1.0
159.10258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0243
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
55.01870	0.1
57.03436	0.7
58.00616	0.1
59.01382	3.2
71.01383	1.8
72.99304	0.2
73.02935	3.8
75.00848	0.1
81.03448	0.6
82.54043	0.1
83.01372	0.9
85.02939	4.3
87.00852	0.2
89.02430	1.2
89.03967	0.2
95.01406	0.1
95.04945	0.2
96.17101	0.1
97.02949	0.2
97.37820	0.1
99.04507	0.5
101.02457	1.0
113.02428	0.6
117.03449	1.9
123.04520	1.2
131.03494	3.1
133.02946	6.4
143.03450	0.1
146.43988	0.1
161.02435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0817
Annotation	Oleandrose
Peak:m/z	Relative Intensity
50.92991	0.4
57.03434	3.4
59.01374	31.0
69.03443	1.0
71.01371	20.4
71.05008	20.1
72.99290	2.0
73.02932	40.7
75.00854	1.1
81.03438	4.5
83.01372	7.6
85.02934	38.3
86.53269	0.5
87.00862	2.0
87.04494	10.6
89.02422	10.6
94.92963	0.6
95.01405	1.8
97.02934	3.2
99.00839	0.6
99.04500	71.3
101.02427	5.8
113.02436	5.1
115.03986	25.6
115.07616	8.5
117.05552	46.4
129.01842	0.5
131.03471	22.0
160.89233	0.7
160.91106	5.7
161.02399	2.2
161.04568	15.6
161.08168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0322
Annotation	2-Amino-5-chloro-5-hexenoic acid
Peak:m/z	Relative Intensity
59.59826	1.5
73.81145	1.4
78.79002	1.2
85.91991	1.2
106.02977	9.1
106.04201	2.7
114.49613	1.3
120.02161	2.6
134.02495	8.5
134.03723	22.3
161.02431	6.0
162.01950	14.0
162.03217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0559
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
59.01369	1.6
60.01688	0.5
69.88547	0.3
71.01356	0.5
73.02920	1.5
74.03273	1.6
74.85448	0.3
78.03476	0.5
82.03811	0.3
84.01731	0.4
85.02937	0.6
85.03785	0.3
86.03278	1.5
90.02763	0.4
100.04816	0.6
106.02982	3.8
118.05894	0.6
119.05002	76.7
120.04535	7.6
132.03831	1.2
134.02441	3.4
144.04541	5.6
147.03238	1.3
160.59802	0.3
161.89384	2.9
162.01964	10.4
162.05591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
50.47759	0.3
63.03803	0.2
65.98256	0.2
73.22929	0.3
93.03455	1.4
116.20291	0.3
119.05009	100.0
123.01695	0.3
128.07846	0.3
135.04500	0.7
162.89357	2.1
163.00334	0.6
163.03998	14.2
163.06171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.17159	0.1
91.42421	0.1
92.18507	0.2
93.03466	0.6
93.05051	0.1
119.05022	100.0
156.49348	0.1
163.04015	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	163.04
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
54.39232	0.1
55.44695	0.1
60.49396	0.1
61.64382	0.1
62.66469	0.1
65.42402	0.1
69.39040	0.1
75.08508	0.1
81.35062	0.1
91.05520	0.4
91.18479	0.1
93.03447	0.5
103.68024	0.1
115.12305	0.1
117.03452	1.1
119.05009	100.0
138.25131	0.1
158.06717	0.1
162.86073	0.1
163.03993	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	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01445	8.4
66.00978	4.6
82.03664	2.6
82.04105	42.6
95.06149	10.5
96.39762	2.1
97.04080	4.1
106.31281	2.0
116.37766	2.3
118.99291	4.0
119.02519	2.1
119.05015	48.5
120.04396	3.2
120.05696	12.8
121.04088	23.9
121.05192	100.0
136.05127	23.7
146.03583	11.2
153.83797	1.8
163.04028	8.5
163.06244	32.1
163.11272	44.5
183.47578	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	164.0352
Annotation	N-formylanthranilic acid
Peak:m/z	Relative Intensity
54.70715	0.2
63.02092	0.3
64.12822	0.3
65.99836	0.3
66.00966	0.4
91.34086	0.3
92.05040	32.1
92.40392	0.3
92.47967	0.3
93.03449	0.5
94.03819	0.3
99.36568	0.3
116.12420	0.4
118.02986	1.6
119.05018	3.1
119.13828	0.3
119.95140	1.7
120.04543	100.0
120.05358	23.5
121.02950	0.7
136.04024	15.3
147.04485	0.6
149.01170	1.7
164.03378	12.5
164.04703	1.1
164.07166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0715
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.57472	0.4
68.87395	0.4
72.00900	29.3
72.01303	1.1
75.80937	0.4
91.05516	4.4
101.66699	0.5
103.05520	2.1
117.78729	0.5
147.04501	100.0
164.07158	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0191
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
77.03970	0.4
93.03429	0.4
93.37154	0.2
99.74915	0.3
121.02933	100.0
135.04503	0.6
150.03204	1.2
165.00612	0.5
165.01903	10.2
176.59737	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	165.0192
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
71.88675	0.2
75.00935	0.2
77.03951	0.2
93.03445	4.7
96.27665	0.2
108.02153	0.4
109.02946	0.2
114.07623	0.2
116.40582	0.2
120.02204	0.2
121.02934	100.0
122.03651	0.3
123.04506	0.3
135.04506	5.0
137.02390	0.9
137.51199	0.2
139.03969	0.2
150.03194	7.3
154.59529	0.2
163.03891	0.2
164.89532	1.1
165.01906	24.1
165.05513	2.8
165.09137	0.8
174.57956	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	165.0194
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
54.88832	0.1
59.01384	0.2
65.03989	0.1
66.21986	0.2
68.99794	0.2
71.45251	0.1
75.00872	0.7
77.03961	3.6
81.03458	0.9
87.00873	0.2
92.18446	0.3
93.03452	7.2
100.30790	0.2
106.04302	0.2
108.02185	2.2
109.02937	3.9
121.02951	100.0
121.06595	1.1
122.03739	0.2
128.48026	0.2
131.42613	0.2
135.04520	0.9
136.01678	1.3
137.02448	7.9
150.03223	6.1
150.04387	0.3
157.46245	0.2
164.89540	0.3
165.01939	14.8
165.04054	0.6
165.05437	1.7
165.09189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
56.00378	0.4
57.03453	3.1
59.01386	10.9
59.56702	0.4
71.01376	5.2
72.99299	4.7
73.02949	1.1
75.00871	100.0
81.54225	0.5
85.02948	4.0
87.00872	34.8
89.02446	4.0
99.00877	13.7
101.02439	3.8
105.01933	23.4
117.01929	2.1
119.03515	0.8
129.01942	14.6
147.03009	11.7
165.04044	97.8
172.94978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34942	0.2
54.35226	0.2
54.66082	0.2
59.01369	1.1
60.52018	0.2
62.17827	0.4
71.01358	0.3
75.00858	2.6
79.95720	0.5
87.00880	0.5
89.02421	0.3
89.85810	0.2
91.01895	0.3
91.03984	0.5
92.05019	0.3
93.03439	6.7
93.23953	0.2
105.01939	0.5
109.02910	0.3
117.78345	0.3
117.79192	0.2
121.02937	8.4
121.06561	0.3
122.03714	17.7
123.04518	0.3
124.01637	0.4
133.02913	0.3
134.03723	0.5
135.04517	1.3
136.01633	1.2
137.02440	1.1
138.05560	0.5
147.02989	0.4
149.01370	0.2
149.02431	2.5
150.03201	100.0
151.56882	0.3
163.05066	0.5
164.89507	0.3
165.01878	2.5
165.04044	3.2
165.05547	9.6
165.06610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33694	0.1
73.84209	0.1
79.06630	0.1
92.02677	0.4
93.03439	6.4
108.02175	1.0
109.02981	0.1
120.02148	0.4
121.02942	8.5
135.04512	100.0
137.02444	0.2
150.03215	1.4
150.74103	0.1
165.01935	1.2
165.05547	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	165.0555
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
58.94170	0.2
61.82602	0.1
64.74917	0.1
77.44295	0.1
85.75156	0.2
93.03452	1.7
111.12122	0.2
121.02940	8.7
121.06598	0.3
122.03727	3.6
123.04489	0.1
135.04498	1.1
137.02405	0.2
137.06255	0.1
149.02402	0.1
150.03209	100.0
164.89517	0.3
165.01900	1.8
165.05545	16.7
165.09193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0271
Annotation	isovanillate
Peak:m/z	Relative Intensity
60.37821	0.4
63.69973	0.7
64.09642	0.5
67.01894	0.9
95.01389	2.0
108.04601	0.5
109.04055	0.6
122.00883	0.5
123.00867	24.4
136.04878	1.0
137.02443	0.8
138.01926	0.7
151.00356	100.0
165.01923	2.2
166.01440	2.0
166.02689	10.5
166.05051	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	167.0347
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
53.74006	0.3
65.00298	0.3
80.02626	0.3
80.19407	0.3
85.14964	0.3
85.42663	0.3
91.01884	5.0
99.15901	0.4
108.02155	38.3
123.04501	28.8
151.23178	0.3
152.01132	100.0
154.17415	0.4
167.03479	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	168.0302
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
77.20514	0.2
84.89246	0.1
95.01372	1.1
97.02961	0.2
107.47211	0.2
108.56206	0.2
109.02522	0.2
118.78853	0.2
120.03205	0.2
123.00874	8.0
123.01711	0.3
152.01164	0.3
153.00670	100.0
168.02989	21.6
168.08949	0.2
168.10297	2.2
168.83618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72989	1.0
58.02978	100.0
66.69769	0.9
67.58780	0.9
80.76523	0.8
90.65638	1.1
92.66827	1.0
105.48203	1.1
153.00572	19.5
153.01733	1.5
168.02983	2.3
168.10306	7.9
168.13875	15.3
168.83669	2.5
187.72731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0871
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
55.01885	4.6
58.98893	0.3
59.01380	0.5
65.24780	0.3
69.03459	3.3
70.33057	0.3
71.05022	23.2
71.07919	0.3
74.50330	0.3
80.02688	0.4
81.03468	0.7
83.05028	5.3
95.05016	0.7
95.47303	0.3
96.66177	0.3
97.06595	1.9
104.92317	0.3
110.44341	0.4
123.08150	8.0
124.56824	0.3
125.09718	100.0
141.09247	0.5
153.50993	0.3
168.83653	0.7
169.01466	0.4
169.07263	0.5
169.08716	13.0
188.94975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1232
Annotation	6-endo-Hydroxycineole
Peak:m/z	Relative Intensity
59.01353	0.7
59.52101	0.7
60.58951	0.7
68.37942	0.9
80.17786	0.7
80.50774	0.9
81.57387	0.8
83.05016	13.8
85.06557	3.6
99.08120	0.9
101.06064	41.0
113.09688	0.9
125.09696	2.1
133.92877	1.0
138.20758	0.7
140.08424	10.9
141.12881	9.1
153.00636	2.1
154.01012	18.0
169.03362	4.4
169.12314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0978
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
50.78017	0.2
54.59570	0.2
58.02970	1.7
58.22271	0.2
64.52197	0.2
73.39165	0.2
74.73530	0.2
92.50249	0.3
116.56164	0.3
128.08015	0.3
128.10788	7.2
128.11656	0.5
130.08714	100.0
144.04553	1.7
150.65311	0.3
171.87477	3.1
172.04005	2.4
172.09641	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	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
56.38517	0.2
57.03442	1.6
58.43854	0.2
59.01377	0.3
67.01880	3.0
70.51118	0.3
72.12117	0.3
72.99273	0.5
73.02934	0.3
83.01385	0.5
85.02940	100.0
93.03457	0.5
93.41171	0.3
95.22526	0.2
96.99288	0.4
99.00858	1.0
99.04519	1.0
101.02437	1.2
111.00867	57.7
111.04498	2.0
112.98790	0.5
115.73872	0.2
129.01926	19.5
129.05569	2.1
154.99875	2.0
156.31337	0.3
173.00984	3.3
173.04521	1.6
173.08202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0452
Annotation	Shikimate
Peak:m/z	Relative Intensity
57.03439	4.1
57.32508	0.4
59.01373	14.8
67.01879	3.0
67.03785	0.4
67.05518	7.3
69.03444	1.1
71.01364	2.4
71.05003	0.9
72.99289	6.9
73.02932	7.1
75.00865	0.4
83.01370	0.9
83.05003	5.2
85.02932	100.0
85.06567	26.3
87.00854	8.9
93.03437	6.3
97.02934	1.0
99.00848	3.6
99.04498	8.7
101.02414	3.1
101.06078	0.5
111.00858	75.7
111.04494	56.3
111.05305	0.8
111.08130	0.6
112.98783	0.7
113.02438	5.3
119.35287	0.5
125.02370	0.8
127.03996	0.8
129.01921	19.2
129.05553	34.7
131.08237	0.9
137.02446	0.8
142.99860	1.1
143.03473	4.0
154.99863	4.7
155.03477	24.4
173.00937	6.5
173.04524	37.8
173.08145	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	173.0816
Annotation	Suberic acid
Peak:m/z	Relative Intensity
51.27869	0.3
52.59826	0.3
54.77036	0.4
57.03445	2.5
59.01369	3.1
70.74656	0.3
77.47266	0.4
78.36280	0.3
83.05016	7.0
85.06562	0.4
91.74610	0.3
93.46909	0.3
103.16102	0.4
104.77115	0.4
108.27444	0.4
109.06566	1.8
111.08136	100.0
113.06057	0.6
129.09193	4.4
131.07101	4.1
146.45842	0.4
147.11215	0.4
155.07208	0.5
171.72705	0.5
173.08165	42.6
184.34326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1183
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
57.85487	0.2
59.01353	0.2
77.73218	0.2
86.68716	0.2
93.63000	0.2
106.39382	0.2
111.08157	1.8
125.09689	0.2
127.11285	7.4
129.09218	0.3
141.05571	0.2
155.10786	1.7
171.10278	0.7
173.11827	100.0
173.63162	0.2
178.78592	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	173.1181
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
50.02233	0.4
50.33024	0.5
53.53545	0.4
57.03446	0.8
57.89629	0.5
58.67550	0.4
59.01374	2.7
62.44933	0.4
65.01452	0.5
67.95970	0.4
73.02913	0.7
75.00866	2.2
83.05005	2.5
85.06610	0.6
92.18980	0.9
97.02903	0.5
97.06578	0.6
99.00886	0.7
99.08131	0.7
103.96882	0.5
109.06555	0.6
109.28107	0.5
109.68963	0.6
111.08142	29.2
115.00328	3.6
122.46225	0.5
125.09682	1.1
127.11275	100.0
128.91768	0.9
129.09196	2.3
154.94763	4.8
155.07146	2.1
155.10738	2.5
171.10255	1.8
172.83102	1.0
173.04626	0.8
173.08194	19.2
173.11815	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	174.0771
Annotation	Calystegine B1
Peak:m/z	Relative Intensity
50.51891	1.3
57.03438	9.1
57.83486	1.1
58.02976	100.0
59.01382	31.4
71.05017	2.2
72.04550	15.4
72.93546	1.4
74.02483	1.8
80.79234	1.5
84.04559	2.5
85.02927	2.8
86.02479	2.2
86.03255	2.8
86.06107	8.6
86.06912	3.2
87.04482	2.4
88.04026	9.0
94.02990	1.9
98.02438	1.9
98.06126	1.7
100.04041	7.2
101.02417	1.6
102.05594	6.1
107.07792	1.4
107.47334	1.8
107.70708	1.3
111.04510	2.0
112.01180	3.2
112.04031	9.3
112.04823	6.8
112.07670	10.9
112.08417	2.8
114.05602	6.5
128.07175	44.0
129.05595	2.8
130.05075	11.1
130.05916	6.7
130.08720	18.6
132.06622	14.4
144.06659	2.8
146.02504	2.5
156.03862	2.2
156.06642	41.4
158.62801	1.6
172.06145	3.0
174.01878	3.6
174.05408	2.4
174.06219	2.1
174.07603	35.2
174.11348	9.7
174.58893	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	175.0398
Annotation	6-Hydroxy-4-methylcoumarin, 6-Hydroxy-4-methyl-2-benzopyrone
Peak:m/z	Relative Intensity
52.46172	0.2
59.01365	0.5
72.99280	0.3
75.00854	1.0
75.37331	0.2
78.47324	0.2
86.22934	0.2
87.00881	0.3
113.06049	0.4
119.04977	0.3
129.05621	0.3
131.05034	2.7
131.07143	0.3
132.02214	0.3
133.02925	2.4
147.04491	1.8
157.08691	1.6
160.01642	7.3
175.03978	100.0
175.09769	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	175.061
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
52.86707	0.5
54.12842	0.6
57.03442	2.3
59.01378	82.0
60.26643	0.5
68.99810	3.3
69.03441	9.8
71.01373	5.2
71.05006	10.8
71.91042	0.6
72.99279	2.6
73.02945	4.5
75.00849	1.3
78.95908	0.6
79.95720	0.7
80.71282	0.7
80.96511	0.8
83.01373	1.1
83.05017	1.5
84.02140	1.0
85.02949	8.9
85.06579	35.5
87.00867	21.0
87.04504	8.9
87.08141	1.4
89.03551	1.3
95.05041	4.9
97.02948	0.8
99.00871	1.5
101.02422	2.7
101.06036	0.7
103.00363	1.4
111.04488	4.8
113.02457	5.4
113.06069	43.1
115.03986	14.2
117.01899	0.8
127.53855	0.6
129.05577	9.3
131.03487	6.8
131.07123	100.0
133.05057	5.3
136.91925	0.5
157.01424	17.2
157.05032	28.3
174.98891	1.4
175.02716	6.7
175.06107	99.5
176.03619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0976
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
57.03482	0.5
59.01369	2.2
61.38680	0.4
71.01381	0.7
72.98888	0.8
72.99305	44.8
75.00871	55.8
87.00874	1.2
93.14820	0.5
99.95757	0.5
113.09694	0.5
115.00355	0.9
119.03700	0.5
129.09215	9.2
130.04224	2.3
131.05034	10.1
138.64406	0.5
147.04468	0.7
148.05124	0.7
157.08682	0.6
160.01654	0.7
175.02596	1.5
175.03999	5.2
175.09758	100.0
188.64848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0352
Annotation	Isalexin
Peak:m/z	Relative Intensity
54.71733	0.3
60.82165	0.2
64.15324	0.2
64.46616	0.3
68.49002	0.3
69.56946	0.3
70.33125	0.2
78.03475	0.3
92.18557	0.4
104.05075	0.6
106.02979	2.5
131.03769	1.1
132.04555	8.7
132.86931	0.3
134.02473	43.5
148.04044	4.0
160.01544	0.4
175.02740	1.1
176.03523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37939	0.1
54.58400	0.1
56.64759	0.1
59.01374	0.2
66.53001	0.1
69.99213	0.1
74.94910	0.1
81.03437	0.3
81.43386	0.1
89.03954	0.3
93.03442	0.8
104.90876	0.1
105.03471	1.6
107.01379	0.2
121.02922	1.3
133.02939	2.0
139.04024	0.9
149.02437	2.8
151.00311	0.3
162.03214	1.6
177.01924	100.0
178.38237	0.2
180.52811	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63979	0.2
54.21127	0.2
57.03460	0.2
58.18893	0.2
59.01385	4.1
68.99783	0.2
71.01384	1.2
75.00851	0.3
81.03453	0.9
85.02906	0.3
87.00871	0.5
89.02420	0.8
89.03961	2.2
93.03423	0.3
99.00874	1.3
105.03460	5.7
116.99552	0.2
117.01919	0.3
121.02941	0.8
129.01910	1.1
133.02953	18.3
139.04004	0.2
149.02432	1.9
162.03206	5.5
176.84341	12.1
177.01932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.5
63.02402	2.9
65.00317	1.0
65.66833	0.4
68.99789	0.6
71.01369	2.1
75.00854	0.7
75.52625	0.4
77.03992	0.6
83.01359	0.7
85.02970	0.6
85.15188	0.4
89.02451	1.0
89.03962	8.8
91.01891	2.9
92.18367	0.5
95.05012	2.0
99.00877	1.8
105.03454	5.9
107.01369	4.3
109.02932	2.8
113.96822	0.4
117.79339	0.4
121.02951	1.0
123.04533	2.5
129.01936	2.5
132.02199	0.9
133.02956	41.5
133.06577	4.4
134.95955	0.5
135.00883	32.4
142.58820	0.5
145.02982	0.5
149.02451	2.9
151.00362	8.6
153.01955	0.7
159.00853	0.8
162.03233	22.3
176.01222	0.7
177.01933	100.0
177.05354	6.7
184.12993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0557
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
57.18784	0.1
75.49326	0.1
76.15044	0.2
97.16219	0.2
106.04248	0.3
133.02959	0.3
134.03780	2.1
161.02415	0.8
162.03229	100.0
177.05580	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	177.0555
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
54.14460	0.2
62.24459	0.2
62.36723	0.2
77.61039	0.2
93.03431	0.3
105.03438	0.4
117.03442	13.7
118.04224	17.7
121.02930	9.6
123.04498	3.3
131.18225	0.2
133.02878	1.5
134.03714	0.5
145.02933	34.5
162.03207	9.8
177.05547	100.0
191.50125	0.2
194.10095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0556
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.61405	0.2
59.01376	0.6
69.91488	0.3
72.25302	0.3
90.73748	0.3
117.03451	100.0
119.05011	29.1
125.48450	0.3
130.46092	0.3
133.06561	0.5
145.02943	63.4
147.04495	0.7
161.02438	1.9
162.03214	3.1
163.03996	1.8
163.45624	0.3
163.47041	0.3
176.84340	5.0
176.99854	0.3
177.05557	16.4
189.01904	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	178.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81183	0.4
53.11018	0.4
60.01699	0.5
63.96225	0.6
79.95724	31.0
86.49355	0.5
95.01362	0.8
95.04907	0.5
103.92001	2.7
106.04234	0.5
109.02948	0.6
121.02903	1.0
122.03714	15.8
123.04018	1.1
130.24553	0.5
133.02957	2.1
134.03282	1.2
136.01143	0.6
158.97571	2.3
163.03572	1.0
170.00409	21.8
171.00793	2.1
172.99062	1.8
178.00153	100.0
178.02344	5.6
178.05013	2.1
178.50310	19.2
185.99901	35.2
187.00208	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	178.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87643	0.4
71.06969	0.4
71.99115	2.1
72.29942	0.5
73.01166	0.6
74.00685	38.6
77.25457	0.4
79.95293	0.5
79.95730	2.6
84.04537	2.3
86.16357	0.4
89.00631	0.5
94.34821	0.5
98.00683	1.7
103.91982	0.8
116.01739	100.0
128.03522	3.4
163.03548	0.9
170.00462	0.5
178.00169	7.6
178.02260	28.5
178.50290	1.1
185.99876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04155	1.2
59.01377	1.4
74.00671	12.4
92.05035	19.9
93.03455	1.8
103.92025	5.6
106.04230	5.5
109.83235	1.2
111.00896	1.5
116.01747	36.0
121.02974	2.8
133.02940	29.4
133.47517	1.2
134.03737	100.0
134.06062	17.7
136.04008	7.8
137.02437	29.4
139.03999	7.7
150.03145	1.3
162.03131	1.2
163.03590	9.9
174.92616	1.2
177.99751	2.9
178.02682	17.3
178.04958	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	179.0349
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
59.01379	32.2
59.41963	0.5
65.74259	0.5
67.92289	0.5
71.01373	16.8
72.99306	0.5
85.02930	1.0
87.00856	3.3
89.02438	13.3
91.01892	0.5
92.02663	5.3
93.03395	0.6
95.01378	5.4
96.96938	1.1
97.02947	0.6
99.00879	0.9
101.02420	3.8
107.05046	0.8
108.02161	39.9
109.02900	0.8
113.02434	2.2
116.63680	0.5
117.01998	0.8
118.99292	1.3
119.01357	2.0
119.03522	0.8
120.02165	7.3
121.02938	3.6
122.89967	0.5
125.02450	0.6
135.04529	4.9
135.08142	1.1
136.01642	21.3
141.82738	0.6
146.03738	0.9
151.03979	11.8
161.04536	1.2
161.05946	0.7
163.10466	0.6
163.43098	0.6
164.01161	11.0
164.04774	2.4
178.84248	2.8
179.03487	100.0
179.07010	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	179.0349
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
55.95613	0.3
57.93062	0.3
59.01379	61.8
61.69029	0.3
71.01375	12.6
76.81184	0.4
80.23709	0.4
85.02947	0.6
87.00871	0.4
89.02432	10.9
91.01934	0.4
91.05511	0.7
93.03434	0.5
96.95951	0.6
96.96950	2.0
101.02428	2.6
102.85912	0.4
107.05017	24.9
108.02153	0.7
109.02939	2.5
113.02432	2.3
118.99288	12.0
121.02929	3.6
133.02956	0.8
134.03700	2.5
135.04515	100.0
135.08167	2.0
136.01646	5.1
146.03767	0.7
149.02412	0.4
151.00410	0.4
151.03976	2.6
161.04546	0.7
164.01141	12.7
164.04857	0.8
178.90329	0.4
178.99922	1.0
179.01457	8.9
179.03491	45.2
179.05464	1.7
179.07127	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	179.035
Annotation	Aspirin
Peak:m/z	Relative Intensity
55.27909	0.5
57.74725	0.4
59.01379	40.2
71.01376	15.3
76.59128	0.4
83.01376	0.6
85.02955	1.9
87.00875	0.9
87.80460	0.5
89.02429	12.1
91.05520	34.1
93.03447	0.6
95.01363	0.8
96.95943	0.5
101.02422	2.6
107.04968	0.8
108.02164	0.7
109.02949	1.0
111.66565	0.4
113.02438	2.5
118.99290	5.5
121.02972	0.8
132.07019	0.5
135.04514	100.0
136.01665	1.0
146.03642	0.5
151.04005	1.9
161.04546	1.0
164.01138	13.8
164.04796	0.9
178.84184	42.6
179.01399	2.0
179.03485	16.0
179.05623	1.0
179.06985	0.9
179.10693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	alpha-D-Glucose
Peak:m/z	Relative Intensity
50.41714	0.6
52.91165	0.7
58.00582	1.2
59.01380	100.0
70.08858	0.7
70.19465	0.7
71.01374	53.8
72.99294	4.6
73.02922	4.0
75.00479	1.4
75.00866	23.4
76.98669	0.6
80.96522	3.1
81.03448	1.0
85.02949	12.1
87.00867	11.1
89.02434	54.3
90.98582	1.6
95.01391	1.5
97.02958	1.1
99.00853	4.8
101.02426	12.1
113.02443	12.3
117.01894	1.7
119.03497	4.5
125.02393	1.1
135.04520	1.1
143.03462	3.5
159.02989	1.1
161.04546	13.6
164.01167	3.2
173.23015	0.8
177.04115	0.8
179.00192	1.4
179.02182	1.0
179.03883	2.3
179.05608	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	180.0666
Annotation	Tyrosine
Peak:m/z	Relative Intensity
57.65979	0.7
61.69231	0.6
72.00902	26.0
74.02464	3.3
88.22016	0.7
93.03446	20.2
93.91289	0.7
96.46035	0.7
106.04201	4.4
107.05025	3.0
109.99477	0.8
110.84126	0.7
119.05007	71.0
123.92220	0.8
134.06145	1.0
136.04056	1.0
136.07657	3.0
163.01950	1.2
163.03998	86.1
180.06651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0141
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
55.60961	0.3
59.01104	0.7
59.01375	11.9
62.36592	0.3
71.01367	4.8
72.99294	0.4
73.02919	0.7
81.03436	0.4
83.02495	1.7
85.02926	0.6
89.02414	4.1
89.56387	0.4
90.77496	0.4
92.97691	8.3
93.03434	100.0
93.20200	0.4
97.02908	0.4
101.02448	4.5
105.03437	0.6
108.02090	0.4
109.02920	2.4
119.03447	0.7
120.98856	1.8
121.02902	0.6
121.06502	0.4
122.03708	1.8
123.04468	1.4
136.96678	4.7
137.02422	36.5
137.06047	7.1
137.09702	1.4
151.00340	7.5
151.03947	0.4
163.03967	0.5
163.06172	0.5
163.07576	0.4
166.02682	29.9
180.83955	49.1
180.92140	0.3
181.01418	32.7
181.05043	9.6
181.07141	4.6
181.08656	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	181.0142
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
55.36592	0.3
59.01376	25.6
68.21709	0.3
69.93463	0.3
71.01377	2.6
71.01730	0.3
71.67285	0.3
73.02937	0.6
75.74238	0.3
81.03455	0.6
83.01356	0.5
85.02952	0.4
89.02429	2.9
93.03440	75.4
95.05018	2.0
97.02915	0.5
100.11742	0.3
101.02453	2.8
107.05018	1.8
108.02170	0.6
109.02945	1.6
109.06573	22.0
115.25827	0.4
118.11863	0.4
119.03475	0.7
120.98849	19.3
123.04507	1.4
124.05320	0.3
135.04561	0.5
136.01587	0.5
137.02437	28.7
137.06076	2.0
137.09706	100.0
139.03941	0.4
151.00336	9.1
151.03993	0.7
153.05493	0.5
153.09187	0.6
156.33376	0.4
163.03963	0.5
163.06136	0.5
166.01555	0.4
166.02702	26.2
181.01392	37.2
181.05031	6.6
181.07187	4.0
181.08667	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	2,6-Dimethoxy-benzoic acid
Peak:m/z	Relative Intensity
59.01383	0.5
63.76944	0.2
65.00326	0.5
68.78603	0.2
71.01395	0.6
89.02438	0.9
94.36440	0.2
95.01382	0.4
97.02964	0.5
101.02441	1.1
124.01662	1.5
138.03230	7.9
139.04016	4.9
151.00403	2.1
165.01918	2.6
166.02716	100.0
181.05077	88.9
198.01656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Methyl orsellinate
Peak:m/z	Relative Intensity
50.16975	0.3
50.96073	0.3
53.75468	0.3
57.72832	0.3
59.01381	8.3
61.99278	0.3
63.33819	0.3
71.01381	0.7
72.99310	0.8
75.00877	0.7
77.03963	0.3
84.15090	0.4
89.02451	0.8
93.03428	3.4
95.05029	2.7
105.03480	0.9
107.05048	0.9
109.02948	0.7
118.44356	0.4
119.05022	2.3
120.98859	6.2
121.02938	4.8
123.04509	83.1
133.02946	100.0
135.04526	3.4
137.02451	1.6
149.02431	0.6
151.00377	1.9
151.03999	97.3
163.04008	3.6
166.02716	7.1
181.01068	3.9
181.05060	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	181.0506
Annotation	(-)-Palasonin
Peak:m/z	Relative Intensity
54.83254	0.1
55.01876	0.2
57.83429	0.1
59.01382	1.1
66.49527	0.1
68.75066	0.1
71.01379	0.6
73.02953	0.2
81.03439	0.2
89.02430	1.0
92.54498	0.2
93.03443	18.7
95.05000	0.7
101.02451	0.7
108.02176	0.7
109.02948	0.2
109.05826	0.4
109.06576	10.3
121.02934	0.7
121.06605	0.2
122.03732	3.0
123.00858	1.0
123.04507	0.8
124.01630	0.2
135.04501	0.2
136.01640	1.4
137.01433	0.3
137.02431	6.3
137.06100	2.9
137.09711	39.3
139.07573	0.2
148.01663	1.4
148.33173	0.2
149.02417	1.5
151.00351	1.7
151.03972	0.2
151.67831	0.2
153.05556	0.9
163.03986	0.4
166.02698	100.0
167.96587	0.2
181.01472	8.4
181.05057	29.1
181.06998	0.9
181.08650	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	181.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77473	0.2
59.01363	0.4
60.02978	0.2
66.64827	0.3
66.93372	0.2
67.01875	0.4
81.63222	0.3
89.02439	0.5
93.03429	0.5
96.96003	0.6
108.68668	0.2
109.02908	0.3
118.38364	0.3
123.00853	2.8
137.02391	0.4
151.00356	45.6
153.03101	0.3
160.24742	0.3
160.72310	0.2
165.01939	1.2
166.02701	100.0
178.33644	0.3
181.05072	17.4
181.06953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0716
Annotation	L-Iditol
Peak:m/z	Relative Intensity
55.01862	1.5
57.03446	1.1
59.01376	55.2
60.92085	0.8
66.88749	0.7
69.03396	0.8
71.01373	62.8
73.02939	14.3
75.56416	0.7
83.01356	5.6
83.86525	0.8
85.02934	19.5
86.26211	1.0
87.00849	1.8
89.02428	80.9
96.96946	1.4
97.02928	4.0
101.02426	79.5
113.02426	8.4
115.03987	3.2
119.03487	17.2
131.03456	6.5
138.09605	1.1
138.73195	1.0
149.04503	1.9
163.06097	19.3
164.44495	1.0
181.07169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
71.01379	1.6
73.02959	0.4
76.36201	0.3
83.02504	0.5
85.02978	0.3
89.02443	2.0
92.97681	2.7
93.03436	49.3
95.04996	2.4
97.02951	0.5
101.02431	1.8
107.05053	0.6
109.02991	0.4
109.06572	22.6
120.98938	0.4
121.02881	0.4
121.06566	0.7
123.04492	1.6
135.08136	0.3
136.96684	1.3
137.01411	0.6
137.02443	18.2
137.06093	1.4
137.09702	100.0
139.07605	0.3
151.00351	4.0
151.04013	0.3
163.06087	0.5
166.02693	14.6
180.83957	14.7
181.01422	23.2
181.05048	4.8
181.07156	2.6
181.08662	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	181.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58419	0.3
56.12529	0.3
59.01377	2.5
61.14248	0.3
65.24641	0.3
66.03493	0.3
71.01387	2.3
73.02956	0.4
83.77535	0.3
85.02943	0.5
89.02436	2.6
93.03442	72.9
95.05017	1.9
101.02439	2.2
107.05030	0.4
108.02187	0.4
109.02940	0.6
109.06576	23.5
119.01334	0.3
121.02919	0.6
121.06575	0.5
122.03750	1.2
123.00894	0.4
123.04508	0.7
135.08087	0.4
136.01605	0.4
137.02446	14.6
137.06126	2.2
137.09711	100.0
138.03252	0.4
148.01721	0.7
149.02400	0.5
149.65352	0.3
151.00372	4.0
151.03976	0.4
153.09258	0.4
161.51160	0.3
163.03955	0.5
163.06119	0.6
166.02698	57.8
170.08742	0.3
175.77118	0.3
181.01422	27.2
181.05057	15.8
181.07138	3.0
181.08675	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	182.046
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
54.37864	0.1
55.74074	0.1
60.35888	0.2
60.86278	0.1
69.74803	0.1
92.05054	1.6
94.02972	1.0
108.04546	28.8
110.02483	0.2
110.06100	0.7
114.50731	0.1
120.04531	2.2
122.02457	0.2
123.03234	0.3
136.04007	0.6
138.05602	100.0
142.66727	0.2
152.03447	0.2
167.54387	0.2
168.60278	0.2
182.04593	29.5
203.20691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0049
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
57.03461	0.3
59.01395	0.3
65.41788	0.2
67.01888	0.5
69.03465	1.0
70.01175	0.2
79.01881	0.3
83.01382	0.3
85.06573	0.2
95.01389	3.0
97.06569	0.4
109.01741	0.4
111.08163	0.3
112.98567	0.4
123.00881	12.0
123.08210	0.3
137.01204	1.8
137.09750	1.1
139.00336	0.3
139.07672	0.5
139.11311	4.7
153.00688	14.5
155.10777	0.5
167.99313	0.5
168.00636	0.6
183.00479	100.0
183.10266	13.9
183.13875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.01
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00315	2.6
57.48812	2.6
59.01384	4.9
94.64848	3.4
116.33967	3.2
140.02022	45.4
141.99951	15.8
175.01845	3.6
184.00996	100.0
194.73758	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	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01379	48.6
63.39713	0.6
64.89844	0.5
69.03452	0.8
71.01373	12.7
73.06596	0.5
84.04519	4.3
94.02951	1.3
97.01675	2.3
98.02466	0.9
98.05946	0.5
110.02428	2.4
111.03249	0.6
112.04031	98.0
113.02476	1.1
113.06039	0.9
122.06096	8.2
124.04023	73.7
128.89063	0.5
140.07164	40.9
141.05489	0.7
143.33434	0.6
144.79295	0.7
159.69556	0.7
166.05052	7.0
184.06142	100.0
195.35077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30268	0.2
78.95910	37.8
90.52713	0.3
110.98535	100.0
152.99597	6.0
185.02226	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35092	0.3
57.03445	2.7
58.02967	1.4
59.01385	0.3
68.89744	0.3
71.05005	0.7
72.04537	24.6
75.79870	0.3
78.95897	1.3
82.02970	0.7
83.01376	2.3
84.04543	1.8
85.02912	0.4
85.06622	0.4
86.02436	0.3
86.35375	0.3
96.04571	0.5
97.06584	0.3
98.02479	0.6
98.06105	4.2
98.06693	0.4
99.04543	0.4
100.04027	11.0
101.06052	0.4
110.06080	0.6
110.98521	2.1
111.98846	0.5
112.02201	0.5
112.04073	0.4
112.04833	0.4
112.07659	1.7
114.05605	2.3
114.09225	100.0
123.71221	0.3
124.04029	3.2
124.07637	2.2
124.08514	0.3
124.11287	0.5
138.05588	1.9
140.07164	22.3
142.03351	0.4
142.05058	3.6
142.08717	52.1
168.06641	1.1
183.91681	0.3
186.02516	2.0
186.07697	49.6
186.11298	1.9
208.69870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
58.02976	2.7
71.01373	0.4
71.05045	0.7
71.27966	0.4
71.59294	0.4
72.04549	26.1
78.95914	2.0
81.03522	0.4
82.02966	0.7
83.01375	1.4
84.04558	2.1
85.06566	0.5
86.02470	0.6
90.01541	0.5
96.80009	0.4
98.02490	1.0
98.06102	3.7
99.04531	0.6
100.04045	15.4
100.07747	0.5
100.90674	0.4
101.06087	0.7
101.53172	0.5
107.30619	0.4
110.98537	3.6
111.98877	1.6
112.07675	1.7
113.02458	0.4
114.00227	0.4
114.01918	0.4
114.05647	3.6
114.09244	100.0
124.04053	4.1
124.07671	0.9
124.11314	0.4
126.01969	0.5
128.44087	0.4
130.02972	0.4
138.05629	1.0
140.07178	20.7
142.01526	0.5
142.05087	5.4
142.08736	48.9
144.06638	0.6
168.02924	0.4
168.06674	0.5
186.02544	1.6
186.04115	1.0
186.07727	51.0
186.11322	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	187.0401
Annotation	Plumbagin
Peak:m/z	Relative Intensity
54.70206	0.6
59.01374	4.0
67.26289	0.6
75.49875	0.8
78.62983	0.6
88.62455	0.7
97.06563	2.9
99.00858	0.8
111.08144	0.8
115.13277	0.7
123.08153	1.3
125.09705	30.7
130.04228	6.3
131.05022	17.9
141.12819	0.8
143.10789	0.9
158.03709	17.4
159.01543	4.3
159.04504	100.0
159.10149	0.9
165.61371	0.8
169.08649	0.8
187.04010	73.4
187.09746	21.0
187.13348	16.5
201.05708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0973
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03442	2.1
58.84544	0.3
65.10885	0.3
68.25245	0.4
71.02656	0.4
87.75628	0.4
97.06562	7.6
102.94538	0.3
113.26286	0.5
123.08125	3.1
125.09698	100.0
133.56981	0.4
143.10788	1.6
145.08698	0.5
169.08669	3.2
187.09741	57.9
203.05057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1087
Annotation	H-GLN(ISOPROPYL)-OH
Peak:m/z	Relative Intensity
57.03446	0.6
58.02959	0.6
59.01381	2.2
71.01383	0.4
71.04988	0.5
72.00900	3.8
72.04548	1.0
72.99300	0.5
73.02943	0.5
74.02467	7.0
81.03445	0.6
81.07063	0.5
82.02980	3.1
83.01385	0.8
84.04530	12.4
84.05000	0.8
85.02962	0.8
86.02464	4.0
97.06577	1.8
99.04491	3.3
100.07663	3.4
101.07206	2.1
111.00867	2.5
112.07689	0.5
113.06076	0.7
113.07213	2.4
114.09225	1.6
115.04007	0.5
115.08907	2.7
115.09574	2.6
116.03534	0.6
123.08118	0.5
125.02415	4.4
125.06066	2.4
125.09699	14.0
125.10580	0.7
126.09230	0.7
127.05112	0.9
128.03517	25.4
129.01971	0.5
137.27878	0.4
139.08812	1.7
141.06651	0.4
141.07629	0.7
141.10297	3.9
143.03511	2.1
143.07172	3.5
143.09053	2.3
143.11879	10.7
160.31244	0.4
161.16449	0.4
169.05084	0.5
169.09813	34.9
187.00859	0.5
187.02504	1.5
187.06313	5.0
187.10919	100.0
209.20547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1342
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
50.18341	0.2
57.03458	1.2
59.01388	100.0
59.06239	0.3
60.99332	0.3
65.79596	0.4
97.06586	4.6
123.08169	1.8
125.09722	55.3
141.12866	0.7
143.10773	1.5
159.10210	0.5
160.05188	0.5
160.29533	0.3
169.08690	1.6
187.09781	35.3
187.13403	21.3
187.15149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03431	0.9
59.01377	2.5
75.00878	0.5
93.11107	0.6
97.06586	6.4
102.25644	0.6
111.64753	0.5
113.09708	0.7
122.99554	0.6
123.08135	3.4
125.09702	74.9
139.11241	0.8
141.12845	100.0
143.10721	1.4
148.81171	0.6
159.10217	0.7
160.05141	2.3
169.08624	2.1
169.12312	3.5
187.06189	1.1
187.07990	1.1
187.09766	46.3
187.13385	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.134
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
54.82518	0.4
59.01385	100.0
65.01447	6.3
65.93972	0.4
65.99852	1.2
66.00980	2.7
81.04580	0.6
82.02926	0.5
86.93637	0.6
90.00977	0.5
91.03042	2.1
96.20292	0.5
97.06586	0.6
100.19424	0.5
104.02568	0.9
105.04620	0.9
106.04135	2.8
107.02489	0.6
115.08817	1.0
117.04596	0.8
118.04138	2.8
119.02515	1.2
120.05643	0.7
121.04285	0.7
121.05187	11.0
122.05577	1.1
125.09711	16.6
130.04117	2.1
132.05690	1.9
133.04118	5.3
133.06113	0.6
134.03569	0.7
141.86880	3.3
142.04118	1.3
142.89421	1.3
144.04468	0.9
144.05693	2.1
145.04117	0.8
145.05139	5.8
146.03574	1.0
147.04401	1.2
157.05223	0.6
160.05145	14.5
160.06252	2.2
160.07333	0.9
187.06122	9.4
187.07729	2.1
187.09843	10.3
187.13397	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	188.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84243	0.2
65.99871	0.2
66.16235	0.1
74.02460	0.3
83.41980	0.2
87.92534	0.2
90.15180	0.2
91.14443	0.2
91.55703	0.2
98.06897	0.2
116.05038	0.8
116.07169	1.3
125.09696	0.2
126.10046	1.4
144.04543	100.0
158.08159	0.3
159.03246	1.1
160.04013	1.5
188.01823	0.2
188.03516	6.2
188.10069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0565
Annotation	N-Acetyl-L-glutamic acid
Peak:m/z	Relative Intensity
57.03455	0.8
58.02739	0.5
58.02980	8.6
59.01385	33.5
72.00900	0.7
74.02477	0.8
83.01363	0.8
84.01702	0.7
84.04539	2.7
84.07949	0.5
87.92514	3.9
88.04041	1.0
98.02462	3.5
98.06093	1.1
99.04518	0.6
100.04029	4.0
100.04828	0.9
100.07681	24.8
102.05605	100.0
103.92005	1.1
105.93538	0.7
114.05603	2.7
116.07144	6.1
123.94647	0.7
125.02451	0.6
126.02802	1.9
126.05605	9.8
126.10075	0.7
128.03534	94.5
135.97325	0.5
142.05099	4.1
142.08714	3.3
144.06656	35.6
144.07791	1.2
144.10306	2.2
146.03526	0.8
146.04602	11.4
152.79491	0.6
170.04570	24.0
188.05637	39.0
188.09200	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	189.0669
Annotation	(-)-Chrysogine
Peak:m/z	Relative Intensity
57.03474	0.6
59.01378	5.7
69.23480	0.3
71.01395	0.5
72.99306	0.4
73.02972	0.7
73.52956	0.3
75.00850	2.4
75.06373	0.3
77.87762	0.4
83.05042	2.1
85.02961	0.6
87.04498	0.4
92.18433	0.5
97.02968	0.3
101.02447	1.4
101.06094	2.3
107.01495	0.4
109.06602	0.4
111.00903	0.3
115.03954	0.3
120.04793	0.4
127.03976	2.8
129.05568	2.1
135.30220	0.4
145.05054	1.5
145.06595	0.4
146.02440	2.1
147.03239	100.0
147.06522	4.9
153.35283	0.3
159.03232	14.6
160.04013	0.6
162.05568	1.5
165.52664	0.4
171.02992	4.5
171.05579	1.9
172.04028	3.5
173.04787	36.7
182.17270	0.4
188.97768	0.4
189.06639	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0511
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
57.13824	0.2
81.62943	0.2
86.81278	0.2
116.05075	0.4
118.06631	0.8
128.05064	4.0
130.94507	0.3
131.03770	6.1
132.04570	0.4
144.04550	18.3
146.06117	100.0
160.04042	0.3
162.05594	1.7
172.04044	4.4
190.05106	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	191.0195
Annotation	Citric acid
Peak:m/z	Relative Intensity
53.01976	0.4
57.03442	3.3
59.01379	0.6
61.60984	0.4
66.21013	0.4
66.93595	0.4
67.01878	0.6
69.11658	0.5
74.54585	0.4
76.68092	0.4
76.79232	0.5
85.02940	27.2
87.00859	43.1
102.06020	0.4
111.00862	100.0
118.65707	0.5
129.01921	6.4
130.99841	1.0
154.99829	0.9
173.00897	2.5
191.01973	13.4
191.32982	0.5
210.34987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03455	3.9
67.01879	0.7
67.64526	0.3
72.99295	0.4
85.02943	28.9
87.00868	40.1
101.02435	0.7
103.04044	0.4
108.51314	0.3
111.00872	100.0
117.01882	0.5
129.01938	7.5
141.27206	0.4
154.99847	0.7
173.00925	3.5
174.82106	0.4
191.01973	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	191.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94429	0.4
52.41885	0.3
57.03440	3.2
57.99982	0.4
59.01378	7.8
67.01881	0.7
73.02952	0.7
83.01408	0.4
85.02943	25.6
85.03463	0.9
85.17487	0.4
87.00867	35.2
90.63100	0.4
101.02437	0.6
111.00867	88.9
113.68111	0.4
117.01959	0.8
120.83811	0.4
129.01932	5.0
130.99919	0.5
132.02177	0.5
147.03258	0.7
147.04501	13.6
147.06425	1.7
147.08128	0.5
148.01646	8.7
154.99931	0.6
163.00336	0.7
163.03885	0.5
173.00859	2.6
173.02306	0.8
173.05954	0.5
176.01141	100.0
191.01929	14.8
191.03514	34.7
191.05525	2.2
191.07030	1.4
191.10783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03126	0.8
57.03436	2.1
58.98355	0.7
59.01384	18.6
59.54350	0.8
73.20500	0.9
75.45818	0.7
85.02940	22.8
87.00867	34.8
91.96552	0.9
111.00871	79.6
118.99285	7.5
119.05026	5.7
129.01929	6.0
129.09180	1.6
137.00310	1.4
141.09259	1.2
146.98759	0.9
147.04515	100.0
163.00121	0.9
163.04076	0.9
176.01181	10.8
190.97748	1.9
191.01944	13.2
191.03528	30.0
191.07182	4.5
191.10780	1.1
191.69992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	3,4-Dehydro-6-hydroxymellein
Peak:m/z	Relative Intensity
57.03459	2.6
59.01395	5.4
62.20436	0.5
63.93037	0.5
65.49032	0.6
67.01892	0.8
85.02946	20.2
87.00867	26.5
91.01887	3.1
99.92589	1.1
108.02168	1.2
108.43216	0.6
111.00877	65.1
117.03438	3.2
118.99319	1.0
119.01350	0.9
129.01920	5.1
132.02150	6.8
147.04521	100.0
148.01657	4.1
148.22360	0.6
170.26418	0.6
173.00880	1.3
176.01134	6.4
190.97789	0.8
191.01958	11.0
191.03528	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	191.1079
Annotation	11,12,13-Trinor-4-amorphene-3,8-dione
Peak:m/z	Relative Intensity
50.55801	0.5
56.48093	0.6
56.69115	0.6
57.03441	4.2
59.01384	17.5
69.03445	4.5
69.11773	0.6
71.01403	0.8
71.91039	0.6
73.02935	0.9
83.01398	0.6
85.02946	30.4
87.00870	38.3
93.03438	1.0
99.48974	0.5
103.09981	0.6
109.06557	1.2
111.00876	100.0
113.95303	0.6
117.01936	0.8
118.99298	1.3
119.04995	2.4
129.01921	6.1
130.99884	0.9
133.06589	0.6
147.02908	0.9
147.04497	7.1
147.08170	3.6
149.09705	7.5
154.99825	1.1
161.05988	0.8
163.00311	0.7
163.03967	3.6
173.00848	3.6
173.09695	4.4
174.05591	0.7
175.07629	1.2
176.01154	7.8
189.09200	0.8
190.97701	1.0
190.99979	1.2
191.01953	15.5
191.03520	8.6
191.05614	16.8
191.07170	2.0
191.10780	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	193.0143
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
53.63092	0.4
56.11491	0.4
59.01376	4.3
59.38050	0.4
61.35127	0.4
65.77666	0.4
68.99772	0.5
71.01363	0.9
72.99295	0.5
73.02925	0.6
77.03928	0.7
85.02940	0.7
85.97794	0.4
86.40427	0.5
92.18824	0.6
93.03458	2.9
95.01382	0.8
95.05006	0.6
101.02461	0.7
103.00410	0.5
103.35344	0.5
105.03435	2.2
108.02168	0.9
109.02914	1.9
112.73904	0.5
117.03419	0.6
118.99239	0.6
121.02949	16.8
123.00873	0.9
123.04498	1.1
125.02408	1.9
125.34346	0.4
129.69862	0.5
134.03737	9.0
137.02449	3.4
147.00932	0.5
149.02435	18.1
149.06029	3.3
149.09665	0.5
150.03160	1.0
151.00359	0.5
165.01996	3.2
175.00340	2.6
175.03989	0.5
178.02722	25.6
193.01424	100.0
193.05040	10.5
193.08708	0.9
211.44638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0353
Annotation	2-keto-D-Gluconic acid
Peak:m/z	Relative Intensity
58.00588	0.3
59.01380	31.0
63.53764	0.2
71.01376	8.4
71.01747	0.5
72.36333	0.3
72.99303	3.4
73.02935	1.7
78.95893	0.2
82.05072	0.2
85.02934	2.6
85.25173	0.2
87.00874	0.3
89.01926	0.4
89.02436	8.0
101.02456	1.8
103.00362	100.0
110.98510	0.3
113.02423	3.3
131.03484	0.9
133.01357	0.3
144.34439	0.2
148.89032	0.4
175.69066	0.3
178.02643	0.3
193.03534	8.2
194.91544	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	193.0508
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
56.96762	0.2
59.01390	0.2
59.12114	0.2
63.44112	0.2
67.83018	0.2
71.68149	0.2
74.94540	0.2
83.76364	0.2
89.03973	1.0
92.18930	0.4
92.98734	0.2
93.03434	0.2
103.69613	0.2
105.07096	1.9
106.04205	0.3
107.05048	0.2
117.03452	3.4
121.02948	0.8
131.05028	0.3
133.02988	0.4
134.03743	100.0
137.02451	2.7
139.04018	0.8
147.70726	0.2
149.02444	0.4
149.06078	8.4
149.09731	0.3
150.03203	0.4
160.32898	0.2
178.02721	15.7
193.01462	0.7
193.05078	12.7
210.98886	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	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08438	0.3
55.27471	0.3
93.03432	0.5
99.44236	0.3
101.64122	0.3
117.03448	0.6
121.02952	2.1
128.18361	0.3
133.02959	1.7
134.03737	100.0
137.02437	9.0
139.04012	2.5
140.14186	0.3
149.06073	21.3
150.03235	0.8
173.17296	0.4
175.36125	0.4
178.02713	67.5
193.05066	30.9
199.37253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Scytalone
Peak:m/z	Relative Intensity
54.11098	0.3
59.01389	2.1
60.87753	0.3
65.87729	0.3
67.29923	0.3
67.78410	0.3
68.69115	0.3
93.03472	0.3
95.01349	0.4
107.01379	0.4
108.02179	1.6
117.03456	0.4
121.02943	1.3
123.00888	0.6
123.04508	2.8
132.65657	0.4
133.02951	0.5
134.03746	5.6
137.02454	0.4
149.02391	0.6
149.06056	2.1
149.09692	0.8
150.03226	6.0
161.02527	0.4
178.02710	100.0
186.43190	0.3
193.05060	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	195.0299
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
57.25119	0.2
60.21430	0.2
73.32025	0.2
92.02625	0.3
95.05454	0.2
100.38923	0.2
101.37438	0.2
108.02173	2.3
111.49107	0.2
136.01656	100.0
151.04005	10.5
180.00653	7.4
195.02989	34.3
197.45190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
56.70232	0.4
57.03449	4.0
57.11316	0.4
59.01376	13.4
71.01373	6.5
72.99294	2.8
73.02905	0.7
75.00862	76.5
78.95892	3.7
83.60460	0.5
85.02936	7.5
85.87230	0.5
87.00860	17.4
89.02435	8.3
96.95996	3.4
96.96936	12.3
99.00869	21.6
101.02419	2.0
103.00410	0.5
105.01924	6.3
111.00836	2.0
123.94124	0.5
126.28167	0.5
129.01923	48.4
129.93478	0.5
141.01907	1.1
147.02951	2.3
154.64098	0.5
159.02956	7.7
177.04053	7.2
187.27559	0.5
195.05087	100.0
202.79198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52125	0.7
53.40921	0.6
53.61264	0.6
55.36655	0.6
57.20998	0.6
59.01361	1.2
65.90604	0.6
72.66793	0.6
75.00857	28.0
88.66887	0.8
101.01599	0.7
107.01398	0.7
107.05025	1.3
108.02132	2.7
122.03765	1.2
123.04527	3.1
135.04517	0.9
136.01630	17.7
136.05283	4.3
137.02423	4.8
150.03198	100.0
151.00377	1.1
151.03973	7.3
151.08731	5.3
152.01158	1.7
161.95694	0.8
165.05539	86.3
177.01938	1.1
180.04280	29.8
188.93393	0.8
195.02965	11.0
195.06599	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	195.066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.5
67.59351	0.5
75.35815	0.6
84.78998	0.5
85.73608	0.7
93.03421	4.6
106.04080	3.2
108.02150	1.2
116.10233	0.6
121.02980	2.1
122.03689	6.2
123.04549	1.0
133.02937	1.2
135.04604	0.6
136.01642	13.8
136.05275	3.5
137.06084	0.6
149.02396	8.5
150.03197	97.4
151.04004	15.2
153.03030	4.2
163.03989	9.5
164.04771	3.9
165.05540	100.0
177.09245	0.6
180.04240	13.4
194.97328	0.6
195.02850	8.5
195.06627	13.5
195.10265	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	195.1027
Annotation	Phenol A
Peak:m/z	Relative Intensity
59.01375	2.0
75.00848	1.3
95.04412	2.1
95.05016	52.2
107.48906	1.0
109.06546	1.5
135.08147	25.3
136.01645	16.7
136.05246	1.9
140.60214	1.2
149.09709	5.3
150.03218	26.9
151.03984	4.9
151.11273	100.0
154.63583	1.0
165.01906	2.5
165.05573	21.4
167.76363	1.3
177.01878	1.5
177.09119	1.8
180.00710	1.8
180.04280	15.9
195.02994	7.3
195.06659	12.3
195.10263	54.5
195.12006	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	195.1388
Annotation	beta-Isocyclolavandulyl acetate
Peak:m/z	Relative Intensity
50.02534	2.2
50.13005	2.2
59.01373	15.8
59.62514	2.6
75.00906	3.5
92.19032	8.0
103.88715	3.2
106.04086	100.0
123.84557	2.4
130.47479	2.7
132.86852	3.6
136.05325	3.8
150.03177	31.3
151.03983	3.5
151.11217	4.2
165.05579	36.9
167.14438	4.7
180.04243	15.0
194.97360	30.7
195.04791	4.9
195.06602	28.7
195.10265	5.6
195.13889	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10282	0.4
79.95733	100.0
83.01404	0.5
104.05383	0.4
108.04539	2.0
108.05272	0.6
122.02470	0.5
122.06103	12.8
129.47633	0.5
132.04890	19.5
137.02011	0.5
139.35852	0.5
151.03603	0.5
152.03389	0.7
164.03529	1.1
166.05914	0.7
181.00302	0.8
196.01065	51.0
196.06042	7.9
198.82513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0252
Annotation	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
Peak:m/z	Relative Intensity
51.06438	0.3
56.66324	0.3
66.03481	1.7
80.05051	8.4
82.02963	0.4
83.94268	0.4
94.02979	9.5
108.02187	1.8
108.04546	100.0
109.02936	5.9
110.02538	0.3
122.02462	3.7
124.04045	0.5
125.48777	0.4
126.06665	0.4
137.01956	0.6
152.03520	41.7
165.01895	0.4
166.01480	0.9
166.02733	3.1
166.05898	0.5
178.02335	0.4
181.00153	0.7
181.03828	1.5
189.78896	0.4
195.90677	0.4
196.02510	2.0
196.03621	2.1
196.06097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0982
Annotation	3,5-Dimethoxytyramine
Peak:m/z	Relative Intensity
62.08232	0.2
68.19254	0.2
71.33124	0.2
80.54943	0.2
83.01388	4.8
85.17400	0.2
112.01646	0.2
120.76189	0.2
136.04010	0.4
136.07668	0.4
136.58781	0.2
138.01978	9.8
139.02762	10.6
140.03575	0.4
150.05615	0.2
154.08728	0.8
154.21016	0.2
160.84271	1.0
171.01741	0.3
178.08777	1.6
194.21849	0.2
195.81070	0.3
196.09816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0093
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
57.03452	1.2
59.01363	1.8
60.10710	1.0
65.00315	1.1
68.54633	0.8
71.01383	1.0
72.61404	0.9
75.00874	1.9
81.03455	6.2
82.00580	1.6
83.01376	4.1
84.99302	1.6
85.02926	1.5
91.05518	1.9
93.03461	6.6
95.01371	1.9
96.96017	7.3
96.99313	1.3
97.02946	2.4
107.01425	1.2
107.05025	6.2
109.02917	15.8
109.04058	1.7
109.06566	6.2
110.00092	92.8
111.04507	1.1
121.02930	11.6
123.00858	1.9
123.04514	11.3
125.02390	10.7
125.06047	2.2
125.99609	1.4
135.04523	10.2
137.02412	4.3
137.99593	54.9
138.03192	1.4
139.04005	39.1
149.02435	62.7
151.03998	6.6
153.01936	89.2
153.05560	9.9
153.06725	6.4
153.09193	1.5
153.12846	1.8
166.99902	2.4
167.03496	100.0
169.12306	2.5
179.03511	2.4
182.02234	6.2
196.89348	1.7
197.00952	28.9
197.04594	46.9
197.08267	3.2
197.09886	3.2
197.11826	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	197.0206
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
55.92804	0.4
56.50961	0.4
57.03437	0.4
59.01400	0.4
60.40091	0.4
65.93111	0.4
67.60877	0.4
68.07085	0.4
71.01375	0.4
71.98641	0.5
109.02934	4.5
121.02911	0.5
137.02454	14.4
150.02022	0.8
153.01883	0.5
153.09207	2.4
153.12854	1.0
160.84273	0.5
162.83949	0.9
166.01543	0.5
166.99957	0.5
167.02251	10.0
169.12367	3.0
179.10696	0.5
180.01770	12.0
180.03215	0.8
182.02214	2.9
197.02060	100.0
197.09906	2.2
197.11824	26.4
197.15425	0.6
207.11534	0.4
212.00829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0453
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
52.23352	0.6
52.45427	0.5
56.00169	0.6
58.98273	0.6
59.01368	1.0
65.30700	0.6
67.02988	0.6
67.15414	0.7
68.03307	0.8
68.69181	0.6
72.99287	1.4
75.00871	3.5
78.98579	0.8
79.95713	0.8
80.96489	5.1
81.03436	4.3
83.01376	0.7
91.05530	1.2
93.03435	1.1
96.95982	4.4
97.02943	5.8
99.00887	0.8
105.25687	0.7
107.05003	0.9
108.02142	1.1
109.02938	9.8
109.04077	1.0
109.06567	4.5
110.00077	4.0
121.02926	26.9
123.00833	1.3
123.04500	9.8
123.08150	1.5
125.02417	1.5
134.16451	0.8
135.01093	1.2
135.04510	3.9
137.02423	100.0
137.99586	1.7
138.03192	1.3
151.04027	1.0
153.01917	5.6
153.05635	5.0
153.06664	0.8
153.09201	8.3
167.03529	0.8
178.99875	1.2
182.02141	1.5
196.89404	1.4
197.00980	9.7
197.04503	32.4
197.08177	3.8
197.09933	1.6
197.11804	15.3
198.16626	0.9
212.28044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0457
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
51.23457	1.0
56.94172	1.2
59.01371	1.5
68.99796	1.2
71.05004	1.6
72.99311	2.2
78.95877	1.3
81.03434	1.7
82.00617	1.6
83.01369	1.6
85.02966	1.1
93.03432	4.6
96.96005	7.1
97.02925	2.4
107.05000	4.7
109.02916	10.7
109.06575	2.0
110.00080	62.1
115.03996	8.5
116.82399	1.5
121.02953	10.9
123.04528	10.1
125.02437	6.8
135.04518	8.2
137.02461	11.3
137.03389	1.6
137.99580	43.3
139.04002	39.7
149.02425	60.0
151.00319	1.5
151.04010	2.8
153.01921	61.0
153.05528	5.4
153.06714	4.4
153.09247	1.5
153.12878	1.6
165.01936	1.5
167.03488	100.0
179.03452	2.0
182.02179	2.3
193.17747	1.3
196.89519	4.8
197.00917	21.0
197.04588	46.4
197.08203	1.5
197.09830	3.9
197.11827	21.7
197.15431	2.0
213.19159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0454
Annotation	Syringic acid
Peak:m/z	Relative Intensity
53.06945	0.3
73.32592	0.3
74.84797	0.3
76.90745	0.3
92.18449	0.5
92.37885	0.3
95.01358	3.3
97.02924	0.4
103.21209	0.3
107.04998	0.4
109.02911	0.7
111.00824	0.5
121.02933	15.5
121.06558	0.5
123.00860	22.9
135.00848	0.5
135.08136	0.7
138.03207	13.6
153.01875	1.6
153.05557	13.9
153.09129	2.5
153.12712	0.4
166.99841	36.4
181.01387	0.7
181.65945	0.3
182.02197	100.0
186.83488	0.3
197.04547	29.0
197.08275	0.7
197.11783	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
60.89297	0.3
61.72375	0.3
71.04993	0.4
90.79803	0.4
92.24079	0.3
97.06585	10.8
99.08151	2.8
109.06548	0.4
111.08134	0.4
122.03735	1.5
125.09758	0.7
137.09747	2.0
147.15594	0.4
151.11301	1.3
153.12860	100.0
162.83907	0.5
179.10793	21.4
197.11850	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03449	1.5
65.81949	0.6
68.99857	0.7
75.19971	0.6
83.05012	0.8
87.82577	0.6
92.18405	1.7
102.42719	0.7
104.00662	0.6
109.02906	0.7
118.22501	0.7
121.02882	0.9
123.00825	0.9
137.09712	0.8
146.62889	0.6
153.09195	2.8
153.12817	7.0
166.99820	1.1
169.12338	5.3
179.10786	1.2
182.02240	5.4
182.07387	1.2
197.04599	1.0
197.09947	6.0
197.11827	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	198.0044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35241	0.8
57.63388	0.7
66.03484	100.0
80.09223	0.8
96.71609	0.9
98.02422	1.0
99.98477	1.0
110.02473	56.8
110.03257	1.9
110.06110	1.8
136.07672	2.1
153.35667	0.8
154.01439	56.0
154.08742	1.1
197.45824	0.8
198.00420	19.6
198.04021	1.2
198.07701	43.8
198.12068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13837	0.3
75.92524	0.2
102.46088	0.3
104.98695	0.2
129.57350	0.2
139.99893	0.5
140.24963	0.2
153.01976	0.6
154.01466	0.5
158.62704	0.2
167.99374	48.3
182.00873	0.5
183.01723	100.0
198.04086	25.7
198.10304	1.2
198.12204	1.2
204.28740	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	199.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22362	0.9
67.55045	1.1
72.99300	1.1
83.05036	1.1
111.00857	1.4
111.08137	1.3
119.05006	100.0
124.59925	1.3
125.06093	1.5
130.44662	0.9
137.09692	4.5
155.10785	9.5
155.14343	1.4
163.03984	52.6
167.41786	1.0
181.12335	1.1
199.06148	1.5
199.09737	13.5
199.13409	35.6
199.17050	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	199.0612
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
55.01881	6.0
59.01371	1.6
72.99234	0.3
73.02948	0.4
83.05055	0.5
85.02904	0.4
88.00820	0.4
99.04544	0.6
109.06596	0.8
111.00858	4.9
111.08144	100.0
115.29121	0.4
116.92850	0.9
122.03751	3.7
125.09676	0.4
127.04036	0.5
128.09055	0.4
137.06075	25.2
137.09721	2.2
145.54070	0.4
154.99863	2.0
155.03516	0.5
155.07124	15.6
155.10794	0.8
156.89452	1.6
179.78194	0.4
181.05051	8.7
181.08681	0.6
192.73045	0.4
198.98897	1.4
199.01057	0.3
199.06140	9.9
199.09781	4.2
199.13412	7.6
199.17038	11.8
200.08517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0979
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.67123	0.3
59.01381	1.8
60.91060	0.3
61.61041	0.3
71.05045	0.4
78.91891	3.5
83.05005	0.5
88.44154	0.3
88.97691	0.4
111.00912	0.3
111.08166	1.3
137.09747	7.1
155.10789	100.0
157.08722	1.8
181.08720	1.8
198.94025	4.1
199.06137	0.5
199.07912	0.5
199.09773	11.8
199.13441	13.3
199.17058	3.4
214.52167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
61.98822	0.3
64.35854	0.2
71.05009	1.5
73.61021	0.2
85.06609	0.4
111.08147	0.3
125.09660	1.0
127.11249	2.8
153.12828	1.5
155.10808	1.1
155.14374	1.3
163.11220	0.4
181.12294	0.6
197.11797	1.4
199.13388	100.0
199.17061	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	200.9862
Annotation	4-Sulfobenzoate
Peak:m/z	Relative Intensity
55.61899	0.3
56.22857	0.2
57.03436	0.5
59.01376	3.4
66.91052	0.3
71.05004	0.3
73.02929	0.5
83.05027	0.3
85.02921	0.4
87.00845	0.3
87.04483	0.3
94.11796	0.3
95.05022	0.4
97.06571	0.6
98.16248	0.3
99.04541	0.3
111.04482	0.3
111.08121	0.6
113.06055	0.4
121.02930	100.0
125.02471	0.3
125.09705	0.5
129.05582	0.5
139.07616	4.1
141.05501	0.6
155.07095	0.3
157.08694	3.7
183.06581	1.4
200.98611	9.5
201.02144	0.3
201.07693	7.6
201.11259	4.0
209.34259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
71.20910	0.5
87.40474	0.4
96.63863	0.5
119.12946	0.4
132.90221	0.5
157.03537	10.7
159.01512	3.3
201.02531	20.5
201.04390	0.7
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
57.03449	0.5
58.00586	1.3
59.01387	2.9
73.02939	0.5
85.03014	0.3
101.27708	0.3
121.06573	0.5
125.09698	6.2
127.11272	8.1
127.13169	0.3
137.09669	1.3
139.11267	2.0
139.20036	0.3
155.10786	3.5
157.12289	0.5
165.09174	3.6
171.10265	2.7
183.10280	2.6
185.97231	2.5
199.09753	3.0
200.99590	0.5
201.11327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1497
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
51.54655	0.2
52.69547	0.2
53.20007	0.2
59.01381	2.5
104.64911	0.3
125.09681	1.3
127.11255	0.2
134.35428	0.3
139.07687	0.3
139.11278	1.1
155.14426	3.9
173.74649	0.3
183.13892	1.8
199.13481	0.5
201.02483	0.4
201.11307	2.6
201.14975	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	203.0198
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.98687	0.7
57.03445	3.1
58.02974	0.7
59.01384	19.3
60.00167	0.8
60.99282	0.7
63.76611	0.8
69.03453	51.6
71.01374	29.5
71.05009	1.1
72.99290	5.1
74.40231	0.7
75.00855	1.8
77.88264	0.7
79.01882	3.6
83.01418	1.0
85.02944	8.5
87.00867	12.2
87.04505	1.1
94.50475	0.8
95.01364	1.2
97.02938	85.3
97.06583	4.5
99.00871	1.2
99.04495	0.9
101.02467	1.5
103.92022	1.7
111.00857	3.4
111.04495	1.2
113.02414	3.9
114.01894	0.8
115.00368	8.8
115.03996	3.9
123.00854	3.4
129.01926	5.5
130.67673	1.0
130.94354	1.6
139.08830	1.0
141.01942	20.8
141.05614	2.5
141.10274	2.7
143.03430	1.9
145.01421	1.1
147.50139	0.8
148.95383	6.0
159.02948	1.5
159.06625	4.5
160.89224	1.4
185.04587	1.0
185.09351	3.9
189.78572	0.8
203.01985	100.0
203.05594	7.7
203.10548	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	203.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60402	0.5
57.03442	0.7
59.01377	18.1
68.92762	0.6
69.03453	3.0
69.71458	0.6
71.01015	0.9
71.01373	12.8
71.04993	0.7
72.99290	0.7
73.02950	1.0
83.05010	1.2
85.02927	1.3
87.04520	0.9
93.01334	0.8
95.05025	6.7
97.02979	6.7
97.06571	16.4
99.04475	0.8
103.92052	0.8
113.02435	33.0
113.03229	1.4
115.07633	25.5
123.04504	2.9
125.02431	21.4
127.03999	1.2
130.94388	0.9
141.05568	87.4
141.09198	1.0
145.04980	1.4
148.95413	2.7
159.02971	0.9
159.06590	7.4
160.89325	1.2
167.03394	0.9
185.04546	100.0
203.00243	1.2
203.01997	8.4
203.05606	43.5
203.09132	5.4
207.27336	0.8
211.15764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.65335	0.5
52.98529	0.7
55.20517	0.6
64.80291	0.5
72.00525	0.9
72.00906	21.8
74.02053	1.2
74.02469	40.1
116.05050	100.0
129.05843	0.7
130.06609	3.1
142.06609	27.0
159.09265	26.0
159.10254	0.7
186.05566	3.0
203.08263	90.3
203.44006	0.8
221.97017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85920	0.5
58.64107	0.6
59.01386	100.0
66.48996	0.5
68.96685	0.5
87.43611	0.6
90.69628	0.5
94.03395	0.5
97.02975	0.6
99.08150	9.8
103.92025	0.6
114.17091	0.6
122.74546	0.5
125.06152	0.6
141.09206	7.2
143.07153	7.8
147.04472	0.7
157.08664	5.5
161.08191	0.6
185.08243	0.9
193.98610	0.6
194.36737	0.7
203.01852	0.9
203.03497	1.3
203.09276	19.3
203.12929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0876
Annotation	Casuarine
Peak:m/z	Relative Intensity
53.19280	0.7
57.03443	1.4
58.02973	13.6
59.01375	3.9
69.03439	1.5
70.03767	1.6
71.01372	8.0
71.04982	0.6
72.04538	1.1
72.99291	0.7
74.02445	0.8
84.04525	4.2
85.02942	8.5
88.04030	27.4
97.02941	1.3
98.02402	0.8
98.03288	3.5
98.06080	3.7
100.04027	8.6
102.53852	0.7
108.04531	1.0
110.06062	1.5
110.11635	0.7
114.05573	2.5
114.09198	4.1
115.00346	1.2
116.01688	0.8
116.07164	10.8
124.07668	0.9
128.03493	1.5
128.07156	1.3
132.03014	9.4
132.06657	26.3
136.86316	0.9
138.05566	0.9
140.05501	0.8
140.07162	15.4
142.08766	1.3
144.02888	0.8
144.06633	1.1
145.05096	0.8
149.27953	0.8
149.95552	1.0
158.08214	37.8
160.04086	3.4
160.06110	3.6
160.09724	0.8
161.89423	5.3
162.07709	4.5
165.30518	0.7
168.03046	1.5
168.06613	4.1
186.04060	0.9
186.07698	20.6
186.97382	0.8
202.07204	1.1
203.90121	0.9
204.02394	4.5
204.08763	100.0
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	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
53.20929	0.4
59.01390	0.9
68.62766	0.4
71.01385	0.9
71.05013	10.3
72.99303	0.9
74.47239	0.4
75.00883	0.9
77.84850	0.4
81.03453	3.1
83.01367	0.8
83.34569	0.4
85.02940	1.0
87.00864	25.2
90.63301	0.4
92.18692	0.9
99.00871	1.0
99.04505	18.4
101.02435	19.4
111.00873	1.9
115.00311	0.6
115.04012	3.9
116.71909	0.4
125.02431	100.0
130.99908	0.5
133.01431	0.6
143.03503	5.6
145.01416	10.2
159.08611	0.5
161.04495	0.7
187.02486	11.6
205.03529	24.2
205.07092	1.7
205.09038	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	205.0506
Annotation	Eugenin
Peak:m/z	Relative Intensity
50.59648	0.7
59.01363	1.4
60.98211	0.9
64.20761	0.8
68.99812	1.0
98.28761	0.9
98.47868	0.7
127.36333	0.8
133.06590	1.5
134.03712	3.9
161.02446	1.5
161.05998	1.1
162.03212	27.7
162.89351	1.2
190.02715	100.0
205.05051	40.4
205.08807	1.2
211.58133	1.0
219.23943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0505
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
59.01376	1.0
61.73636	0.2
63.73038	0.2
64.29755	0.2
105.97732	0.2
111.68471	0.2
117.03453	0.4
121.05209	0.2
131.05000	1.0
143.05006	100.0
158.03665	1.0
159.03233	0.4
159.04497	9.2
161.02354	0.4
161.06049	0.4
162.89366	0.3
169.80464	0.2
187.03995	23.9
190.02637	0.3
205.01303	0.3
205.05038	11.7
205.15982	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	205.0506
Annotation	6-Hydroxymethylherniarin
Peak:m/z	Relative Intensity
54.44918	0.4
55.01868	0.8
59.01366	1.3
59.14430	0.5
69.30990	0.5
84.69119	0.5
85.02925	1.3
88.16622	0.5
93.03452	5.9
99.00871	19.5
108.02139	0.7
111.00882	1.2
117.03443	4.7
126.04794	0.6
130.04230	2.1
131.05009	45.0
132.05814	0.6
133.06570	4.6
145.02927	3.0
149.06071	2.8
161.02365	1.0
161.06058	17.3
175.03995	47.6
190.02704	3.0
205.05049	100.0
205.12439	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
54.16966	0.2
58.54954	0.2
59.15276	0.2
64.19273	0.2
68.19012	0.2
94.72383	0.2
101.40904	0.2
103.00629	0.3
121.05201	4.2
163.06189	0.3
189.12831	0.5
199.47275	0.3
199.93837	0.3
205.15973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0458
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
53.17201	0.3
59.01385	0.7
83.81070	0.4
92.05046	8.4
116.05046	4.0
117.05374	0.8
118.02969	10.5
118.05790	0.5
118.06611	10.7
134.06113	80.2
144.04543	100.0
146.02473	94.6
151.30136	0.4
153.03693	0.4
160.03972	3.4
162.01976	0.9
162.05583	10.3
173.24889	0.3
206.04579	9.7
206.09146	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	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.18653	0.7
58.02975	24.7
59.06936	0.7
61.40236	0.8
67.49065	0.7
70.02972	9.2
72.00885	3.3
74.52041	0.7
86.77648	0.7
91.05518	19.1
91.11502	0.7
109.37534	0.8
117.03450	1.1
118.03758	1.8
121.96210	0.8
134.06139	0.9
146.03345	1.0
147.04498	29.3
162.06400	4.6
164.07156	100.0
206.08208	41.5
206.11096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.082
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
56.71377	0.4
58.02974	24.8
70.02968	11.2
72.00896	3.2
84.09565	0.5
85.42201	0.5
85.97011	0.5
91.05517	19.6
115.72193	0.7
128.69861	0.6
129.97810	0.6
144.05371	2.9
147.04503	36.1
162.09328	0.6
164.07153	100.0
206.08200	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	207.0297
Annotation	3-[(1-Carboxyvinyl)oxy]benzoate
Peak:m/z	Relative Intensity
58.02946	0.7
59.01371	11.0
65.69014	0.7
70.02966	0.7
71.01377	1.2
75.00874	0.8
75.20655	0.7
79.95731	1.8
89.02383	0.9
89.60591	0.7
92.86211	0.9
104.97863	0.7
119.05000	100.0
135.04532	3.1
136.01660	0.9
137.02478	0.8
138.53844	0.8
143.05002	7.2
147.02963	1.9
156.78232	0.8
160.01949	0.9
163.03981	20.0
163.07620	1.7
164.07170	0.8
165.07497	4.1
177.01918	5.6
179.03522	1.0
192.00647	4.1
192.04221	6.1
207.01183	53.7
207.03006	41.0
207.06621	5.5
207.08446	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	207.0511
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.29075	0.4
52.08750	0.5
54.10561	0.4
57.03442	0.8
59.01387	8.6
59.45753	0.5
63.65483	0.5
71.01372	3.1
71.02508	0.6
72.99291	4.7
73.02934	4.7
75.00867	2.0
76.52337	0.4
83.01380	0.9
85.02933	10.0
87.00862	7.1
95.01366	0.5
95.02490	1.0
99.00872	3.0
99.04527	0.7
101.02447	4.2
108.90192	4.5
109.02940	5.4
113.02437	3.2
113.03565	12.3
114.01952	6.3
115.00344	0.6
117.01925	10.3
127.04002	4.3
129.01915	8.2
131.03574	2.1
131.04610	30.7
133.03346	3.2
135.03001	0.7
147.02977	2.2
150.78065	0.5
153.03964	0.6
189.04059	1.1
207.05104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0661
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
52.89483	0.3
54.28061	0.4
59.01380	2.1
60.40173	0.3
68.83267	0.4
73.41458	0.3
85.02945	0.3
93.03452	0.4
108.17989	0.4
121.02947	0.4
123.04477	0.6
149.02405	4.2
151.46658	0.4
163.04048	0.9
177.01923	73.2
177.87865	0.3
191.03520	1.8
192.04285	100.0
207.06625	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	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.97028	0.1
59.01384	1.5
71.26867	0.2
88.61909	0.2
95.05029	0.3
105.03455	1.0
106.59389	0.2
112.57408	0.2
119.32351	0.2
128.65344	0.2
133.02951	10.0
143.64034	0.2
144.57651	0.2
147.03021	0.3
148.05260	0.2
149.02449	0.4
164.04791	1.7
177.01926	8.1
178.21124	0.2
192.04286	100.0
207.06625	19.7
220.12094	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	207.1029
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.99436	0.2
54.27252	0.2
57.66707	0.2
59.01394	4.9
59.01671	0.5
71.01434	0.2
75.00893	0.4
85.02944	0.2
95.08674	0.4
99.00903	0.4
100.33474	0.2
107.05026	0.4
121.06599	2.4
129.01962	0.5
137.09732	100.0
139.59108	0.2
147.03008	1.4
147.08214	0.3
163.07654	1.7
163.11295	6.6
165.05481	0.3
173.01744	0.2
177.01933	2.2
181.01672	0.3
192.04308	3.9
207.06693	2.7
207.10294	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0615
Annotation	4-Nitrophenyl butyrate
Peak:m/z	Relative Intensity
51.49335	1.5
52.07888	1.5
53.16964	1.7
55.73108	1.8
59.01384	4.3
63.24726	1.5
64.76236	1.9
68.78112	1.7
72.00899	2.8
73.12717	1.9
74.00691	1.9
87.83052	1.9
91.05536	16.7
96.95986	3.4
106.85954	2.0
118.06617	12.6
131.79419	2.0
146.06114	9.7
147.04507	68.1
162.05627	8.9
164.03439	4.0
164.07187	9.3
168.54890	1.9
190.05096	100.0
208.02867	4.3
208.06134	37.3
217.21179	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	209.0455
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
56.79094	0.8
59.01366	4.0
62.82471	0.9
66.01541	0.8
67.33857	0.8
67.36668	0.9
72.78503	0.9
80.96502	4.7
85.02953	1.4
93.03442	14.4
96.96027	1.6
107.05000	1.9
108.02209	1.9
120.02043	1.2
121.02953	10.4
121.06582	1.7
122.03652	1.3
123.00829	1.4
123.04523	2.5
135.04515	100.0
137.02429	1.8
137.06096	1.5
137.09665	4.3
141.11876	1.0
147.04491	9.6
149.02415	1.9
150.03226	16.0
151.00357	2.4
161.06023	2.1
165.01947	4.5
165.05539	6.9
166.02693	5.0
179.03487	86.7
191.07208	1.1
194.02180	18.1
209.04559	70.9
209.08279	7.9
209.11775	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	209.0455
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
52.56997	0.6
55.31833	0.6
55.93762	0.5
58.05494	0.5
59.01367	4.6
63.14990	0.6
69.63630	0.6
73.52702	0.6
80.52641	0.6
86.99158	0.7
88.16074	0.7
97.22006	0.8
108.02129	1.0
115.90581	0.7
119.96748	0.7
121.02982	2.8
122.03712	3.6
123.04498	4.9
136.01656	18.0
137.02438	12.8
139.04024	1.0
150.03210	100.0
151.02788	2.1
151.03989	25.0
161.43517	0.9
163.03987	3.7
165.01869	1.6
165.05548	14.6
166.02676	1.7
166.05078	1.1
179.03394	1.3
181.05273	0.7
190.99835	1.6
191.03503	6.7
194.00613	1.1
194.02200	17.0
209.01010	1.3
209.04549	47.9
209.07983	1.5
209.11781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	2,4-Diacetylphloroglucinol
Peak:m/z	Relative Intensity
50.25224	0.5
54.45205	0.4
59.01370	2.6
62.93737	0.5
65.20667	0.5
80.51870	0.6
81.03438	0.7
107.01363	3.3
121.02949	1.3
123.00860	2.9
125.02427	0.8
135.00873	18.0
147.92538	0.5
151.00397	1.1
163.16429	0.5
166.02684	2.8
194.02206	100.0
209.04550	32.7
209.11880	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	209.0457
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
50.94203	0.7
54.49252	0.7
59.01387	2.1
78.95917	1.1
80.09753	1.0
83.01393	1.3
89.03962	5.4
91.01886	1.2
93.03467	1.2
105.03445	3.4
106.40709	0.9
111.00874	3.7
121.02951	4.9
121.06511	1.7
122.03719	1.9
123.04511	1.3
133.02956	33.4
137.02467	3.4
139.00415	1.5
149.02422	1.7
150.03221	21.1
152.01122	0.9
153.01924	1.6
165.05568	100.0
166.02724	2.1
166.06277	1.1
177.01967	6.5
179.02380	1.9
194.02217	67.7
194.05832	6.0
209.02565	2.1
209.04562	58.2
209.08098	3.9
209.11862	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	209.0453
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
52.30902	0.1
60.86186	0.2
61.97255	0.2
70.31348	0.2
75.13730	0.2
85.58115	0.2
91.05503	0.2
91.07220	0.2
98.63179	0.2
100.88471	0.2
120.02153	4.4
121.02930	100.0
123.04483	0.3
136.01640	1.4
137.02437	0.9
150.03192	0.3
152.01093	0.9
164.01158	0.4
194.02226	2.4
209.04533	15.4
223.95526	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	209.0664
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
53.67708	1.1
57.03453	23.0
58.99585	1.3
59.01377	48.9
71.01371	27.3
72.99296	2.7
73.02934	1.3
74.99097	5.6
75.00850	6.3
77.00632	2.9
80.96500	15.4
82.74243	1.2
83.01357	12.9
84.02134	2.3
85.02938	94.8
87.00859	97.1
87.04503	1.9
89.02422	29.9
93.03424	2.5
95.59837	1.4
96.96913	1.7
99.00862	21.0
100.98784	1.5
101.02431	15.6
111.00816	1.9
115.03979	11.4
120.99622	10.1
121.02966	9.6
129.01923	62.8
131.03496	6.5
133.01389	5.7
136.99123	3.2
137.02472	3.7
145.28780	1.4
147.02917	6.4
150.03148	1.7
159.02931	11.9
165.01909	2.1
191.01933	13.0
191.05600	10.0
209.01132	14.4
209.03021	14.2
209.04723	7.6
209.06641	100.0
209.11801	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	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.34745	0.6
59.01403	1.0
75.69335	0.7
83.61289	0.6
83.68627	0.7
84.70292	0.6
85.22005	0.6
91.01492	0.6
104.10848	0.6
111.78850	0.7
121.02936	1.4
209.11848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01381	100.0
62.87882	0.3
71.01378	5.9
84.80412	0.4
92.18429	0.5
92.18919	0.7
121.02924	0.6
121.06560	0.8
123.04536	0.7
137.09706	31.9
149.09718	0.8
165.12796	0.5
191.10770	3.2
194.02245	0.7
206.22528	0.4
209.04567	1.4
209.11824	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	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
54.54675	0.6
57.90886	0.7
59.01385	100.0
76.57798	0.7
86.12530	0.7
96.95999	1.6
97.06609	1.5
101.81676	0.7
109.06593	2.9
114.73492	0.8
121.02947	1.4
165.12866	6.0
194.02153	0.9
199.88344	0.8
203.57358	0.7
209.08530	3.0
209.11862	25.3
215.45636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0248
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
57.03447	0.3
58.77019	0.3
59.01384	1.5
63.98901	0.3
75.00878	0.3
81.03465	0.5
96.78072	0.3
96.96015	1.2
104.16862	0.3
107.05009	0.5
108.02161	36.1
109.02946	1.7
116.04737	0.3
120.02151	0.6
123.04509	17.2
125.02424	0.6
129.05595	0.4
135.00854	0.4
135.04433	0.6
138.03209	0.4
148.01657	13.8
149.02473	0.6
150.03235	0.3
151.06056	1.1
152.01135	100.0
153.01933	0.4
153.04337	0.7
153.05551	16.7
163.03999	25.3
166.02710	2.0
166.99773	0.6
167.03485	17.8
167.07108	0.3
179.03421	0.4
181.05057	23.6
193.05025	0.5
196.00139	9.4
196.02042	0.5
196.03784	4.0
211.02480	56.2
211.05984	12.8
211.13521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0612
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
59.01359	0.6
65.70947	0.4
75.57040	0.4
81.64109	0.4
95.01362	4.9
108.02168	17.9
109.02926	4.6
120.02113	2.9
121.02802	0.4
123.00881	6.5
123.04512	10.4
135.04410	1.7
136.01614	1.0
138.03210	1.0
140.81937	0.4
148.01656	55.2
149.02371	0.8
151.03983	0.9
152.01138	44.7
153.05563	62.1
163.04002	91.8
165.01897	0.7
166.02702	8.5
166.99825	0.8
167.03464	8.3
181.05060	100.0
196.00154	3.7
196.03778	7.7
210.99109	0.8
211.02524	28.7
211.06105	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0611
Annotation	Danielone
Peak:m/z	Relative Intensity
52.64606	0.3
53.55900	0.3
57.04779	0.2
59.01377	9.8
62.22143	0.3
67.01884	4.7
81.03458	1.7
82.71939	0.3
83.01387	0.4
87.33111	0.3
89.96154	0.3
89.96763	0.3
95.01366	5.4
99.57413	0.4
107.01336	2.4
108.02166	4.7
109.02935	1.6
109.75584	0.3
110.99662	0.3
111.00858	10.9
121.02950	0.5
122.03724	4.4
123.00900	4.4
123.04509	100.0
124.01675	3.0
125.02425	1.7
134.07315	0.5
135.19987	0.3
136.05359	0.5
137.02432	0.5
138.03204	0.8
139.00363	8.6
148.01678	1.8
149.02403	0.4
149.09717	2.5
151.00333	0.4
151.06099	1.6
152.01143	9.5
152.04774	9.7
152.08466	2.3
153.05568	0.7
163.03966	2.0
166.02721	3.4
166.99867	0.3
167.03476	1.8
167.06149	0.5
167.10754	6.0
168.00569	0.7
168.04196	0.6
168.64394	0.4
179.49188	0.3
181.05086	3.3
183.13905	0.4
184.26173	0.3
196.00148	8.8
196.03825	0.4
211.02573	7.9
211.06117	37.9
211.09593	7.6
211.13373	5.8
211.16937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0973
Annotation	Striatisporolide A
Peak:m/z	Relative Intensity
54.52577	1.6
55.56104	1.9
58.22489	1.7
59.01374	100.0
61.91402	1.8
62.26286	2.0
65.92203	1.8
80.96491	2.0
82.01582	2.1
88.93568	2.1
95.01379	14.3
111.00841	3.2
118.70496	2.2
123.00867	15.4
123.04509	41.7
124.01610	2.3
137.02486	2.4
139.00336	2.5
148.01692	8.0
149.02393	2.0
149.09691	18.0
151.06110	10.7
151.07599	8.2
152.01135	11.3
152.08429	16.9
153.05556	11.6
163.03995	14.0
165.01808	2.1
166.99806	2.7
167.03456	3.0
167.10722	45.7
181.05022	11.0
193.01309	2.9
193.05164	2.1
196.00035	2.3
196.03795	3.5
211.02455	10.4
211.06181	18.2
211.09723	44.1
211.13382	9.3
233.62151	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01364	0.3
62.95543	0.3
67.01880	0.4
86.68798	0.3
97.06583	1.5
107.38605	0.4
125.09727	2.6
129.03130	0.3
139.11221	0.3
153.05533	0.5
154.06326	0.7
163.04066	0.7
167.10753	0.4
167.14394	3.0
175.11331	0.4
181.05049	0.8
183.13864	0.8
210.99931	0.6
211.04016	2.2
211.13396	100.0
220.61891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	DIHYDROJASMONIC ACID
Peak:m/z	Relative Intensity
54.07091	1.6
59.01366	6.6
60.63129	1.4
61.98822	3.0
75.34978	1.5
92.18639	1.9
99.85805	1.2
152.01132	2.1
154.38972	1.5
157.05275	2.4
163.03966	2.0
166.91121	1.5
166.93858	5.6
167.14427	1.5
181.05080	2.2
183.13855	14.1
210.99979	23.3
211.01956	2.2
211.10165	2.7
211.13405	100.0
211.16814	2.8
231.08847	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	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03453	1.3
59.01381	10.3
64.69159	0.8
77.19681	0.8
80.08923	0.6
85.06532	0.7
97.06564	1.8
106.43918	0.8
111.08150	2.7
123.08163	17.0
125.09708	3.6
137.09726	1.2
139.11282	58.0
151.11296	9.5
167.10786	1.2
169.12328	11.1
185.11864	1.6
195.10239	1.7
213.11328	100.0
213.14912	8.4
213.18539	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	213.1132
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
51.84703	3.7
59.01384	4.4
64.73045	4.1
89.79201	3.8
98.03706	4.6
114.93620	46.4
118.10174	4.4
118.11092	5.0
123.90185	9.2
137.06075	4.2
151.11249	100.0
169.12315	21.0
194.99217	5.9
213.01869	24.1
213.11290	29.9
213.14937	21.2
213.18532	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	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.23924	0.5
69.03474	0.7
71.05010	0.8
83.05046	0.7
85.96317	0.6
86.96433	0.6
97.06560	0.8
98.03731	1.2
115.07608	1.3
125.09685	0.9
127.11249	1.3
151.11269	17.7
169.12325	100.0
172.60524	0.6
194.99483	0.8
195.10190	1.4
199.14182	0.6
213.11320	30.6
213.14667	6.1
213.18620	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	214.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42134	1.9
59.01373	3.3
65.64961	2.4
65.69858	2.1
71.01363	2.2
72.00899	15.1
81.03458	5.1
83.04998	4.0
85.02954	2.5
85.69859	2.9
86.02472	3.2
93.03448	5.9
95.05029	3.6
96.04559	3.2
96.96980	2.3
98.02466	11.2
107.05010	56.4
108.02130	9.4
108.04512	2.5
109.02944	15.1
110.03719	10.4
113.54714	2.5
114.05594	4.2
116.05018	3.6
118.06619	12.0
119.04997	62.7
122.03748	4.7
123.04491	12.2
125.06056	2.9
133.05292	2.9
134.06090	21.3
135.04486	16.9
136.07664	98.5
140.01204	3.1
152.07158	11.4
163.03943	4.7
164.07153	32.7
170.08238	3.5
170.10347	2.4
175.57594	2.4
180.06650	100.0
196.06087	5.3
214.00043	2.6
214.05145	4.5
214.07230	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	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.34133	1.1
57.03450	1.4
58.32661	0.9
58.38499	1.0
59.01373	6.2
66.46694	0.9
73.02938	1.5
76.27381	0.9
76.90934	1.1
83.05008	1.1
85.06605	5.1
87.70746	1.0
97.13322	1.0
99.04540	1.5
99.23650	1.2
100.98885	1.0
101.02463	1.1
111.00865	1.9
111.04556	1.2
111.08173	1.6
114.65327	1.0
118.83067	1.0
124.37695	1.0
125.09719	6.8
127.11282	2.6
127.73201	1.0
143.07137	4.3
143.10793	7.1
153.09218	8.8
171.10260	100.0
185.24956	1.1
197.08212	2.0
215.00980	14.8
215.03384	2.5
215.07146	2.6
215.09258	82.5
215.12836	8.4
215.16287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1651
Annotation	11R-hydroxy-dodecanoic acid
Peak:m/z	Relative Intensity
50.40998	0.5
51.33657	0.5
56.76001	0.4
59.01382	100.0
65.99815	0.6
73.23022	0.6
80.29989	0.5
144.24915	0.5
152.86533	0.6
162.68510	0.6
169.16010	0.7
172.79846	0.6
197.11945	0.8
215.00986	8.7
215.12888	2.9
215.14536	1.2
215.16528	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	216.0875
Annotation	CJ 15801
Peak:m/z	Relative Intensity
53.77265	0.9
59.01376	1.6
71.01378	8.9
78.58476	1.3
81.89961	1.2
88.04025	100.0
92.18478	1.7
96.99274	5.4
100.07668	80.9
101.06058	30.3
110.92035	1.1
114.01924	6.3
115.00344	29.6
116.07123	2.7
132.02995	5.2
154.08690	6.6
156.91185	1.6
172.08414	2.5
172.09773	37.3
197.49925	1.2
198.07735	10.2
216.01268	4.3
216.08742	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	217.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
58.02975	1.4
59.01387	8.6
69.03462	1.4
71.01363	1.3
71.04998	2.3
72.99306	26.2
73.02959	1.2
74.02480	1.3
75.00873	0.9
81.03445	6.9
83.01390	1.1
83.05022	42.9
83.05507	1.9
85.02955	5.9
87.00877	5.1
88.04027	5.0
89.02406	1.1
91.07160	0.9
93.03449	2.1
97.02958	4.6
99.04527	3.6
101.02415	2.0
101.07205	1.7
106.67296	0.9
107.28055	1.0
109.02914	1.5
111.00876	4.7
111.04510	49.0
113.02381	6.7
114.01943	2.1
115.00343	1.2
115.03996	22.0
125.02436	1.3
127.00382	1.1
127.04005	100.0
127.07663	1.1
128.03526	5.4
129.01924	3.9
129.05576	10.3
131.04620	3.8
137.02428	7.1
140.49919	1.0
143.03534	1.5
145.06213	4.4
145.09796	1.1
155.03497	89.3
157.01398	1.0
171.02925	3.9
173.04507	8.6
173.09387	2.0
189.04028	3.8
199.02493	51.8
199.07347	1.6
199.11034	1.0
217.03531	38.6
217.06995	3.8
217.08600	2.1
217.10374	0.9
231.35371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03453	8.0
58.04823	0.6
59.01381	11.4
61.28230	0.6
67.05523	2.8
69.03448	0.9
71.01374	0.6
71.05017	0.8
72.99319	1.4
75.00882	1.4
80.85332	0.6
81.36275	0.7
83.05040	0.7
83.99984	0.7
85.02965	4.8
85.06567	1.0
85.91270	0.7
87.04510	69.4
88.04055	0.6
89.04396	0.7
95.05009	1.2
97.06577	3.6
99.04519	1.4
100.07708	0.8
101.06076	4.4
101.07993	0.9
111.04485	1.5
111.08109	1.1
113.06089	2.8
115.04002	1.2
129.05573	5.5
129.09195	0.8
131.03510	2.8
137.02449	1.0
137.09760	8.1
145.02942	8.0
147.04547	0.9
155.07161	1.5
162.73958	0.7
173.05959	0.7
173.10201	1.1
173.11807	1.4
174.99197	0.9
191.03482	0.6
199.06133	7.8
199.08157	1.0
199.09721	8.4
217.00182	1.4
217.07228	4.1
217.10817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03447	1.1
59.01381	3.6
60.32112	0.2
64.94524	0.3
75.32005	0.2
83.71656	0.3
91.46935	0.2
93.15363	0.3
101.01875	0.3
109.18412	0.3
120.43020	0.3
125.74318	0.3
127.11239	0.3
137.09688	2.0
145.06548	0.3
146.54671	0.3
153.09204	0.4
155.10776	35.1
158.03783	0.3
171.10265	41.2
173.09708	0.3
174.99249	1.1
175.11336	0.5
181.08653	0.5
195.82521	0.3
199.09758	5.2
199.85062	0.5
201.09247	0.3
202.02660	0.4
217.10791	100.0
225.81813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.9764
Annotation	4-Nitrophenyl sulfate
Peak:m/z	Relative Intensity
51.14799	0.1
53.57355	0.1
59.01401	0.1
65.05595	0.1
86.37022	0.1
91.89216	0.1
108.02160	1.9
110.71523	0.1
138.01959	100.0
174.05701	0.1
208.59479	0.1
217.97630	7.9
218.04613	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	218.1032
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01371	1.7
62.58751	0.3
66.84819	0.4
67.63151	0.4
71.01375	9.8
71.05009	10.9
84.28871	0.4
85.37448	0.4
88.04026	100.0
92.18434	0.4
99.04523	3.0
116.03533	0.6
116.07156	2.1
117.34344	0.4
121.78692	0.4
129.05568	1.0
146.08218	68.8
146.13232	0.5
148.52010	0.5
218.10324	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	219.0298
Annotation	PURPUROGALLIN
Peak:m/z	Relative Intensity
51.45853	0.1
57.43549	0.1
59.01373	0.9
61.70207	0.1
63.02403	1.5
65.00314	1.1
75.00917	0.1
82.42965	0.1
82.46272	0.1
85.02919	0.2
85.32026	0.1
89.00297	0.2
105.03506	0.1
107.01382	1.0
107.05001	0.1
107.90356	0.1
109.02947	0.5
111.00906	0.1
118.75774	0.1
119.05019	0.2
131.05043	0.3
132.02106	0.3
133.02934	1.4
138.24118	0.1
147.04510	0.8
149.02419	0.9
151.00426	0.4
151.03909	0.3
154.07397	0.1
158.36501	0.1
175.00308	0.2
175.04001	2.0
175.07553	0.2
176.01146	0.7
177.01938	0.9
191.03421	0.3
204.00725	0.2
204.04419	0.2
219.02983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0774
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
59.01382	5.0
61.53108	0.2
61.78372	0.2
64.40948	0.2
69.54755	0.2
73.02949	0.2
74.02499	0.4
75.00877	0.3
78.05436	0.2
86.02500	1.1
90.29675	0.2
90.74324	0.2
92.05077	0.9
99.00893	0.4
120.04539	0.4
128.05006	0.2
129.01932	0.3
130.06622	0.5
131.03709	0.4
132.04553	0.9
134.06114	0.8
137.71716	0.2
144.04518	1.3
146.04854	3.7
157.07698	100.0
159.03087	0.3
175.08751	3.6
198.68916	0.3
201.06659	3.8
219.03011	0.4
219.07707	14.3
219.17433	0.3
219.77502	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	219.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.6
59.01376	11.2
63.58459	0.5
71.01402	0.7
72.00892	10.0
74.02461	34.8
79.95714	0.9
83.05003	2.6
85.02934	0.8
86.02449	5.9
86.28835	0.6
87.04506	0.7
92.05009	0.8
97.02899	0.6
99.00909	0.5
101.06062	0.9
116.05048	0.8
118.06604	2.5
120.99630	0.7
125.06062	0.7
128.42995	0.5
130.06598	2.8
131.01723	5.1
131.03714	2.2
132.04532	69.2
134.05986	0.6
144.04526	71.9
145.05023	0.8
146.04800	0.9
146.23788	0.6
147.04504	0.7
147.09256	0.7
149.06061	0.7
157.07680	58.5
158.06096	9.5
159.10231	3.0
173.07152	1.2
173.11786	3.2
175.02661	0.7
175.03970	4.7
175.08748	22.4
177.27522	0.6
201.06720	6.0
202.05084	0.6
219.07729	100.0
219.12312	20.4
219.17552	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	221.009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81669	0.4
57.81546	0.4
59.01380	39.3
65.00320	0.8
66.35241	0.4
71.01354	0.9
73.02930	2.7
82.45411	0.4
83.01367	0.6
87.00780	0.4
89.03967	4.5
91.01856	0.6
93.03436	0.4
95.05049	0.8
101.02425	3.1
105.03444	1.1
107.01379	0.8
109.02928	0.9
113.02431	0.7
119.91909	0.4
120.67455	0.4
120.99643	0.6
123.04526	2.0
130.04216	1.0
131.05016	6.9
132.02133	0.6
133.02943	32.2
133.06552	0.6
135.00873	11.5
147.04529	0.6
149.02382	0.6
149.06036	2.5
150.03188	0.7
151.00319	3.3
156.31068	0.4
159.04428	0.5
161.00317	0.7
161.04572	3.4
175.04013	0.9
177.01921	100.0
177.05319	5.1
178.02708	1.1
193.05067	1.0
197.77107	0.4
206.02185	0.5
221.00874	18.7
221.04619	3.1
221.11703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0455
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
57.49801	0.4
59.01381	57.7
68.99815	3.4
69.98887	0.3
71.01380	0.7
73.02946	3.0
80.94648	0.4
83.01395	0.4
85.02950	0.8
93.03438	0.6
95.38143	0.4
99.92561	0.4
101.02433	3.9
105.03458	0.7
113.02441	0.7
115.92086	0.5
121.02940	1.5
123.04485	2.0
126.65881	0.4
131.03455	0.6
133.02940	3.4
133.06554	2.9
134.03696	1.8
146.56578	0.4
149.02444	2.8
161.00357	0.9
161.02417	0.6
161.04565	3.4
162.03212	100.0
162.68422	0.4
177.01924	11.3
177.05554	15.6
194.03329	0.4
206.02168	7.7
206.05568	0.4
219.94690	0.4
220.95500	3.5
221.01248	3.4
221.04538	37.6
221.08051	1.3
221.11823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0456
Annotation	2-Hydroxy-4-hydroxymethylbenzalpyruvate
Peak:m/z	Relative Intensity
59.01383	28.9
65.30463	0.2
66.03827	0.2
71.01392	1.0
72.99301	0.3
73.02937	1.3
73.94357	0.2
75.00870	45.3
77.66037	0.2
84.13126	0.2
88.98025	0.2
93.03459	0.3
97.26799	0.2
101.02459	2.3
109.71017	0.3
112.13197	0.2
113.02454	0.4
117.03446	4.7
119.05016	7.5
133.06577	1.1
145.02954	100.0
147.04515	1.3
161.00372	1.4
161.04544	2.7
162.03235	4.7
163.04005	11.6
163.46030	0.2
175.97760	0.2
177.01932	0.4
177.05547	3.7
191.03404	0.3
195.75655	0.2
203.10788	0.3
206.02266	0.5
206.05890	2.1
218.03700	0.3
221.02565	0.6
221.04576	5.2
221.08307	0.6
221.11783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0454
Annotation	6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid
Peak:m/z	Relative Intensity
55.86335	0.6
57.03445	1.1
58.56584	0.6
59.01376	80.9
60.99314	0.7
70.47939	0.6
71.01369	2.5
73.02938	13.2
81.03412	0.6
85.02930	1.3
89.02425	1.1
93.07028	0.6
95.05016	1.4
97.06566	0.8
101.02431	2.7
108.02148	3.5
109.02942	2.6
110.03699	0.7
113.02322	0.7
121.02959	4.4
121.06606	1.0
122.03749	1.0
123.04504	6.2
125.06026	1.2
131.03450	0.9
133.05020	0.8
136.05309	0.9
137.02425	4.5
139.74725	0.6
145.02927	2.4
147.04506	20.2
147.08200	0.8
149.02408	2.9
149.06059	2.4
151.07559	0.9
161.00369	10.1
161.04536	13.9
161.09711	10.2
162.03212	9.1
163.07695	0.8
164.08447	0.8
165.01923	2.9
165.05511	1.2
165.09187	4.7
170.05841	1.3
176.01122	2.8
177.01958	1.2
177.05550	41.3
177.12831	4.1
178.02724	2.4
178.10020	3.0
179.01379	0.8
179.10770	16.1
191.03511	5.5
191.07126	1.1
195.06662	5.8
203.10796	7.0
206.02139	1.5
206.09462	33.1
221.02492	6.6
221.04514	38.8
221.11816	100.0
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	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
50.15226	0.5
57.03455	1.1
59.01383	100.0
69.03466	0.6
71.01381	4.8
72.99300	2.2
73.02941	4.9
75.00875	2.0
80.96532	0.9
81.03481	0.6
83.01395	1.0
85.02933	6.0
85.76514	0.5
87.00867	5.7
87.04522	0.7
88.61703	0.5
89.02454	2.6
97.02956	2.6
99.00887	1.1
99.04509	0.6
101.02445	8.7
113.02432	3.9
115.00421	0.9
115.04019	1.1
117.19730	0.5
125.02439	0.6
125.99575	1.0
129.01949	10.8
131.03508	2.4
133.01414	0.8
141.01941	6.1
143.03470	1.1
159.02977	0.9
161.04593	5.4
195.99681	0.6
203.00246	0.5
203.02031	2.1
203.05682	0.7
221.01184	0.6
221.03131	0.7
221.06670	7.6
221.08572	1.0
228.12869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0818
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
59.01382	51.5
60.27597	0.6
69.03450	47.0
71.05014	100.0
73.02945	3.3
77.03960	0.9
85.02942	0.8
95.07488	0.8
99.04490	1.0
99.66647	0.7
101.02425	1.2
107.05009	4.8
113.02397	1.3
121.02942	53.1
134.03722	26.5
135.04549	0.9
147.00877	14.2
147.08134	4.1
149.09708	15.0
154.05742	0.8
159.54794	0.7
161.00352	5.0
161.04532	4.7
165.01884	3.5
175.07506	1.3
177.09187	28.1
190.99867	0.8
193.08806	1.5
206.05869	1.4
221.02402	1.8
221.08176	46.4
221.11583	1.6
221.15488	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1184
Annotation	Annuionone B
Peak:m/z	Relative Intensity
59.01379	54.8
62.78475	0.5
69.03440	0.7
69.32006	0.4
71.01366	2.0
72.46771	0.4
73.02941	4.5
85.02938	0.6
89.02414	0.4
93.07088	0.5
95.05024	0.7
96.72279	0.4
101.02420	2.9
103.60127	0.5
108.02153	2.6
109.02944	2.6
109.06562	0.6
110.03736	0.7
111.08115	0.4
111.09202	0.4
113.02416	0.5
119.17007	0.4
121.06555	0.8
122.03706	0.8
123.04509	7.1
125.06080	0.9
131.03476	0.8
138.06778	0.5
147.04459	0.9
149.06062	2.0
151.07657	1.7
161.04581	6.1
161.09686	10.9
162.03130	0.7
163.07652	1.0
165.05556	2.5
165.09175	4.4
170.05807	0.9
177.01956	0.6
177.05531	4.9
177.12846	3.3
178.09975	5.3
179.10768	18.2
191.07176	1.0
203.10782	4.4
206.02306	0.5
206.09476	35.6
221.04547	5.0
221.11823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0403
Annotation	4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate
Peak:m/z	Relative Intensity
52.99557	0.6
59.01376	13.4
60.01705	3.1
74.99094	0.9
86.10309	0.7
87.00872	0.8
102.02321	0.8
106.02985	1.2
108.04533	8.0
117.25497	0.6
118.84324	0.7
119.03561	0.7
122.02399	0.7
132.04536	4.5
134.02470	21.1
134.06122	4.0
139.82988	0.7
148.04085	0.8
150.05586	62.4
159.03267	3.1
160.04024	92.9
162.01952	100.0
176.03540	9.0
178.05045	5.9
196.56233	0.7
222.04100	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	222.0769
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
56.95079	0.9
58.02970	100.0
59.01375	19.7
60.01702	4.3
61.53782	0.9
66.24119	1.1
67.51391	0.9
69.61811	1.0
72.13358	1.0
72.85493	0.9
73.02979	0.9
79.32018	1.0
89.02393	1.4
107.83440	1.0
109.06416	1.1
119.05000	95.6
120.04491	1.5
123.90181	21.1
134.06093	1.8
135.91914	1.2
150.05595	9.9
160.04001	16.9
162.01999	11.6
162.05634	19.4
171.13582	1.1
176.03455	2.5
178.05048	2.0
180.06650	54.7
202.84332	1.0
214.16718	1.0
221.80061	8.3
222.04243	3.4
222.07697	65.3
222.09866	2.4
222.32898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48304	1.1
52.77195	1.2
57.03437	2.3
59.01378	24.6
59.12589	1.2
61.84661	1.2
69.23313	1.2
71.01374	3.6
72.99293	21.8
73.02956	2.0
75.00856	3.5
81.03433	8.5
85.02942	23.4
87.00842	2.7
89.02428	2.5
97.02930	2.2
99.00858	16.1
101.02364	4.9
103.00366	7.2
103.05948	3.0
111.00849	7.4
113.02419	7.8
117.01871	1.4
125.02422	43.7
129.01929	50.1
129.03880	6.7
133.01442	3.4
143.03470	8.3
145.06183	2.8
147.03000	25.0
147.04948	12.9
149.04509	3.1
165.04053	3.4
172.86278	1.5
197.83067	1.8
205.03511	37.9
212.13571	1.7
223.04581	100.0
223.07970	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	223.0613
Annotation	Sparanone A
Peak:m/z	Relative Intensity
53.04197	0.4
53.08167	0.4
59.01388	3.5
59.01629	0.6
61.67716	0.5
61.74013	0.5
64.35876	0.4
95.01353	0.5
109.02911	0.8
123.00859	0.9
124.88039	0.5
135.52943	0.6
137.02403	2.6
138.03220	0.9
144.30878	0.5
151.00227	0.6
153.05571	1.9
165.01878	4.9
193.01419	57.8
207.03009	1.9
208.03778	100.0
223.06123	43.6
223.09644	0.9
223.13290	0.8
224.87381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.061
Annotation	Sinapate
Peak:m/z	Relative Intensity
51.66921	1.3
59.01373	50.0
59.21437	1.3
69.41434	1.3
75.29543	1.5
76.82349	1.3
93.91454	1.3
99.00863	12.4
103.81345	1.7
108.02131	19.6
117.03405	6.2
118.04298	2.0
119.04998	100.0
120.98792	1.5
121.02938	11.1
123.00884	1.9
123.04511	34.6
132.05788	3.3
133.03006	1.8
133.06567	26.1
135.04478	3.3
136.01659	3.2
138.03188	1.5
141.01686	10.6
145.02927	73.2
147.04500	2.7
150.03166	2.9
151.04033	10.9
151.07645	2.0
161.06059	78.1
162.03271	1.8
162.99899	25.6
163.03998	31.0
164.01201	1.9
164.04756	19.4
165.01920	6.8
166.02643	2.5
177.05556	3.1
178.02687	3.2
179.03447	6.5
179.07086	11.3
181.00945	2.8
193.01366	1.7
193.05016	2.1
205.05058	39.8
208.03799	10.4
223.02206	26.5
223.06110	78.0
223.09763	7.4
223.13390	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	223.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52826	1.9
54.15152	2.5
54.22492	2.0
54.57021	2.8
55.68780	2.2
57.08061	2.4
59.01377	95.0
80.53699	2.8
92.18358	3.7
97.92406	2.3
101.38825	2.5
111.00058	13.9
119.95145	45.4
123.90213	15.5
125.89973	5.8
128.27644	2.9
141.01698	30.1
156.54967	2.5
162.99855	4.2
163.94106	29.7
165.01100	4.1
208.03728	4.7
223.08942	100.0
223.79858	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	223.0972
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01372	12.6
59.55153	1.8
71.01374	5.0
72.41989	2.5
73.62158	2.1
74.18196	1.9
74.56143	2.4
81.03433	2.6
92.10905	2.1
95.05035	3.1
97.02968	3.3
105.07093	2.9
108.02174	10.8
109.02950	3.5
109.06552	3.6
111.04496	2.7
113.06094	4.3
119.05006	20.3
119.95160	4.4
123.04514	32.4
123.08103	15.5
125.06068	10.9
127.80575	1.9
128.26712	2.2
133.06654	3.0
134.00850	2.1
136.05264	2.4
138.06847	4.8
139.07640	29.7
145.02954	12.8
149.06012	2.6
151.07632	51.4
152.04768	3.0
152.08395	4.3
153.09241	9.4
161.06093	15.0
161.09708	77.8
163.03964	7.7
163.94141	2.6
164.08412	54.0
167.03464	2.2
179.03436	2.9
179.10745	100.0
193.05074	3.4
205.01428	3.9
205.05084	8.8
208.03796	2.6
223.02524	4.4
223.06238	17.6
223.09724	58.8
225.27078	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	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
59.01385	27.8
69.03450	5.1
123.04536	1.3
135.11823	1.4
141.01701	6.4
149.09666	1.4
167.10764	9.0
179.10756	7.0
179.14417	11.6
193.01555	1.7
195.13940	27.5
205.12349	21.5
208.03798	1.8
223.02884	19.5
223.06123	1.6
223.13416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1704
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
59.01393	5.7
62.60102	0.8
66.09891	0.8
73.51826	0.7
73.91717	0.7
77.44569	0.7
78.24696	0.7
79.88625	0.6
83.84072	0.7
84.58041	0.8
87.59949	0.7
111.25535	0.7
129.61038	0.8
203.77902	0.8
205.16003	5.6
223.17049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0405
Annotation	Chorismate
Peak:m/z	Relative Intensity
50.31100	1.1
54.57796	0.9
59.01378	2.6
65.57079	1.0
74.54176	1.0
93.03426	2.1
94.43652	1.1
95.01398	1.2
95.05007	1.5
96.95997	4.6
102.25100	1.0
107.05029	1.4
108.02178	5.4
109.02931	2.2
121.02931	8.4
122.03733	2.2
123.00890	6.2
123.04494	2.0
124.01649	7.4
125.02455	1.6
136.01659	2.6
137.06097	1.7
138.03156	1.2
139.00386	1.6
149.02435	16.7
149.53947	1.4
151.04015	5.6
152.01141	10.8
153.01964	8.6
153.05630	1.3
163.07584	1.3
165.01889	2.1
166.02699	13.2
166.99815	2.5
167.03528	2.0
167.68596	1.1
168.00700	1.2
177.05612	1.9
179.03494	5.5
180.00610	4.7
180.04326	1.6
181.01561	1.2
181.05055	39.1
181.12344	1.4
182.02217	2.6
195.03011	3.9
197.04396	1.2
206.99316	1.3
207.03044	4.8
207.10239	5.6
210.01697	41.1
225.04048	100.0
225.07777	9.5
225.11343	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	225.0403
Annotation	Chorismate
Peak:m/z	Relative Intensity
50.55954	0.3
52.24261	0.4
55.30838	0.3
56.06054	0.4
57.30847	0.3
59.01359	0.6
68.99802	0.7
87.09122	0.4
93.03445	0.7
95.60587	0.5
105.03450	1.7
107.04987	0.7
108.02146	1.0
109.02934	2.1
109.06571	1.7
119.04980	0.8
121.02911	1.6
122.03709	3.6
123.00879	0.7
123.04500	2.3
125.02431	0.6
135.00882	2.5
136.01627	1.9
137.02446	4.2
137.06076	5.4
148.01608	1.5
149.02444	4.3
151.04025	0.6
153.01939	1.7
153.05545	1.0
163.03998	2.0
163.07593	0.5
163.11330	0.6
165.01874	0.7
166.02692	100.0
167.03525	0.5
181.01450	0.8
181.05031	15.5
181.08519	0.5
181.12299	1.8
195.03159	0.5
207.02968	1.4
207.10274	3.5
210.01688	6.4
215.54303	0.4
225.00409	3.7
225.04030	57.5
225.07628	1.8
225.11246	3.9
225.14764	0.5
225.16447	0.5
225.18555	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	225.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01367	1.2
61.63629	0.2
72.99277	0.3
74.64579	0.2
75.00859	100.0
82.65603	0.3
91.01888	0.7
92.18970	0.3
93.03436	0.5
107.04996	0.3
108.02174	1.2
121.94980	0.5
123.04501	13.9
127.48138	0.3
152.01141	1.2
153.53668	0.2
167.03474	44.2
180.04259	0.4
181.01358	0.3
192.93474	0.2
225.00587	0.5
225.04056	5.7
225.07683	0.5
225.11362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0769
Annotation	Ficusol
Peak:m/z	Relative Intensity
64.38948	0.7
68.98765	0.7
71.03235	0.6
75.00861	6.2
78.01019	0.7
86.70374	0.7
93.03437	1.8
96.95995	1.7
109.02950	1.8
121.02934	8.4
121.06579	1.3
123.00811	1.4
123.04506	0.8
130.02740	0.7
135.04587	1.0
137.02446	4.6
137.09724	6.1
140.08801	0.8
151.04018	5.0
153.05553	1.8
163.07716	0.7
163.11293	1.3
165.01935	28.2
166.06351	66.8
166.99915	1.0
167.03432	3.8
177.02049	1.0
180.04283	100.0
181.05075	6.3
181.08730	9.7
182.02237	4.1
195.03000	29.6
195.06636	98.6
207.02954	3.5
210.05342	79.9
225.00583	1.5
225.04037	7.4
225.07695	89.3
225.11339	5.7
225.18602	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	225.1131
Annotation	Cladospolide D
Peak:m/z	Relative Intensity
50.58102	1.0
54.22634	1.0
57.03450	53.8
59.01380	100.0
71.80282	1.3
75.00854	2.0
79.05542	1.1
80.99626	1.2
83.05017	19.5
85.61415	1.1
93.03439	2.2
97.06627	1.7
105.03452	1.5
109.06557	1.8
120.07925	1.4
121.02921	2.7
123.04503	2.8
123.08149	15.5
137.09706	2.0
145.10249	2.8
147.08185	2.1
149.02423	2.3
150.03210	8.4
151.66623	1.6
163.07631	1.4
163.11320	5.1
165.09198	2.9
166.02708	9.5
178.02682	2.4
181.08696	2.6
181.12302	2.4
182.02162	2.3
193.05051	2.5
193.41026	1.3
194.05740	1.2
195.02965	12.8
207.10182	2.5
207.72037	1.3
210.01767	2.8
210.05354	29.1
225.04112	11.2
225.07777	26.0
225.11308	57.5
225.18552	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	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
54.15477	0.2
55.83088	0.3
59.01387	1.3
67.17754	0.3
75.85874	0.3
76.40092	0.3
87.10674	0.3
93.03476	0.5
97.02942	4.9
99.00874	3.1
109.06596	2.0
110.03736	2.4
125.09740	1.6
125.27911	0.3
135.08209	0.5
136.05324	0.4
136.17410	0.3
142.02736	0.7
153.12712	0.4
163.11285	10.1
181.12363	32.6
189.09142	0.4
197.11887	1.3
207.08253	0.8
207.10281	64.2
225.11339	100.0
226.49481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
55.35520	0.4
59.01371	0.7
106.04092	3.1
116.85210	0.5
156.05623	1.0
157.05168	0.7
159.06720	2.0
169.47318	0.5
171.06726	0.9
185.07100	1.8
198.07898	2.9
225.08998	1.9
225.18611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1862
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
50.52291	0.4
51.16634	0.4
51.56301	0.4
59.01398	3.7
74.04161	0.5
81.04520	0.5
97.48327	0.5
97.89080	0.5
100.00002	0.6
130.63930	0.5
201.43147	0.6
202.59166	0.6
207.17447	0.7
225.18604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0928
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
54.54427	0.7
55.78968	0.7
58.88152	0.7
59.01371	0.8
61.55885	0.8
69.35114	0.9
72.32066	0.7
72.80451	0.7
72.99306	100.0
75.00879	6.3
76.34638	0.7
79.95723	3.1
107.05028	1.3
109.03000	1.2
121.02881	0.9
123.00880	0.9
125.06102	1.0
126.29189	0.8
138.98654	1.1
139.07608	6.0
145.61757	0.7
151.04031	0.9
151.07639	4.6
152.08453	5.6
153.09235	3.1
165.09203	6.4
183.03008	0.9
183.10280	1.6
183.13792	0.9
184.00229	0.8
199.43021	0.8
209.04575	1.6
209.08253	4.1
209.11894	1.2
212.03239	0.9
227.00070	1.2
227.02159	1.4
227.09264	64.7
227.12779	2.1
227.16739	8.1
227.20168	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48409	0.6
57.90804	0.5
59.12186	0.6
62.36972	0.6
63.27335	0.5
71.47120	0.7
83.05019	3.3
85.06578	8.6
95.05026	0.8
97.06574	3.5
125.09800	0.8
137.09726	3.0
139.11285	100.0
151.04556	0.7
165.09282	0.9
165.12805	1.0
183.00502	1.0
183.10260	36.6
199.13416	1.0
209.11865	15.9
227.03195	1.5
227.09294	1.3
227.13026	5.6
227.16884	7.2
227.20174	93.3
238.37630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Herbarumin I
Peak:m/z	Relative Intensity
56.86026	1.2
57.59246	1.6
59.01384	1.9
61.92226	1.3
66.42007	1.5
92.19135	2.2
105.09476	1.4
111.08163	3.2
165.12866	28.2
170.54529	1.6
183.13954	35.9
199.13583	1.8
200.87248	1.5
203.00111	1.9
209.11888	29.7
227.12918	100.0
227.16434	11.6
227.20178	78.3
236.71368	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	227.1398
Annotation	Leucylproline
Peak:m/z	Relative Intensity
53.68008	0.8
57.16354	1.0
59.01380	7.5
59.03540	1.3
66.03487	1.7
69.88558	1.1
79.94086	1.0
80.96489	1.5
82.06603	21.9
83.01369	1.0
84.08168	2.6
96.04511	1.6
97.06574	1.3
105.25276	1.0
107.05039	1.3
109.02936	1.6
111.00882	1.6
112.07655	6.9
114.05573	67.1
116.26292	1.1
121.06519	1.1
123.00822	2.1
123.08160	1.5
124.01683	1.7
125.02440	1.7
131.35075	1.1
137.02397	1.4
139.04030	4.0
139.07678	2.2
151.00336	5.7
153.01988	1.9
153.40262	1.1
164.01099	6.2
165.01923	1.7
179.03477	4.2
182.02258	2.0
183.03073	1.7
183.06636	1.4
183.11360	4.9
183.15036	2.5
197.00865	2.0
197.04495	12.5
208.93336	1.2
209.00932	5.0
227.01984	2.4
227.05714	8.7
227.09192	5.9
227.14003	100.0
227.20102	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	227.2019
Annotation	Myristic acid
Peak:m/z	Relative Intensity
75.39851	0.3
76.63921	0.3
79.84917	0.3
99.96294	0.3
107.49831	0.3
153.27902	0.4
227.20189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0505
Annotation	2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid
Peak:m/z	Relative Intensity
50.59077	1.6
53.72739	1.8
59.01375	3.5
77.29347	1.8
79.67991	1.6
89.39594	2.3
90.49592	1.6
94.36778	1.9
95.26434	1.9
99.08160	3.4
119.89576	1.9
129.09203	22.9
155.05063	4.5
157.06564	100.0
163.66786	1.8
167.14388	7.7
171.04553	3.8
173.06090	3.4
174.58624	2.3
183.04398	2.9
185.06059	12.1
185.11833	2.6
199.04137	2.4
201.05632	18.0
211.13458	2.8
214.02682	7.1
215.03525	26.1
216.18822	2.1
229.05110	21.4
229.10771	2.8
229.14476	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	229.108
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
57.03443	2.0
59.01367	0.9
63.20093	0.4
69.03464	0.7
75.00868	0.8
79.68776	0.4
92.30569	0.5
125.09730	3.9
127.11270	0.9
139.11261	0.7
141.12846	5.0
155.10780	1.0
166.02019	0.4
167.10744	4.1
185.02379	0.6
185.11819	100.0
201.11314	2.6
211.13411	0.7
229.10802	17.9
229.14325	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	231.0773
Annotation	13113-08-1
Peak:m/z	Relative Intensity
52.21199	0.8
58.02950	5.4
58.81222	0.9
59.01369	11.7
63.54791	1.0
69.10232	0.9
71.01358	1.9
72.00907	7.6
72.99294	2.4
73.02910	1.9
74.02467	7.5
78.26920	1.1
84.00872	8.8
87.04473	1.8
95.95171	1.1
99.15730	1.1
102.01957	46.0
107.04990	4.9
111.04492	2.6
116.05037	23.6
127.04052	1.2
127.07563	1.3
129.05667	1.4
129.09305	1.2
130.06584	9.4
142.06610	8.2
143.07056	1.3
144.04553	9.9
151.03979	17.2
151.07573	1.5
153.05736	1.1
156.95496	2.4
158.06044	5.6
160.07657	17.0
161.02440	1.3
169.07616	5.8
170.06001	2.7
171.06641	1.1
185.05640	2.4
186.05423	1.5
187.08705	30.2
203.08191	4.4
213.07512	1.4
230.99785	9.6
231.07663	100.0
231.12317	5.4
240.56740	1.0
240.75963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1237
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
52.33106	0.5
58.46090	0.5
59.01381	25.0
72.99278	0.8
75.00866	8.1
92.18949	0.8
115.22079	0.6
127.11308	1.2
151.11264	3.4
161.52063	0.6
169.12323	32.4
171.10255	100.0
185.11961	0.6
213.11308	11.4
231.12361	81.0
254.94737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
59.12436	0.7
71.05026	17.6
73.02936	0.9
87.92524	1.1
99.04528	4.1
116.07190	3.9
146.08240	100.0
184.29335	0.9
220.39206	0.9
232.11891	1.5
246.00310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0455
Annotation	Ancistroquinone B
Peak:m/z	Relative Intensity
58.77224	0.8
59.01394	7.4
67.14087	0.9
83.42665	1.0
92.18451	2.3
105.04367	1.1
134.03699	2.6
142.00311	1.1
145.06911	1.6
153.03909	12.5
162.03223	57.4
174.03310	1.3
177.01964	1.5
177.05647	1.4
189.05579	8.3
190.02725	100.0
205.05069	77.9
205.07004	2.6
207.04254	1.0
218.02223	6.6
223.51451	1.1
233.04547	32.4
233.15453	6.5
254.07402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1028
Annotation	ascr#11
Peak:m/z	Relative Intensity
52.97440	0.6
57.03442	1.3
59.01374	65.6
69.03410	1.0
71.01353	2.0
71.05010	4.1
73.02926	1.9
75.00844	1.8
80.96481	1.3
83.01382	3.4
83.04993	3.3
85.02926	2.0
85.06583	1.3
87.04494	1.5
93.03423	6.8
95.05013	4.5
95.39037	0.7
99.04485	1.4
101.02425	5.6
101.06091	2.7
109.02959	1.2
113.02437	1.4
113.06053	9.7
113.09712	1.3
115.03992	3.6
125.06048	1.6
125.09712	4.1
127.03989	1.7
129.05519	1.5
131.03461	3.0
132.86780	1.2
134.86523	3.9
135.04485	1.2
135.08122	3.7
143.05249	0.9
143.10753	3.2
145.05025	14.4
145.06615	9.4
147.06586	1.8
151.03981	1.8
153.09184	11.7
155.07137	1.4
157.92848	0.9
161.02390	4.8
169.08643	3.9
171.10246	9.4
173.08188	6.6
187.09761	9.8
188.98506	3.4
188.99977	1.5
189.01849	1.7
189.05524	4.5
189.11258	0.8
197.08241	2.0
215.09230	17.8
232.03883	1.0
232.97334	1.5
233.10284	100.0
233.15297	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	234.0982
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
52.73964	0.5
57.17962	0.4
59.01382	1.4
59.65337	0.4
62.26232	0.6
71.05012	7.1
75.70583	0.6
86.02493	4.1
86.02907	0.5
87.00871	3.7
99.04496	1.2
100.15412	0.5
104.03529	87.2
130.03300	1.1
132.03014	2.9
134.95093	0.6
146.04552	0.9
146.08215	11.6
147.06650	0.8
188.09268	5.7
234.09808	100.0
249.10022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0247
Annotation	Methylspinazaline
Peak:m/z	Relative Intensity
59.01105	1.0
59.01378	13.3
63.29441	0.5
69.86472	0.5
71.74109	0.5
72.46104	0.4
78.61772	0.6
108.02142	1.3
132.02122	0.6
139.99391	0.5
142.06055	0.6
147.08165	0.6
148.01630	0.6
151.00319	0.6
176.01132	24.3
198.88870	0.5
220.03981	0.6
235.02464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0609
Annotation	7-Hydroxy-3-methoxypereflorin
Peak:m/z	Relative Intensity
59.01375	8.1
64.32854	1.1
66.71513	0.7
72.50993	0.9
85.02930	1.0
92.18961	2.1
134.86505	0.9
136.86319	0.8
146.03700	1.4
161.02379	1.0
161.06026	2.2
163.03830	1.0
175.04085	1.0
176.01163	1.4
176.04745	6.9
191.03566	1.2
191.07094	1.4
192.04262	1.8
205.05020	4.1
220.03740	100.0
235.02461	2.1
235.06087	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	235.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.3
59.51417	1.6
59.56469	1.6
72.00888	16.2
72.90270	2.0
72.99282	1.9
79.71198	1.8
79.95706	2.1
86.02458	22.3
87.05615	60.3
91.05519	4.4
92.05003	12.2
93.03439	2.8
116.05060	3.3
118.02948	4.1
118.06601	6.7
119.04960	4.1
120.04524	7.5
121.02942	3.9
128.05034	11.4
129.05811	2.5
130.05603	2.8
130.06593	81.0
131.03740	78.8
131.04939	3.4
132.04507	7.4
134.06075	2.9
144.04515	44.5
146.02411	3.1
146.06079	41.3
147.03188	3.0
147.04503	26.2
147.09297	1.9
148.04027	71.1
152.82664	1.9
154.05325	19.5
155.06128	40.6
155.07387	2.4
156.06915	6.4
157.05315	1.9
157.07712	14.3
159.02969	2.5
160.04007	24.8
161.01201	4.3
161.05997	3.0
162.01981	3.5
162.05676	2.7
163.03970	3.3
164.07190	12.2
172.04018	3.2
173.05948	1.8
173.07201	22.2
174.05563	100.0
175.02769	12.5
176.01097	10.6
189.01904	2.5
190.05069	54.8
191.03510	14.5
191.08330	20.2
207.01242	1.9
213.01878	1.9
217.06133	8.2
218.04605	2.9
235.02449	14.9
235.04659	3.9
235.07245	60.2
235.10806	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	235.1702
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
50.06401	1.2
51.13885	1.2
55.98242	1.1
56.28875	1.1
59.01382	12.1
61.94143	1.2
66.52921	1.2
74.72064	1.4
80.51457	1.4
92.19127	2.3
94.10248	1.2
98.53856	1.5
107.25334	1.5
125.96792	1.4
163.05402	1.4
181.47435	1.7
193.15958	3.3
235.17023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14021	0.2
51.05513	0.3
59.01382	1.7
62.33375	0.3
63.56100	0.3
66.44506	0.3
71.01379	14.0
75.73742	0.3
80.96517	0.5
85.43790	0.3
85.99077	0.3
87.00870	0.3
108.02167	6.1
115.00362	8.5
119.04969	0.5
121.02946	100.0
123.00880	1.4
123.04511	9.3
124.01626	1.7
136.01677	1.4
145.02925	1.4
149.02435	1.2
152.01031	0.4
163.03969	0.8
167.03490	1.4
178.02692	1.2
192.04288	8.5
193.05067	2.1
193.08687	0.7
204.04330	0.4
207.06619	16.0
222.05325	6.3
237.04207	2.3
237.07690	16.9
237.11343	0.6
251.12090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99572	1.5
59.01365	10.2
59.24716	1.6
61.01144	6.0
61.13121	1.4
66.13358	1.3
71.01373	17.7
72.99274	6.7
73.01134	2.9
74.99061	7.4
75.00851	7.1
80.96481	6.6
82.58124	1.3
82.60168	1.3
83.04958	1.4
85.02918	7.4
86.99070	2.1
87.00853	93.1
87.02721	40.2
88.01304	1.4
89.00626	2.6
89.02393	2.9
90.98571	36.8
99.00845	2.1
101.02403	1.6
102.78925	1.3
102.98573	2.5
103.02168	3.2
105.00138	96.5
105.03783	92.5
108.32532	1.4
109.02903	2.6
114.99680	2.0
115.00360	38.6
120.99626	84.9
121.02904	7.0
129.01912	17.0
131.01651	8.2
135.01187	23.9
136.99135	1.5
148.99106	2.4
149.02751	100.0
149.06026	5.5
164.89482	7.7
175.04237	14.6
179.00156	16.3
193.01706	39.9
193.05243	7.1
219.03229	9.2
237.00742	15.3
237.04248	81.3
237.06096	6.9
258.11429	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	237.0613
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
53.23272	0.1
57.03441	1.9
57.38892	0.1
59.01374	0.8
60.72550	0.1
71.01371	0.4
72.99316	0.1
78.95892	0.3
85.02939	1.8
87.00858	100.0
87.04489	0.3
89.02409	0.2
97.62688	0.1
99.00847	0.1
100.73621	0.1
101.02402	0.1
111.00854	0.4
116.30262	0.1
120.99622	0.1
127.05083	0.1
129.01920	13.1
136.49092	0.1
141.01871	0.1
145.06151	0.3
154.91554	0.1
159.02939	0.1
219.05089	0.9
237.06129	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	237.0615
Annotation	3-Deoxyoctulosonic acid
Peak:m/z	Relative Intensity
52.00672	0.3
52.67980	0.3
55.77539	0.3
56.92606	0.3
57.03447	1.7
57.19130	0.3
57.27597	0.3
59.01387	1.3
67.63253	0.3
71.01378	0.6
72.99299	1.9
75.00871	0.8
85.02946	4.6
87.00866	100.0
89.02446	0.7
97.02919	0.4
99.00879	0.4
101.02431	0.5
117.01989	0.4
129.01923	16.7
141.01994	0.4
147.02994	2.3
219.05101	0.5
237.06136	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	237.0768
Annotation	10-Norparvulenone
Peak:m/z	Relative Intensity
53.31934	0.6
56.05865	0.7
59.01392	5.9
64.29990	0.7
71.01389	0.8
75.00858	3.9
80.96523	0.9
101.02468	0.9
117.03386	0.9
121.02939	4.6
130.12469	0.8
132.25246	0.8
137.02429	1.0
147.04463	0.8
149.02412	3.8
149.06079	3.2
151.07625	1.9
159.04504	3.0
160.05276	22.5
174.03207	1.3
175.07611	6.4
178.02690	1.7
189.05515	4.4
192.04330	4.5
193.01500	0.9
193.05103	1.6
193.08670	1.8
194.02135	1.4
204.04272	100.0
207.06601	1.1
219.06599	36.6
222.01802	0.8
222.05341	6.3
234.52902	0.8
237.00407	1.4
237.04115	6.7
237.07631	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	237.077
Annotation	1-O-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
57.15015	0.2
59.01382	2.1
70.58516	0.2
71.01385	16.7
75.06555	0.2
80.96535	0.2
82.16814	0.2
89.02458	0.9
91.03993	1.6
115.00374	9.3
117.03472	3.0
118.04253	0.8
118.28947	0.2
119.05025	26.0
121.02955	100.0
123.04540	0.2
136.00031	0.2
145.02962	44.0
147.04591	0.2
152.01167	0.2
162.03239	0.2
163.04021	11.3
165.05602	0.3
167.03545	1.3
193.08685	0.3
218.97285	0.2
219.10249	0.2
222.05440	0.3
237.07709	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	237.0769
Annotation	1-O-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
59.01381	6.7
76.37048	0.4
90.90393	0.5
93.03447	1.0
117.03453	8.1
118.04287	3.7
119.05012	47.8
121.02952	7.9
123.04516	2.4
131.05020	2.1
132.05786	8.5
133.02931	0.7
133.06589	41.3
137.09740	1.7
145.02945	78.8
146.03761	0.5
147.04526	1.0
160.06825	0.4
161.06078	100.0
162.03197	4.1
163.04007	11.4
164.04832	0.6
175.04002	0.6
177.05562	27.3
178.06509	0.5
179.07129	1.9
183.14134	0.5
205.05067	41.5
219.06584	0.6
237.07681	40.1
237.11508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1131
Annotation	Stachyline D
Peak:m/z	Relative Intensity
52.23567	0.2
57.49272	0.2
59.01373	1.1
60.59266	0.2
63.47494	0.2
73.02940	2.7
75.00845	0.4
87.04496	3.7
89.06075	7.0
95.08651	0.3
95.56058	0.2
108.02148	0.5
111.74744	0.2
114.44592	0.2
121.02932	5.3
121.06577	6.2
123.04546	0.3
134.03716	6.9
134.05376	0.2
137.09705	100.0
148.01613	0.4
149.02391	0.6
149.06047	7.2
150.03178	1.9
155.44647	0.2
164.04788	0.4
165.05563	0.4
165.09149	0.4
175.11284	2.5
177.05560	0.3
178.02692	1.3
193.05031	1.3
193.12341	1.2
194.98187	1.5
222.01973	0.3
237.03966	1.7
237.07646	5.1
237.11259	6.0
242.51894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03184	0.7
57.03448	11.7
59.01381	11.0
59.46132	0.3
65.34061	0.4
70.72742	0.4
83.05022	2.2
92.18285	0.6
109.06578	0.7
129.67682	0.3
130.49178	0.4
132.57358	0.4
135.11862	0.4
139.11307	0.4
167.10742	3.9
177.12868	0.8
179.10742	3.2
193.15982	2.1
193.18341	0.4
195.13918	5.5
216.14075	0.4
219.13907	0.7
236.97018	0.5
237.14963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58707	0.1
62.79225	0.1
69.64697	0.1
70.81206	0.1
71.01382	0.1
71.05000	0.2
71.26630	0.1
72.87225	0.1
79.12545	0.1
87.00877	0.1
92.60847	0.1
94.87394	0.1
106.02962	0.5
108.02145	1.0
112.00372	0.6
120.04413	0.1
122.02431	1.0
125.02419	0.8
132.04530	2.9
134.02458	15.4
135.15054	0.1
146.08189	2.2
148.04025	1.3
150.03177	0.2
151.03986	1.6
152.03499	0.2
172.68236	0.1
175.02718	0.2
176.03500	100.0
183.07271	0.1
206.95992	0.1
238.03554	1.1
238.07419	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	239.056
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
59.01382	1.7
62.26199	0.7
64.21913	0.9
66.87002	0.7
87.00859	1.2
93.07355	0.7
108.02157	1.6
112.29117	0.7
123.04486	1.8
136.01640	40.1
150.03203	100.0
151.03984	97.8
165.05545	46.6
165.06958	1.5
177.05478	0.9
179.05582	1.5
180.04282	21.2
190.99541	0.8
194.02254	6.7
195.06584	3.8
199.59874	0.8
209.04533	85.5
224.03191	5.4
239.05586	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	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01374	34.5
59.24983	0.6
69.03456	1.5
71.01365	16.4
72.99290	4.9
73.02934	3.9
74.99017	0.6
75.00847	1.4
76.19081	0.7
78.95898	1.0
81.03451	1.2
83.04991	1.5
85.02934	34.9
85.67665	0.6
87.00862	5.7
89.02427	16.7
97.02932	1.2
99.00865	1.6
99.04486	2.8
101.02425	8.5
105.01890	1.0
111.04492	7.9
113.02431	4.8
115.04007	2.8
117.01945	1.0
125.02406	1.4
127.04003	0.7
129.01913	3.1
131.03482	26.6
143.03453	0.8
149.04541	2.7
161.04536	15.6
165.04002	8.5
178.96085	1.4
179.05592	26.4
185.98154	0.9
221.06639	100.0
239.07701	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	239.1285
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.71996	0.6
59.01382	10.2
70.95195	0.5
72.74778	0.6
75.00887	0.7
89.02449	0.8
101.06031	5.1
106.04073	1.1
109.06555	3.8
111.08125	4.1
114.33518	0.6
132.48297	0.6
139.04010	3.5
144.66885	0.7
154.05089	0.9
154.06331	25.0
161.04608	1.2
167.14391	8.8
179.05618	9.1
179.10794	3.5
182.05803	2.8
195.13887	100.0
220.98343	0.7
223.02843	3.1
239.12848	7.2
239.16519	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	239.1285
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
53.90137	0.6
59.01371	7.7
71.01369	0.9
85.02946	0.8
87.00852	0.7
87.97318	0.6
89.02428	0.9
137.09695	57.6
149.09677	1.2
151.11253	1.1
167.14447	1.2
179.05592	6.4
199.48059	0.7
239.12862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2013
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
50.06031	0.8
51.82391	0.7
53.25097	0.8
57.13572	0.7
57.59387	0.9
59.01389	7.2
69.97267	0.8
91.40271	1.0
106.04085	11.5
157.05122	1.1
199.08667	1.5
212.09393	1.8
239.20134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0664
Annotation	N-Benzoylanthranilate
Peak:m/z	Relative Intensity
59.01373	1.9
63.24839	1.0
67.03638	1.2
74.41254	1.2
84.41315	1.3
90.32250	1.2
92.05051	2.2
92.32190	1.1
94.47714	1.3
98.02454	1.4
101.85633	1.3
118.02960	6.9
133.01035	1.3
168.08145	1.8
194.06079	7.8
196.07663	100.0
196.14311	1.7
208.64549	1.5
240.06653	56.7
240.09047	2.5
258.81592	1.2
259.00986	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	240.9688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54650	5.6
59.01372	100.0
100.82434	6.2
101.88392	6.1
116.48420	6.7
154.65692	7.6
156.96187	15.3
174.19035	7.2
180.96201	8.8
238.86848	7.1
240.98392	11.6
241.18036	42.4
241.21658	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	240.9811
Annotation	7-Hydroxycoumarin sulfate ester
Peak:m/z	Relative Intensity
50.91408	0.5
54.18153	0.5
59.01374	30.5
64.80046	0.5
68.36886	0.5
78.04850	0.5
83.05066	0.6
85.06783	0.5
108.87881	0.5
109.06529	0.6
117.69646	0.5
125.06110	0.6
135.08148	0.6
137.06067	0.8
137.09708	0.5
138.03204	0.6
145.06183	2.1
152.08395	1.2
153.09227	0.9
155.10779	3.8
161.02420	100.0
167.07074	5.8
172.65283	0.6
179.10785	0.6
188.53824	0.5
196.97827	1.1
197.08092	0.6
197.11755	0.6
199.28033	0.5
208.14519	0.5
223.13576	0.7
226.06354	0.8
240.86975	0.6
240.98190	12.6
241.07173	2.3
241.10730	5.4
241.14421	3.0
241.17995	3.1
241.21712	27.9
246.05659	0.6
248.15601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18146	0.6
59.01380	7.4
61.87659	0.6
71.01368	2.8
79.05525	4.9
79.10480	0.7
79.38496	0.7
81.03432	1.5
83.01373	25.9
85.02902	0.8
91.05515	1.7
92.29447	0.7
93.03416	1.1
95.05009	3.7
96.95956	1.2
97.02929	3.6
99.00847	1.1
107.05015	7.7
108.02148	1.1
109.02933	1.0
109.06577	8.3
111.04485	1.0
112.04101	0.9
121.02947	1.3
123.04501	25.0
125.02469	0.8
125.03513	1.5
125.06048	3.2
134.03712	4.3
135.04485	1.7
135.08127	0.8
137.02452	1.5
144.92142	0.7
149.06062	0.9
151.03957	1.7
151.05128	2.7
153.01913	3.3
153.05537	7.9
169.05034	0.8
179.03497	1.0
193.05019	3.1
197.04538	100.0
199.05571	0.8
210.87181	0.9
226.04694	0.8
241.01372	1.1
241.03514	25.7
241.08160	9.5
241.10825	1.4
241.17982	4.0
241.21637	7.0
264.80847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0506
Annotation	3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid
Peak:m/z	Relative Intensity
51.11619	1.7
52.75278	1.3
56.42604	1.5
57.44610	1.6
59.01373	10.1
117.52631	2.0
125.58256	2.3
129.99043	2.2
156.14369	2.4
197.06068	100.0
197.11974	2.2
223.13429	3.1
241.01723	9.3
241.05038	33.5
241.07306	3.1
241.10738	4.6
241.14455	12.5
241.18082	21.1
241.21736	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	241.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.1
71.01379	3.7
74.89993	1.5
78.95896	2.5
79.05531	3.2
83.01374	27.7
83.05013	2.0
87.00871	2.2
94.04292	1.8
96.96049	1.8
97.02961	2.7
98.00536	1.5
98.02451	1.9
98.46881	1.7
99.00863	2.1
103.16721	1.9
107.05016	3.7
108.02139	2.9
109.02932	2.5
109.06629	3.5
112.04067	3.4
121.02956	3.0
123.00857	2.0
123.04536	18.8
125.03538	4.0
125.06033	2.1
134.03722	3.6
135.04485	1.9
136.01665	2.8
137.02420	4.0
140.13956	1.7
149.06129	2.9
151.03990	12.7
151.05101	3.6
153.05559	11.2
154.02724	2.8
167.03383	2.6
167.24919	1.7
182.02234	2.5
193.05109	8.8
195.03003	3.1
196.98120	2.4
197.04565	100.0
223.02652	2.0
240.87120	2.2
240.96770	2.0
241.03568	33.9
241.08096	20.2
241.10760	3.8
241.18118	13.0
241.21809	14.2
253.46666	1.8
254.36813	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	241.1079
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
59.01107	0.6
59.01376	12.0
60.01712	0.6
60.96852	0.7
67.26717	0.5
69.03431	1.2
71.01365	0.5
71.04993	2.8
79.84937	0.4
85.39743	0.5
96.67152	0.5
125.09683	1.2
147.03433	0.5
151.11292	0.8
153.12823	3.4
179.10733	6.6
197.11812	100.0
223.09715	0.8
223.13420	0.8
241.10785	73.3
241.14653	2.0
241.18030	1.3
241.21700	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	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
56.49864	0.3
59.01384	4.4
61.71390	0.4
65.72426	0.4
71.01370	3.1
73.02934	16.4
76.84685	0.4
81.03462	0.5
83.05009	0.4
87.00864	0.4
89.09112	0.3
92.18436	0.6
95.04974	0.4
123.04596	0.5
123.08137	0.9
125.02412	0.4
125.32545	0.4
128.82581	0.4
135.08136	1.6
149.06113	0.5
153.09213	1.8
161.02452	9.6
161.09686	0.8
165.63890	0.3
167.07077	0.5
175.83640	0.4
179.03529	0.4
179.07159	0.5
179.10765	4.1
185.27263	0.4
197.04712	0.4
197.08130	1.5
209.88190	0.4
223.06100	0.5
223.09756	2.4
226.06425	1.7
240.98164	4.2
241.10805	100.0
241.17851	3.3
241.21666	2.9
248.74884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43377	0.5
58.02971	0.9
58.23255	0.6
59.01376	31.4
69.57763	0.7
71.01376	0.6
82.02970	19.0
83.07597	0.7
84.04552	3.1
84.62099	0.6
96.04534	0.8
105.66662	0.6
108.02159	1.3
110.02458	1.1
111.03218	0.9
112.04041	6.6
113.16763	0.7
123.04493	6.8
126.09207	1.2
127.05093	5.2
130.08734	8.1
141.10316	15.2
143.08319	0.6
149.64886	0.8
153.09123	0.8
168.09000	1.5
169.06784	0.9
169.09795	1.0
169.13492	1.5
170.64902	0.7
194.02098	0.8
197.12970	89.9
209.04547	7.4
213.11288	1.3
217.21353	0.7
239.00914	0.7
240.96979	0.9
241.12036	100.0
241.17987	2.6
241.21693	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	241.2171
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
59.01361	1.0
61.98827	0.8
125.82041	0.5
203.21420	0.5
241.21712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2174
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
50.02798	0.2
52.29475	0.2
52.89494	0.2
54.54369	0.2
54.75934	0.2
59.01366	0.4
61.02962	0.3
65.01440	0.4
69.97531	0.2
71.04998	0.2
73.97111	0.2
80.31710	0.2
82.04111	0.2
83.05018	0.3
105.04548	0.3
106.04089	1.0
121.05179	0.3
132.05739	0.5
145.05125	0.3
146.07240	0.3
157.05165	0.3
161.60460	0.2
169.15976	0.3
171.06770	1.3
172.06343	0.5
173.04651	0.4
174.76265	0.3
187.06288	0.6
195.17485	0.2
197.19096	1.6
199.06233	0.5
205.05251	0.2
214.07343	1.6
228.12100	0.3
241.08438	0.5
241.18156	15.1
241.21718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37163	0.5
58.78060	0.5
59.20300	0.5
59.81203	0.4
61.98823	1.2
63.04353	0.6
78.95891	100.0
89.74116	0.5
90.82868	0.6
96.96940	2.4
135.92757	0.7
144.06674	0.6
152.98375	0.8
152.99556	24.2
168.02882	2.7
168.04277	71.1
171.00639	6.3
182.05835	0.6
242.07956	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71057	0.4
62.04434	0.5
63.31529	0.5
66.03481	7.6
68.01408	0.9
71.01398	0.6
78.95917	1.3
82.02982	19.7
83.01405	0.8
87.00887	3.7
94.02985	1.3
95.01371	0.6
95.52409	0.5
96.04536	2.0
108.04568	2.5
110.02477	100.0
111.02005	22.1
111.04520	0.7
114.05603	2.4
117.01915	0.9
122.02482	7.4
124.04059	2.8
128.03549	0.6
129.10414	0.5
137.02402	0.7
139.04018	0.7
140.03525	10.6
152.03539	18.5
153.03079	8.8
182.04616	0.8
186.42123	0.5
197.03215	0.6
199.06146	0.7
200.05667	43.5
216.96545	0.6
243.06285	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	2.9
71.01339	0.5
71.04982	2.8
83.04961	0.8
97.02932	4.3
97.06546	1.1
98.65343	0.4
99.00876	21.0
109.06566	1.8
110.03716	0.5
113.12098	0.5
113.98943	0.4
125.08948	0.4
125.09715	7.3
125.19521	0.4
127.11205	1.9
153.12831	0.6
155.14407	2.2
163.11275	9.4
171.32642	0.4
181.12349	28.2
197.11790	1.9
199.13405	27.9
207.10265	52.5
220.93695	0.5
225.11319	94.5
243.12367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1961
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
54.58117	1.3
59.01376	100.0
59.01677	3.2
60.13815	1.2
86.49642	1.6
139.59990	1.4
178.33597	1.8
180.59369	1.5
231.54211	1.4
243.19618	72.8
244.47890	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	243.1964
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
53.58525	0.3
54.59879	0.3
59.01380	0.5
83.02486	0.5
114.00169	0.3
114.36305	0.3
121.55342	0.3
146.01158	0.3
194.76488	0.3
195.17520	3.1
197.19107	81.1
213.08934	0.3
225.15030	0.3
225.18695	2.2
225.20532	0.3
228.90053	0.4
241.18051	0.7
243.19638	100.0
261.80292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.9652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01722	0.5
65.04656	0.4
73.82448	0.4
76.89042	0.5
78.65264	0.5
92.18393	0.6
95.56358	0.4
100.46141	0.4
138.71922	0.4
189.97377	0.5
200.97482	3.7
244.96518	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	245.0428
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.32122	0.3
51.53696	0.3
59.01345	0.6
78.95889	44.5
80.00801	0.3
80.96466	0.7
94.98052	2.9
96.19317	0.3
96.96948	3.4
134.21854	0.4
136.99124	0.4
152.99564	84.5
167.08510	0.3
171.00618	42.6
191.79385	0.3
227.02412	0.8
245.04323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1143
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
59.01381	1.4
63.75245	0.3
65.03964	0.4
65.98055	0.3
69.03464	0.4
69.38557	0.4
71.01377	1.6
72.99303	0.9
73.02943	0.4
74.02467	1.5
78.95895	4.2
80.96510	0.3
81.03467	0.5
82.03001	1.7
83.05020	0.7
84.00966	0.3
84.04539	2.6
85.02986	1.0
87.00870	48.0
88.04037	0.5
93.03461	0.7
95.05026	1.8
96.96963	2.1
97.02962	0.8
97.06601	0.6
98.02484	1.5
99.00901	0.5
103.92022	0.6
107.11341	0.3
109.02967	1.7
109.06606	0.8
110.02483	0.4
111.04471	0.4
112.04044	0.8
113.02460	0.4
113.06122	0.5
115.00396	0.4
116.07166	78.9
121.02960	0.4
125.02441	0.6
127.07661	0.4
127.08743	1.8
128.03532	100.0
128.96460	1.4
129.06726	1.4
129.10312	0.6
130.94395	0.5
137.07237	0.3
139.03998	1.5
139.07715	0.6
139.08769	0.8
140.99603	0.3
146.97552	0.5
152.99585	9.0
153.05547	0.5
155.11887	0.6
156.95975	0.7
157.01395	0.4
157.05037	0.5
157.13470	1.4
165.01929	0.7
165.10316	3.2
169.01477	0.5
171.00632	4.7
172.90733	0.5
172.95436	0.7
183.06598	0.6
183.11383	11.4
200.94925	0.5
201.07597	1.3
201.12465	0.4
209.09322	10.7
227.10378	12.2
227.12488	0.6
245.00995	0.4
245.04268	9.7
245.06735	10.0
245.11475	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	247.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00544	0.7
50.46543	0.8
59.01372	3.8
59.24683	0.7
61.98484	0.8
63.17366	0.7
68.14652	0.8
69.03455	12.9
71.01367	10.1
72.99302	5.7
73.02934	0.9
79.05530	15.6
82.28793	0.8
83.05022	6.6
83.45328	0.8
85.02930	1.6
85.06615	3.2
87.00870	4.0
93.69411	0.8
95.05011	40.1
96.96964	0.9
97.02966	1.4
97.06568	12.5
99.04513	1.3
107.41000	1.0
108.02121	1.1
109.02924	1.5
111.00881	1.3
111.04506	3.4
113.02425	4.9
113.03567	1.1
113.06068	46.5
115.04031	0.9
123.04513	41.8
127.04010	1.7
128.03551	1.5
129.05579	4.2
139.04057	0.9
141.05583	25.3
141.06641	1.9
155.03511	1.4
157.05042	71.1
159.06631	8.7
183.27415	1.0
185.02895	1.6
185.04536	42.1
203.05626	3.4
229.03516	100.0
247.02396	1.4
247.04634	27.4
247.08337	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	247.0611
Annotation	Misakimycin
Peak:m/z	Relative Intensity
50.75930	0.9
55.74421	0.8
56.45266	0.7
59.01366	1.7
61.45056	0.8
63.88009	0.8
84.06767	1.0
108.02175	4.4
109.43913	1.0
114.14819	1.1
117.17223	1.1
123.04519	7.3
155.04787	1.2
159.04558	1.4
160.05287	1.5
160.23552	1.0
167.05440	8.8
172.15698	1.1
187.04015	10.7
188.04793	14.6
203.03572	1.7
204.04195	4.1
232.03761	100.0
247.06120	74.5
247.08707	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	247.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39011	0.3
52.60335	0.3
52.73922	0.3
53.99992	0.4
55.62796	0.3
57.02888	0.3
57.03441	0.5
59.01371	1.8
61.19541	0.3
63.06708	0.3
66.61467	0.4
83.05023	3.9
85.32805	0.4
91.04018	0.4
111.08148	89.0
129.09210	3.1
139.46268	0.4
143.19688	0.4
160.01637	2.7
168.95010	0.4
173.08180	100.0
175.04042	0.5
175.81230	0.4
182.82327	0.4
188.01143	3.3
203.03519	4.4
247.02505	3.9
247.06364	0.8
247.11871	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	247.134
Annotation	Lyratol D
Peak:m/z	Relative Intensity
59.01382	1.4
65.16508	0.7
66.28427	0.6
68.61896	0.8
81.03461	1.2
84.99171	0.8
95.86943	0.8
97.06570	2.0
101.14883	0.8
106.73849	0.8
117.32395	0.9
118.68089	0.8
119.08624	0.8
119.29016	0.8
121.06580	3.8
121.10205	5.3
124.27326	0.8
137.09721	70.2
147.08153	33.0
161.13356	1.2
187.11272	9.1
203.14430	62.1
247.13393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.17
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
58.30449	0.8
59.01368	0.8
60.62294	0.5
64.85445	0.6
70.16039	0.6
82.66678	0.6
89.02436	1.0
95.40202	0.7
96.86612	0.7
124.94175	0.7
131.08549	0.7
145.11703	0.7
205.00255	0.8
247.01477	0.8
247.17004	100.0
265.36893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0765
Annotation	Paecilospirone
Peak:m/z	Relative Intensity
59.01365	4.1
61.73959	0.8
64.60023	0.8
73.97349	0.7
83.80593	0.8
95.51781	0.9
99.07806	0.8
120.50008	0.7
121.02952	1.8
131.05042	0.9
136.00018	0.8
160.05267	1.7
161.02374	1.3
161.06081	3.1
162.03235	3.3
163.58498	1.0
175.07597	1.2
177.01791	1.1
177.05580	3.9
189.05551	3.5
190.06328	3.5
191.07097	1.1
203.59053	0.9
204.04248	100.0
205.05031	1.3
205.08673	1.8
219.06583	55.5
234.05499	1.2
249.03992	1.8
249.07745	27.5
249.15025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01385	5.0
59.96955	0.4
69.32451	0.4
75.54034	0.6
123.30805	0.5
124.89664	0.5
165.67281	0.6
205.19612	1.1
210.85294	0.6
231.17490	0.8
234.43048	0.6
241.27438	0.5
247.16951	0.8
249.14978	4.4
249.18584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
51.29605	0.5
59.01381	0.5
64.37068	0.4
71.01363	3.4
72.24460	0.5
84.34956	0.5
88.04026	68.1
91.05508	5.9
92.21153	0.5
92.21770	0.5
114.01938	5.0
115.00350	13.7
130.94356	1.0
132.03014	100.0
134.06107	0.7
135.04510	3.2
145.96806	0.6
165.95702	0.8
189.95758	0.9
206.08240	2.4
207.96759	1.2
232.06192	0.9
250.07179	21.5
254.88881	0.5
258.82629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69724	0.5
57.03450	0.7
59.01380	11.8
63.96248	1.0
69.03452	1.0
71.01373	7.6
73.02953	2.5
75.00854	0.5
79.95717	2.5
80.96508	1.4
83.01399	1.0
85.02937	16.5
89.02450	6.9
93.03439	5.0
95.01334	0.6
96.96034	0.8
99.00853	6.3
101.02429	8.9
113.02415	4.7
119.03470	2.3
120.99689	0.6
121.02939	10.1
127.00394	0.9
129.01926	12.0
130.04224	1.1
131.03523	0.7
143.05020	1.3
143.10754	2.1
145.06578	100.0
147.14221	0.6
157.01395	2.4
159.04449	1.0
161.04553	1.3
163.04045	0.8
169.62341	0.6
177.05582	1.0
182.63133	0.6
189.05566	61.6
207.03020	0.6
220.24121	0.7
232.08131	0.6
233.04477	1.1
251.02155	1.2
251.05750	9.3
251.11346	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	251.0561
Annotation	MONO(3-CARBOXYPROPYL) PHTHALATE
Peak:m/z	Relative Intensity
52.48746	1.8
59.01374	11.7
66.91090	1.9
73.69511	2.2
79.95754	2.2
85.02956	5.0
96.95963	3.0
101.02459	3.4
109.02918	2.9
111.00883	4.2
111.29786	2.3
112.00597	2.2
113.02451	3.0
119.05022	8.7
121.02943	37.1
123.04556	2.7
131.94359	2.9
132.05772	3.5
133.06595	4.4
135.04532	9.8
137.02440	3.3
140.81088	2.3
145.06631	4.1
146.03728	100.0
147.04520	10.2
147.46454	2.3
148.05292	3.8
161.06067	28.6
161.09715	2.7
162.03229	22.8
163.04048	24.3
164.04781	94.7
174.03230	13.1
177.05566	13.2
179.07130	79.8
189.05586	20.5
191.03473	4.4
192.04269	85.2
207.06625	88.5
208.97183	3.0
233.04442	2.7
251.01912	4.0
251.05630	78.8
251.20140	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	251.0922
Annotation	Pyrenochaetic acid B
Peak:m/z	Relative Intensity
51.12410	1.6
51.70226	1.6
57.03438	2.3
59.01373	12.2
66.62105	1.8
71.01372	2.8
82.75305	2.0
83.01359	2.3
84.22304	2.1
85.02935	3.1
87.32211	2.1
92.77405	2.8
95.05008	4.7
96.95982	9.9
97.02920	2.3
99.00816	2.8
101.02444	3.5
107.05009	5.2
108.02145	3.7
109.02914	4.7
109.06551	3.4
111.04494	5.0
119.04991	12.4
120.99575	2.8
121.02935	12.6
121.06585	3.2
122.03669	3.0
123.04490	19.6
123.08143	21.2
124.05234	2.2
125.06068	9.5
133.06497	2.4
135.08174	4.4
137.02394	3.8
138.06842	3.9
139.07623	11.4
142.54236	2.1
143.05014	12.3
144.04211	1.9
145.06577	59.1
147.08090	4.2
149.06152	2.1
151.03940	3.2
151.07631	26.3
151.11259	3.8
152.08461	2.4
153.09164	2.6
159.04468	3.3
161.09695	53.8
163.03987	23.3
163.07646	3.9
163.11259	36.4
164.08391	23.8
165.09142	17.5
173.06068	8.4
174.06808	5.2
177.05580	4.0
179.10742	86.0
188.03560	3.2
189.05557	19.8
189.09193	100.0
189.10878	4.5
192.07942	15.1
207.02956	2.8
207.06596	8.1
207.10191	34.4
208.97029	2.3
233.08128	33.1
251.05603	36.6
251.09189	30.4
256.66260	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.7
55.38020	1.5
57.03468	5.9
58.98774	1.5
59.01380	76.7
61.73795	1.6
66.16016	1.5
68.83400	1.8
71.00983	3.2
71.01373	87.1
73.02941	30.7
75.00874	1.7
83.01369	16.4
85.02938	44.2
85.19306	1.5
87.00856	3.1
89.02428	27.0
95.01373	4.2
99.00871	11.3
101.02431	100.0
102.62596	1.9
113.02441	49.9
119.03516	4.1
120.16542	1.9
125.02402	2.5
143.03471	3.9
159.02956	10.9
161.04539	49.4
178.05145	2.0
191.16348	1.8
251.05832	3.0
251.11349	49.9
273.66785	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	251.2017
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01385	1.2
61.63098	0.3
75.09455	0.3
76.11378	0.3
87.91334	0.3
91.09366	0.3
106.13156	0.3
143.94441	0.3
146.39079	0.3
147.54436	0.3
170.51566	0.3
205.66185	0.3
213.57744	0.3
216.83597	0.3
233.19119	1.6
251.20166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0922
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01860	1.3
59.01381	95.4
62.04195	1.3
63.15015	1.5
71.01375	44.4
73.02932	7.1
83.01365	3.7
85.02944	11.8
85.73435	1.5
87.00865	6.6
88.78275	1.3
89.02436	60.5
93.25648	1.7
95.01369	1.7
101.02434	69.5
101.78836	1.7
113.02434	25.3
119.03485	16.7
134.71725	1.5
143.03540	6.2
154.94344	1.9
161.04544	24.9
179.05624	7.6
253.09296	100.0
253.21809	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	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12345	0.2
55.79496	0.2
59.01382	100.0
67.58954	0.2
71.01382	1.1
71.23085	0.2
71.25335	0.2
72.99319	1.1
73.02942	0.3
74.99082	0.9
80.01112	0.3
80.96531	0.4
85.02988	0.3
87.00842	0.4
89.02452	1.2
91.02974	0.3
101.02444	1.7
109.55462	0.2
113.02454	0.3
118.42331	0.2
120.99659	0.5
126.25295	0.2
133.01482	0.4
136.99135	0.3
161.04594	0.3
163.02487	1.0
174.46625	0.3
193.07149	2.6
198.35017	0.3
235.09924	0.3
253.03911	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	253.108
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
55.03813	0.8
59.01376	10.5
64.76887	0.7
66.33303	0.8
69.03436	6.0
71.01370	4.6
78.94994	0.8
79.05927	0.9
92.50581	0.8
95.05013	1.3
97.02923	10.5
100.66601	0.7
101.02452	1.8
105.07090	5.3
107.05025	1.0
108.05788	8.4
109.02943	1.3
109.06570	4.7
111.04494	1.1
111.08101	1.1
113.06064	7.2
121.06576	2.1
122.03724	3.9
123.08130	9.2
125.06053	19.7
133.06589	1.2
136.05252	3.3
137.06055	5.5
138.06859	40.9
139.07643	30.5
147.08130	4.7
149.06068	1.9
149.09723	11.2
151.07632	60.5
152.04774	8.1
152.08408	10.9
153.09198	100.0
157.10312	0.9
163.11253	1.8
165.09151	1.2
167.07047	1.6
173.09691	9.7
175.07639	4.8
176.08449	1.8
191.10776	77.2
209.11819	4.7
253.10815	25.9
253.21684	2.0
267.80450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2174
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
53.25957	2.7
58.41017	2.5
63.54919	3.1
70.64179	2.5
74.59014	2.6
100.74799	3.5
103.08627	3.0
105.56274	3.1
106.04107	6.4
125.07436	3.2
168.43877	3.5
184.49306	2.9
211.07426	3.1
228.49553	3.1
253.21744	100.0
256.09406	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	253.2171
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
71.30973	0.4
74.01148	0.5
76.81079	0.4
81.20055	0.5
81.20505	0.5
117.05684	0.6
157.67532	0.5
161.46289	0.5
226.02031	0.5
253.21712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78685	0.4
65.95789	0.4
80.31113	0.4
87.00869	2.3
87.96175	0.4
100.25301	0.4
108.02161	7.4
109.02906	1.7
123.04490	11.0
130.61131	0.4
148.01633	12.1
152.01131	26.6
153.05550	11.9
161.94757	0.5
163.03989	12.1
166.02725	2.8
167.03470	100.0
181.05061	5.1
192.00665	0.9
196.03760	2.0
207.02995	3.8
210.01657	0.9
225.04018	30.3
225.06252	1.0
240.02873	0.7
255.05067	27.6
255.23267	21.1
269.16867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2328
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
58.45741	0.3
60.13944	0.3
90.98182	0.4
255.02466	0.5
255.23277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0594
Annotation	Validamine 7-phosphate
Peak:m/z	Relative Intensity
54.56181	4.3
57.89279	4.7
58.21543	4.9
59.01385	21.2
72.95860	4.3
89.02434	6.3
100.04050	20.7
101.02434	12.1
103.96771	5.5
107.07774	5.7
111.07130	6.5
119.03504	45.8
207.77074	5.4
240.64287	6.5
247.84846	5.5
256.05945	100.0
256.23486	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	256.0614
Annotation	N-Benzoyl-4-hydroxyanthranilate
Peak:m/z	Relative Intensity
64.34975	0.6
70.21346	0.5
70.83009	0.6
72.14625	0.6
73.00556	0.5
73.06358	0.5
88.03822	0.6
106.02937	1.1
134.02463	43.2
159.19128	0.6
168.14507	0.6
184.07661	1.0
194.06078	2.5
210.05603	14.9
212.07153	100.0
256.06128	47.2
256.23621	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1301
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
55.78039	0.8
59.01376	1.0
70.92415	0.9
71.73898	0.9
72.00905	1.4
74.02454	2.3
84.04524	1.3
86.02493	1.3
88.55159	0.9
98.02464	4.9
107.55518	1.0
109.99088	1.0
112.04038	7.7
127.08732	7.3
128.03516	21.4
129.06693	1.5
143.08264	5.9
194.13016	5.0
212.14021	9.3
215.72552	0.9
238.11964	12.8
239.26639	1.0
256.13022	100.0
256.23651	38.7
258.04315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.068
Annotation	Posoquenin
Peak:m/z	Relative Intensity
59.01379	9.8
65.30228	0.6
69.83560	0.6
85.02976	0.8
85.50883	0.7
86.44702	0.7
103.85873	0.7
129.05556	0.7
137.06067	0.8
138.68126	0.8
153.09219	0.9
154.96008	8.9
172.24820	0.7
174.99217	2.6
177.01903	0.8
195.10338	0.9
196.97025	17.6
207.03012	1.4
209.04689	1.0
213.30783	0.8
214.06210	39.1
214.08275	1.5
257.06799	100.0
257.23932	3.9
260.78027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2123
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
57.34278	0.3
75.35632	0.3
83.02470	0.6
92.18797	0.8
112.08709	0.4
183.17543	0.4
209.19112	2.1
211.20673	70.2
238.47752	0.4
239.20148	1.3
255.19766	0.5
257.21231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0221
Annotation	D-myo-Inositol-1-phosphate
Peak:m/z	Relative Intensity
52.39380	0.1
56.19137	0.1
59.01368	0.2
62.96397	0.1
65.94835	0.1
68.56129	0.1
70.34006	0.1
78.95893	100.0
96.96943	13.3
116.92857	0.1
120.70020	0.1
138.98019	0.6
150.49673	0.1
159.01469	0.2
166.72029	0.1
171.00609	1.2
172.01012	0.9
179.00128	0.1
181.54950	0.1
187.02542	0.1
199.00267	0.2
225.03406	0.1
239.89594	0.1
241.01205	0.9
259.02216	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16407	0.7
59.01390	6.9
61.26087	0.7
66.87630	0.8
67.93525	0.8
73.02968	1.2
74.94838	0.8
78.95883	6.7
79.56535	0.9
82.02966	1.9
84.04551	1.4
85.02950	1.1
97.02929	1.4
127.05241	1.1
128.03540	100.0
130.08734	77.5
130.27469	1.1
141.05627	1.0
141.10414	1.0
151.29890	1.2
153.05571	3.7
164.01204	1.5
169.13493	1.2
179.03574	8.7
179.11926	5.1
182.51332	0.9
197.13011	14.3
217.73262	0.9
223.10934	10.0
223.56831	1.0
240.27223	1.0
241.11974	20.2
249.28072	1.1
258.99380	2.0
259.02356	3.8
259.12802	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	259.1297
Annotation	Glu Leu
Peak:m/z	Relative Intensity
59.01376	7.6
62.42234	0.6
69.44047	0.7
74.02453	0.7
78.62315	0.7
78.95907	1.9
82.02968	1.2
83.05048	1.3
84.04538	3.7
85.02953	0.8
88.21134	0.7
92.44891	0.8
106.16592	0.7
106.17277	0.7
112.03984	1.1
113.06130	0.9
116.51338	0.7
128.03523	100.0
130.08722	71.7
141.10393	1.7
143.11937	0.9
156.95528	8.7
160.44121	0.7
179.11909	3.1
197.12958	11.4
198.96623	12.3
201.02831	0.7
223.10847	9.7
241.11923	14.4
258.98993	0.8
259.02191	2.9
259.13110	20.0
259.99188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.023
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
52.03776	0.4
52.94722	0.4
60.39705	0.5
72.00896	4.0
72.04520	0.8
74.02464	4.6
78.95902	1.1
79.95721	16.2
80.96490	0.7
82.02961	3.3
83.05015	1.2
85.99025	0.4
88.04019	2.2
92.31555	0.5
93.03433	9.6
98.02466	2.9
100.04022	4.2
102.47421	0.5
102.68426	0.5
106.04214	1.3
107.05023	0.6
112.25412	0.6
115.00372	0.7
119.04996	36.9
123.68533	0.5
128.03499	2.3
130.97096	0.6
132.06644	2.8
134.06131	0.7
135.04521	3.6
136.07671	3.8
144.06668	2.6
145.04970	0.6
163.03986	9.0
180.06647	79.5
185.99875	5.8
198.07716	2.6
199.00691	36.0
214.07275	0.8
215.00182	16.9
242.06581	2.1
242.99545	1.2
260.02310	100.0
260.07733	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	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
50.31100	1.2
59.01379	9.0
67.64797	1.1
72.99306	6.7
73.42290	1.1
75.00883	1.4
79.95731	2.5
83.04993	1.4
93.03410	10.2
96.95985	1.9
101.02461	2.0
109.02930	1.4
119.05021	22.8
120.95992	1.5
125.02391	1.4
135.01703	1.2
135.04515	16.0
139.13037	1.4
145.04698	1.2
163.04004	31.1
181.03447	3.2
181.05066	100.0
199.00681	14.6
211.56825	1.3
215.00192	8.3
261.00745	89.3
261.09781	5.7
261.13467	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	261.1341
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
50.66747	0.4
57.03455	0.5
66.99300	0.4
68.05179	0.4
70.57576	0.4
91.03934	0.5
94.05630	0.5
97.06572	4.8
113.18468	0.5
123.08164	2.2
125.09700	100.0
143.10757	1.1
166.02687	0.9
169.08675	4.5
181.05058	10.2
187.09743	93.9
250.73280	0.6
261.00861	1.2
261.13422	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	263.1188
Annotation	dmbi
Peak:m/z	Relative Intensity
50.16343	0.5
59.01381	0.8
63.07024	0.4
67.36179	0.4
70.59103	0.4
74.27303	0.4
80.56602	0.4
82.35339	0.4
87.34256	0.5
92.32248	0.5
99.92254	0.4
105.29695	0.4
116.05025	0.6
120.04538	100.0
130.06613	0.6
219.13940	2.2
232.60876	0.5
263.11893	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	263.1288
Annotation	Hydroxyanthecotulide
Peak:m/z	Relative Intensity
59.01367	3.2
59.65849	0.5
67.18928	0.5
83.05031	0.7
84.54131	0.5
96.96045	0.8
109.02859	0.5
109.06537	0.6
115.78245	0.6
119.08690	0.9
125.06062	1.0
135.08174	1.0
136.05264	4.2
137.71695	0.7
138.06879	0.8
150.28075	0.6
151.07651	0.8
152.07361	0.6
152.08374	4.0
155.54443	0.6
161.09756	1.1
163.07584	2.0
164.08305	0.7
175.03947	1.0
185.09676	1.3
186.10486	1.1
189.09242	2.1
201.12897	19.5
203.09003	1.1
203.10765	10.9
204.11552	59.0
219.13896	34.4
245.00821	0.9
245.11855	1.4
263.12869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1291
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
57.03453	1.2
59.01383	3.1
66.94109	0.6
67.01881	0.8
71.01376	4.8
79.05516	0.8
81.03432	1.0
83.05032	2.7
85.02937	1.4
87.20872	0.8
93.07056	0.8
95.05024	1.7
97.02938	7.2
105.07086	4.4
107.05038	1.6
108.05814	7.2
109.02955	5.6
109.06618	2.7
111.04514	9.7
111.08160	1.6
112.85349	0.8
113.06100	9.5
116.05031	0.7
119.08666	4.5
121.06557	2.6
122.03708	4.0
123.08151	9.3
124.05288	1.2
125.06082	20.5
125.09691	0.7
135.08154	4.4
136.05293	9.7
137.06090	4.3
137.09746	0.9
138.06880	17.9
139.07652	36.2
148.05319	6.3
149.06087	4.2
151.07643	70.5
152.04768	7.6
152.08429	32.1
153.09213	18.4
154.99393	0.7
159.11819	4.4
161.09709	6.5
163.07637	15.3
163.21974	0.7
167.07146	3.2
175.11298	1.0
177.12801	0.9
185.09665	1.0
186.10507	4.0
189.09201	1.3
201.12854	33.9
203.10793	8.8
204.11572	78.6
219.13914	100.0
235.08717	0.9
248.10611	1.5
263.12878	18.9
277.85553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
51.85506	1.2
59.01384	7.3
61.98827	1.8
68.80778	1.5
68.88708	1.6
83.04981	1.3
90.98617	1.6
105.15549	1.9
126.86236	1.5
177.02441	1.6
195.38298	1.7
197.28209	1.7
219.17549	8.1
245.32735	1.9
263.16559	24.9
263.20154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17757	0.5
53.66216	0.5
57.24313	0.6
59.01387	1.2
64.94214	0.6
68.61339	0.5
84.83274	0.6
89.54886	0.7
96.96003	0.7
97.02984	0.7
134.03748	1.2
162.03217	57.6
176.04771	1.4
177.02136	5.4
177.05568	100.0
180.64844	0.5
188.04855	2.3
191.07120	0.9
193.05055	0.9
203.07082	1.1
220.03815	0.8
221.04478	0.8
221.08168	1.3
235.06125	0.9
247.06123	2.6
250.04832	2.7
265.03827	1.1
265.07217	10.7
282.01367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0716
Annotation	Luisol B
Peak:m/z	Relative Intensity
71.21337	0.6
75.91369	0.6
92.18417	0.8
95.01363	0.6
96.96002	0.7
99.00852	3.0
107.01357	1.2
108.02151	2.4
111.00862	4.0
117.25410	0.6
123.00848	5.8
123.04469	1.5
124.01640	1.3
125.02440	1.0
135.00874	3.4
136.01698	1.1
145.02998	0.8
146.03745	1.3
150.03250	1.0
151.00414	0.8
159.04558	0.7
161.06084	2.7
175.04019	2.4
176.04796	3.2
177.05571	0.7
187.04013	0.9
188.04770	4.1
191.07127	0.9
202.02713	2.3
203.03497	1.4
203.07117	1.0
205.05046	7.3
206.05841	2.6
217.05057	5.7
220.03676	1.4
221.04535	1.2
231.02942	0.7
232.03749	93.0
235.06079	0.9
247.06105	100.0
250.04802	27.2
265.07156	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36953	0.9
59.01380	100.0
68.94202	1.0
70.08833	1.0
71.01377	53.0
76.62531	1.1
79.95726	1.0
80.96558	1.4
83.01414	1.5
85.02943	55.2
87.00860	2.3
89.02437	76.1
92.05049	9.4
95.01382	5.0
101.02429	35.5
103.03999	2.0
113.02441	26.2
117.05603	1.4
119.03476	33.7
125.02594	1.2
131.03482	3.8
135.05615	8.4
136.04042	22.1
143.03477	6.2
149.04544	1.7
154.45071	1.1
161.04572	4.6
165.06641	7.7
167.39552	1.1
169.01404	1.2
177.05528	2.1
177.10336	11.2
179.05638	10.1
190.94693	1.1
203.08311	1.4
204.88516	1.1
221.04504	1.1
221.09338	15.1
247.07301	2.4
265.03812	4.8
265.08762	32.7
265.60953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.217
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01358	0.5
61.98801	1.6
71.51558	0.4
82.16422	0.4
90.40427	0.5
96.95976	0.8
113.91557	0.4
245.83823	0.5
265.14685	1.9
265.21704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0821
Annotation	PD 98059
Peak:m/z	Relative Intensity
57.78939	1.4
59.01390	2.1
77.03523	1.7
92.05031	20.5
102.20254	2.1
104.69828	1.8
116.05039	15.0
144.04547	26.5
174.68987	1.9
181.00926	2.7
184.00981	28.1
194.09744	34.5
204.08162	8.9
222.09206	81.7
266.08206	100.0
266.14978	2.2
266.18448	2.6
266.38519	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	266.0893
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01369	0.6
68.99820	0.1
71.01373	0.3
89.02434	0.3
92.02524	0.3
107.03625	1.9
134.04712	100.0
137.96469	0.1
203.51366	0.2
213.40544	0.1
220.46420	0.2
239.10359	0.1
266.08929	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	267.0723
Annotation	formycin b
Peak:m/z	Relative Intensity
50.38448	0.6
53.61035	0.7
57.03455	0.9
59.01381	19.9
62.50480	0.7
71.01380	22.0
72.99324	1.4
73.02969	1.0
75.00870	10.0
84.47085	0.7
85.02943	19.0
87.00869	14.1
89.02436	13.5
95.01386	5.2
99.00865	8.5
101.02448	3.4
103.00361	1.9
113.02444	40.2
115.00333	1.0
117.01917	1.4
129.01959	2.8
131.03500	1.2
133.03430	0.7
136.99155	0.8
167.39497	0.7
175.02536	1.2
192.66467	0.8
205.07286	1.0
207.05101	1.4
215.34796	0.8
241.74265	0.9
245.53311	0.8
249.06154	3.8
267.07257	100.0
267.23492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0733
Annotation	Inosine
Peak:m/z	Relative Intensity
56.88547	0.3
59.01387	10.4
63.56948	0.4
66.78305	0.4
71.01381	4.3
72.99273	0.5
75.00867	2.0
80.96531	0.9
85.02943	4.9
87.00891	4.7
89.02441	2.7
92.02522	0.5
95.01401	0.6
99.00887	1.7
99.02690	0.4
101.02432	1.6
113.02448	8.4
117.01915	1.6
119.08070	0.4
126.03075	0.4
130.08722	0.6
135.03136	100.0
142.03143	0.4
175.02548	0.5
206.77800	0.5
220.10118	0.4
248.16826	0.4
249.06207	0.7
267.07349	69.3
267.19974	0.5
267.23340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0873
Annotation	Botryolide C
Peak:m/z	Relative Intensity
54.83501	2.6
57.31915	2.7
59.01377	14.8
81.12323	2.9
87.00862	59.3
88.98781	2.7
96.96002	12.5
99.00890	3.4
102.79130	2.8
113.02431	3.3
123.04506	4.2
124.01602	3.1
134.03751	4.3
135.04530	12.6
136.01692	3.5
139.19557	3.5
146.03764	25.6
149.06076	3.6
159.75032	3.2
160.05307	4.9
161.06056	26.1
164.04764	40.2
165.59651	3.0
179.03511	19.0
179.07120	93.2
204.04251	61.1
204.05986	4.7
207.06644	12.8
219.06619	100.0
219.08604	5.9
237.07724	3.6
249.07736	24.2
252.06213	5.2
267.01331	3.5
267.04956	6.9
267.08939	81.7
267.12445	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	267.0876
Annotation	Botryolide C
Peak:m/z	Relative Intensity
59.01387	4.0
63.35866	1.7
65.63600	1.8
76.87794	1.8
87.00928	2.3
115.04027	3.7
123.04560	2.5
133.02962	13.5
134.03755	23.1
149.06085	16.9
151.03990	2.2
160.01691	13.6
163.26741	2.0
175.04016	38.1
177.01941	15.6
179.03499	3.1
191.03659	3.0
193.05077	18.5
222.05472	15.6
237.07607	14.6
252.06401	61.5
267.08810	100.0
267.12918	2.8
267.19748	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	267.0872
Annotation	Botryolide C
Peak:m/z	Relative Intensity
59.01386	1.5
79.55894	0.8
87.00880	1.6
88.46731	1.0
96.96017	1.1
113.02415	0.9
119.01427	0.9
119.05026	1.0
123.04534	1.0
134.03728	100.0
135.04529	1.1
136.01610	1.7
137.02478	1.4
147.04553	0.9
148.05305	3.4
149.06068	61.5
153.05643	1.1
179.03522	1.9
179.07173	0.9
191.03543	1.0
192.04320	4.3
208.07355	1.2
223.02515	1.4
223.09775	1.2
267.01501	1.8
267.08823	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	267.2327
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
61.14959	0.3
68.62962	0.4
76.86537	0.4
118.55920	0.4
176.46185	0.4
204.48581	0.5
267.23276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22133	0.4
52.72644	0.3
57.43946	0.3
59.01374	0.4
62.29841	0.3
63.96222	0.6
74.42702	0.3
77.97798	0.5
78.43864	0.3
79.95733	2.4
93.00147	100.0
130.50465	0.3
268.10068	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Nudol
Peak:m/z	Relative Intensity
53.21399	0.7
59.01376	1.0
63.97050	0.7
91.67635	0.8
120.61409	0.7
121.06585	7.3
134.23772	1.0
139.07632	7.1
145.44322	0.8
150.37663	0.9
165.05521	2.0
171.43031	0.8
172.12807	0.8
183.06625	9.0
189.12834	4.0
197.02879	0.9
225.05663	1.5
226.06372	6.6
253.05017	4.7
254.05833	100.0
268.77881	1.1
269.08176	49.1
269.13983	3.5
269.18057	1.8
269.21219	17.2
269.24734	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14096	1.2
55.53769	1.2
59.01371	3.1
71.01383	1.1
87.00859	100.0
89.02425	1.2
96.22781	1.3
101.11962	1.2
116.10878	1.3
121.02911	2.0
152.01088	1.3
166.06337	56.9
181.05128	2.0
181.08699	63.2
189.05492	1.3
207.13710	1.8
207.16910	1.4
225.11296	5.0
225.22183	1.6
237.04131	2.4
269.06979	1.8
269.10327	47.2
269.13913	6.2
269.18280	2.7
269.21201	69.3
269.24780	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	269.2118
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
51.08935	0.8
59.01381	0.9
67.64500	0.8
71.46582	0.8
80.50229	0.9
88.61585	0.9
197.19116	1.0
225.22198	5.8
236.96530	0.9
251.20294	1.2
269.21225	100.0
269.24768	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	269.212
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03432	0.6
59.01370	6.5
63.75003	0.5
91.96090	0.6
97.06566	8.0
113.09692	3.2
117.82139	0.5
153.12871	0.8
225.22249	8.6
251.20149	6.7
269.21198	100.0
269.84598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
52.80227	0.4
57.03437	3.9
59.01377	42.6
71.01375	5.7
81.36304	0.5
88.76479	0.4
93.91105	0.5
94.02155	0.5
118.58713	0.5
118.68788	0.4
140.94194	0.4
172.52032	0.5
197.19107	27.3
197.20918	1.0
209.19104	0.9
222.00821	0.5
225.22278	2.5
234.40796	0.6
248.30420	0.5
249.20213	0.5
251.20113	2.6
269.21219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2484
Annotation	Margaric acid
Peak:m/z	Relative Intensity
52.99068	0.3
53.04617	0.3
59.01374	0.4
77.86164	0.3
102.41869	0.3
118.36016	0.3
170.50760	0.3
269.21350	10.3
269.24838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2485
Annotation	Margaric acid
Peak:m/z	Relative Intensity
73.48977	0.3
101.91183	0.3
113.10218	0.3
153.29390	0.3
225.22253	0.7
269.21344	10.6
269.24841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	8-Hydroxy-6-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4,9-dione
Peak:m/z	Relative Intensity
56.76866	0.7
57.48895	0.7
59.01374	0.7
93.03441	17.4
97.70768	0.6
102.82214	0.8
108.02166	1.2
125.09702	1.3
128.92450	0.7
129.03371	1.1
136.01649	17.9
137.02451	1.6
151.04008	3.6
155.05037	1.7
173.06001	1.0
181.12392	0.9
183.04466	8.6
195.04456	0.9
209.15363	1.4
210.03258	1.8
211.04001	31.8
211.05943	1.4
227.03459	1.3
229.05020	0.9
239.03484	61.3
255.03004	7.6
256.03680	6.7
271.06119	100.0
271.15570	6.8
271.19189	1.5
271.22687	3.2
283.02527	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.24132	0.6
59.01382	0.8
63.02399	3.9
65.00322	4.2
83.01378	6.4
85.06591	4.2
93.03454	9.8
105.81278	0.9
107.01380	17.7
111.08193	0.9
115.07651	1.6
119.05016	53.1
123.08177	9.4
129.05571	9.0
151.00362	72.2
152.08429	4.3
155.07176	0.7
165.01880	1.6
169.01366	2.9
177.01926	7.6
185.06044	1.6
191.14397	5.7
199.67685	0.8
209.15491	13.9
227.07121	0.8
253.14470	3.0
271.06128	100.0
271.15613	3.0
271.19281	1.3
271.22687	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	271.0614
Annotation	Corynesidone A
Peak:m/z	Relative Intensity
52.32838	0.4
57.01305	0.4
59.01333	0.5
59.39570	0.5
60.36837	0.4
62.04480	0.4
65.59998	0.5
102.09850	0.5
118.75258	0.6
137.94484	0.5
199.03865	0.7
200.04742	2.0
227.03462	0.9
228.04324	8.6
238.02815	2.2
239.01289	1.0
239.03493	15.3
239.77356	0.6
253.05109	0.9
255.02950	4.2
256.03787	100.0
271.06143	89.4
271.15613	2.7
271.22781	6.5
289.38199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	4-Hydroxyphenyl hexopyranoside
Peak:m/z	Relative Intensity
57.69582	0.7
59.01381	4.4
59.01668	0.6
61.43525	0.7
61.82012	0.7
65.73763	0.6
67.60945	0.6
71.01371	7.0
72.99319	1.0
73.02949	3.0
81.03448	0.8
82.50053	0.8
85.02945	4.2
95.01397	1.0
95.18871	0.7
96.96945	3.5
99.00871	1.3
101.02426	6.2
108.02164	100.0
109.02940	16.7
113.02438	5.0
121.02966	1.3
123.04517	3.3
133.02956	1.8
135.02988	0.9
135.04587	0.9
151.04004	6.6
152.18230	0.9
161.04585	6.9
163.03967	1.2
164.04758	1.2
165.05569	1.3
173.04584	0.8
191.72813	0.9
246.90048	0.7
271.04590	1.6
271.08304	4.0
271.22739	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	271.0976
Annotation	LY364947
Peak:m/z	Relative Intensity
57.41953	0.6
59.01385	6.9
82.58367	0.6
91.14391	0.6
92.19056	0.7
95.17191	0.6
137.02490	1.0
138.03264	3.1
153.05583	11.5
153.43263	0.7
163.07732	2.9
167.03543	1.2
176.01138	21.3
176.02556	1.0
181.08704	0.9
185.06154	0.7
191.03502	39.4
195.04611	0.9
212.04790	0.9
213.05531	11.1
223.04102	1.5
224.04842	1.3
241.05057	100.0
253.10905	0.8
256.07410	47.4
270.99277	5.5
271.09857	43.0
271.15714	1.3
271.22888	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	271.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99565	1.8
58.12893	2.2
59.01381	3.2
71.06139	2.0
84.74201	2.0
96.45222	2.1
97.06605	4.4
108.02153	20.5
111.00859	5.5
111.08141	13.5
123.00861	22.6
124.01610	25.0
134.06091	24.0
136.01653	10.8
136.03993	17.7
139.00357	3.5
153.95204	2.6
188.43990	2.8
213.07925	12.3
225.06720	3.8
228.04247	25.0
228.10197	22.3
238.07431	36.0
241.05057	3.8
253.09818	66.0
253.14302	2.6
255.07753	3.3
256.03778	11.1
256.08487	12.0
271.06113	100.0
271.10773	19.4
271.15643	19.4
271.22778	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	271.1913
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
55.99217	0.8
102.80788	1.0
181.54173	0.9
209.19104	58.4
227.20171	2.3
241.05054	1.1
253.18100	44.2
271.19171	100.0
271.22623	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.14297	0.3
51.31890	0.3
54.65108	0.2
55.23181	0.3
62.39619	0.3
67.20414	0.3
79.30924	0.3
80.70984	0.3
88.76617	0.3
91.17854	0.3
94.81155	0.3
114.50981	0.3
167.16116	0.3
225.22255	4.7
253.21713	2.1
269.21274	0.6
271.22800	100.0
283.51569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2276
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.84906	0.6
71.05003	3.7
92.18430	0.7
93.24687	0.7
99.08125	2.6
104.60333	0.6
130.88486	0.7
155.14429	2.7
191.26625	0.9
196.09369	0.6
211.20723	4.5
211.96643	0.6
225.22263	6.3
232.38713	0.7
253.21768	2.9
271.22769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.33727	0.2
54.21027	0.2
54.49545	0.2
55.63916	0.2
56.97730	0.2
59.01378	1.3
62.04206	0.2
71.01373	0.2
71.05012	9.3
73.16198	0.2
74.17117	0.2
85.06587	0.8
87.04508	0.8
99.47775	0.2
120.34872	0.2
181.15955	0.4
183.17537	10.9
197.19101	12.6
209.19113	0.3
225.22232	23.0
253.21732	2.2
262.10880	0.2
269.21262	3.1
271.22787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.25763	0.5
53.82058	0.5
66.80254	0.5
87.30401	0.6
133.69264	0.7
141.24284	0.5
199.83545	0.7
223.20697	1.4
225.22217	74.0
253.21732	1.1
271.22769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01375	100.0
75.44218	1.1
94.03843	1.2
132.71950	1.4
151.58218	1.0
156.78568	1.0
201.75237	1.0
271.22760	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.03447	5.4
59.01375	0.3
66.05556	0.3
67.48526	0.4
70.86686	0.4
71.05008	1.6
73.02941	0.5
83.05027	0.4
84.02174	3.1
94.15453	0.4
108.02188	0.4
110.87725	0.4
112.86559	0.4
130.34874	0.4
138.02045	0.4
143.10803	0.5
148.64211	0.4
162.55957	0.4
176.09650	0.4
197.19086	3.0
199.17189	0.7
223.20572	0.5
225.22240	35.8
235.20627	7.9
253.21732	14.1
261.24634	0.5
269.21207	3.8
271.22803	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	273.0384
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
58.22038	0.2
58.87372	0.2
70.76181	0.3
73.08735	0.2
76.74361	0.2
78.95901	28.7
92.18988	0.3
96.96955	2.4
110.98525	53.0
122.22076	0.2
174.27333	0.3
241.01192	17.8
273.03833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0771
Annotation	Lecanorin
Peak:m/z	Relative Intensity
57.16563	0.7
60.18634	0.7
68.60870	1.0
70.67898	1.0
81.89724	0.8
92.74686	0.8
107.69138	1.0
111.72086	1.1
120.30567	0.9
123.21120	0.9
146.52603	0.9
153.01820	0.9
171.04515	1.2
199.04008	5.2
215.03535	4.8
229.05019	1.0
240.04208	0.9
243.02983	40.6
243.05348	1.8
246.01422	1.4
257.04620	1.8
258.05331	100.0
272.10840	1.1
273.04303	2.8
273.07681	75.7
273.17117	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	274.0931
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
50.64594	0.7
58.02960	5.7
59.01383	0.9
69.41802	0.8
71.01361	6.7
73.02927	0.9
74.02444	1.7
77.84667	0.8
78.95878	0.9
83.01370	1.0
89.02425	84.6
96.96952	1.6
99.00849	3.2
100.04013	9.4
101.02462	1.0
108.16637	0.8
111.00804	0.9
112.04015	4.2
114.05558	1.3
124.04022	1.9
128.03477	1.1
130.08653	1.4
136.04001	1.1
140.03514	0.9
142.05084	4.0
145.06204	1.3
154.05084	1.6
155.08278	0.9
166.04958	1.0
167.69562	0.9
184.06143	1.1
202.07146	5.5
220.78949	0.8
232.08240	5.4
256.09369	1.4
262.44644	0.8
274.09293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12806	0.4
59.01370	1.2
62.96231	0.5
67.03021	0.5
81.90734	0.5
82.02972	2.4
91.05518	3.2
107.02515	0.9
109.04060	21.0
111.00853	4.2
112.04021	3.3
116.24892	0.5
127.05118	100.0
147.04510	7.5
164.07175	1.0
173.00919	0.7
177.93416	0.5
186.05698	0.6
205.05153	0.7
214.08838	0.6
231.02934	0.7
231.11382	2.9
275.10367	82.0
288.69534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2021
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01392	6.9
87.15694	0.6
101.84120	0.7
104.37392	0.6
106.04178	1.3
111.86270	0.6
159.08200	0.7
168.32967	0.7
177.16467	1.5
188.30815	0.7
231.21162	10.1
275.20203	100.0
287.62173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0861
Annotation	H-Glu(Met-OH)-OH
Peak:m/z	Relative Intensity
58.02975	1.2
59.01377	3.5
71.01371	0.8
72.99290	0.8
74.02468	1.1
74.99105	0.6
77.26102	0.5
78.95925	3.5
79.95722	0.9
80.96526	1.0
82.02974	2.4
84.04528	2.5
85.02923	1.2
87.00803	0.4
89.02496	0.4
92.05028	0.7
96.96946	11.9
97.02963	1.0
99.42182	0.6
100.04024	2.3
100.27325	0.5
101.02427	0.6
103.03972	0.6
112.04047	0.7
113.02416	0.7
115.03986	0.8
120.99631	0.6
125.02354	0.5
127.05163	0.5
128.03514	100.0
129.01929	1.8
143.60486	0.7
144.04514	0.8
148.04349	39.5
149.07092	0.9
151.08784	0.6
167.08253	10.3
173.07198	0.9
197.07567	2.6
211.07231	2.3
215.08525	5.9
233.09511	1.1
233.37799	0.5
241.06483	9.2
255.73727	0.6
259.07532	22.2
277.05661	1.3
277.08542	21.0
277.12762	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.50305	0.3
59.01377	0.6
59.63707	0.3
60.39116	0.3
61.54867	0.3
65.79758	0.3
68.29932	0.4
80.15865	0.4
157.52261	0.4
198.37981	0.4
275.20392	0.5
277.21729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72718	0.5
59.01369	2.9
92.19066	1.0
100.16697	0.6
167.51379	0.6
215.71931	0.7
219.32130	0.6
233.19096	7.9
259.20663	0.8
277.00684	0.8
277.18256	6.6
277.21698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.067
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
50.37014	0.6
58.46722	0.6
59.01385	0.8
63.72364	0.7
65.79742	0.7
70.44681	0.8
70.84350	0.8
71.01376	12.0
88.04035	3.9
93.03445	8.2
106.48233	0.7
114.01955	21.2
115.00354	26.2
117.88928	0.9
119.05012	100.0
121.06557	1.1
131.37558	0.8
132.03012	26.2
145.02945	8.4
145.06569	1.0
146.06122	2.0
147.04480	7.8
154.77116	0.8
162.05609	46.4
163.03998	27.8
172.07654	1.6
187.59438	0.9
190.08768	4.6
216.06650	10.9
225.88898	0.8
234.07832	5.8
260.05603	1.0
278.06693	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	278.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47316	0.4
52.71693	0.5
57.27934	0.4
59.01391	0.5
62.48838	0.4
68.50997	0.4
79.97231	0.4
106.55466	0.4
193.21875	0.5
199.80965	0.5
260.21048	0.8
278.22086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82535	0.2
59.01369	0.3
71.01370	14.5
75.00865	0.4
92.05704	0.2
93.03423	0.3
99.00902	0.3
101.06067	0.8
115.00346	6.9
119.05003	53.4
120.30563	0.2
121.02972	0.3
121.84836	0.2
129.01942	0.4
153.05582	0.4
163.03990	100.0
182.02101	0.3
197.04509	1.5
203.75284	0.2
235.06122	0.3
279.05127	1.3
279.08603	1.3
279.10913	1.4
279.23264	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	279.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82483	1.0
59.01373	2.6
67.14806	1.1
71.47722	1.1
75.00894	0.9
91.87488	1.2
92.05057	21.6
97.06583	1.4
116.05045	73.9
118.02986	26.4
136.04034	100.0
162.01964	62.7
162.85316	1.2
235.08673	8.7
279.07822	19.2
279.12582	2.3
279.15747	3.4
279.23285	39.3
281.45648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
51.60318	1.3
55.01842	1.3
59.01379	100.0
71.01373	59.5
72.99287	1.7
74.99091	1.6
75.00863	2.3
78.67481	1.5
80.96509	3.6
83.01396	1.8
85.02946	11.1
87.00874	2.1
89.02432	82.5
91.68872	1.5
92.19033	4.7
95.01381	2.1
97.02885	1.4
99.04516	46.0
101.02428	37.7
101.06088	2.3
113.02435	26.7
115.00382	1.9
117.05568	6.6
119.03480	34.6
121.02935	1.9
126.04320	2.3
131.03473	2.4
141.96568	1.6
143.03484	6.6
147.04489	3.6
149.04573	2.8
160.02661	6.1
161.04538	7.4
163.04056	1.8
163.07535	1.7
164.07149	15.0
173.06071	3.8
179.05650	11.3
191.07187	2.1
231.34337	1.8
245.18312	1.9
246.70262	1.7
261.08801	10.1
279.05463	13.7
279.10974	33.1
279.23279	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	279.1083
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
56.77842	0.9
57.03434	0.9
58.99597	1.9
59.01374	40.4
71.01366	15.4
71.02479	1.1
71.05019	1.4
72.99312	1.0
73.02895	1.0
74.99062	1.4
75.30025	0.8
78.63859	0.9
80.96538	2.2
83.01372	1.3
84.55891	0.9
85.02950	2.0
88.04018	1.5
88.98813	1.0
89.02434	23.1
95.01392	1.6
99.00845	1.3
99.04507	16.5
101.02422	16.9
101.37300	0.8
113.02411	9.3
115.00357	1.3
117.05555	23.5
119.03463	10.7
120.99631	1.1
148.74118	0.9
164.07094	1.6
179.05632	1.1
187.74728	1.0
190.05133	3.9
235.10979	1.5
249.22810	1.1
279.05579	4.8
279.10858	100.0
279.23251	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
71.56892	0.3
112.07211	0.3
146.47241	0.3
163.99182	0.4
279.23288	100.0
291.25909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98836	0.4
58.23667	0.3
66.12555	0.4
76.20615	0.3
81.93108	0.4
83.20675	0.4
83.43706	0.4
92.48884	0.4
111.97382	0.4
125.81264	0.4
132.47321	0.3
140.11449	0.3
172.61401	0.3
280.23602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
74.17327	0.2
78.64950	0.3
80.53189	0.2
87.00877	0.5
96.96017	0.5
121.02966	0.5
123.04488	0.4
133.02971	0.4
134.03743	19.3
137.02444	2.4
139.04024	0.5
148.05301	1.4
149.06078	16.6
150.03230	0.3
151.03998	1.4
178.02722	29.6
189.25893	0.2
192.04306	1.3
193.05074	100.0
198.92415	0.2
207.06596	0.5
221.04546	0.4
237.07722	1.6
251.05563	0.4
266.04358	1.0
281.03506	0.4
281.06693	8.0
281.10031	0.4
281.24872	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	281.082
Annotation	Agrostophyllin
Peak:m/z	Relative Intensity
53.90436	0.5
54.14294	0.4
57.41911	0.4
59.01381	4.6
73.65533	0.5
92.18480	0.7
110.80555	0.6
136.01663	1.0
151.04001	4.3
171.54253	0.6
209.06044	2.1
220.76830	0.5
220.98109	0.6
237.05545	22.4
238.06367	9.3
242.05785	0.6
248.04759	3.4
265.05023	13.6
266.05835	100.0
281.08194	60.1
281.13983	2.9
281.17291	1.3
281.24854	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0879
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
51.38399	0.9
54.42750	0.8
57.03447	2.3
59.01384	14.4
69.03455	1.1
71.01378	35.7
72.99300	1.3
73.02934	1.8
77.78551	0.9
83.01379	1.3
85.02940	47.7
87.00867	17.5
91.04018	2.0
95.01375	5.7
99.00853	1.6
101.02431	1.9
102.02820	1.2
103.00353	5.6
109.42073	1.1
110.89882	1.0
111.00868	4.7
112.01672	1.5
113.02441	86.7
129.01941	4.0
139.00378	1.1
149.36479	1.3
157.01353	1.4
166.95958	1.0
205.07179	8.3
249.06155	2.5
281.08786	100.0
281.24841	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1397
Annotation	Merrillianone
Peak:m/z	Relative Intensity
54.98382	0.7
55.35492	0.7
57.03447	5.7
59.01382	8.3
64.62096	0.7
71.01411	1.0
83.05023	8.3
87.00871	6.6
93.03435	1.1
95.05016	4.2
96.95930	1.1
109.02946	1.0
111.08167	1.8
119.04975	1.1
121.06583	4.4
123.08155	23.4
124.05283	0.9
125.08608	0.7
134.03728	10.8
135.08192	1.6
137.09709	3.5
139.07651	4.2
141.81351	0.9
149.06126	5.9
151.07655	1.3
153.09198	1.6
160.06850	0.8
163.03996	1.0
163.34813	0.8
165.04459	1.2
171.11775	17.5
178.02721	14.3
189.12852	4.2
191.03424	1.0
193.05078	38.6
201.12920	2.0
207.13980	4.1
237.07793	1.0
237.14961	12.0
281.06924	4.2
281.13959	100.0
281.24857	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	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
57.03450	7.7
59.01379	3.7
63.91885	0.5
65.03973	1.3
69.03457	0.8
71.01379	0.6
83.05020	7.3
87.00859	10.7
95.05023	1.4
106.52910	0.5
106.63426	0.7
111.04478	5.4
111.08129	1.4
113.06064	0.7
119.05015	0.9
119.08649	1.0
121.06586	2.5
123.04596	0.7
123.08143	23.8
125.09715	0.8
135.08148	1.0
137.09694	5.5
138.06850	1.2
139.07654	4.7
145.10210	3.4
151.07591	4.6
153.09206	3.3
163.04010	0.8
169.08673	2.8
169.10225	3.1
171.11789	32.7
171.13275	1.2
175.11259	1.1
177.12778	0.7
178.06274	0.8
189.12810	10.0
193.05109	1.2
201.12825	10.4
207.13921	6.4
219.13895	4.5
237.14960	44.5
266.51035	0.6
278.46338	0.6
281.13937	100.0
281.24841	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	281.2488
Annotation	Elaidic Acid
Peak:m/z	Relative Intensity
51.54831	0.2
57.77638	0.3
58.30058	0.3
67.62371	0.3
69.32396	0.3
81.09492	0.4
82.27637	0.3
92.26441	0.3
179.20992	0.3
275.82898	0.4
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	282.0776
Annotation	Evoxanthine
Peak:m/z	Relative Intensity
55.00232	0.7
56.13202	0.7
59.01378	6.1
59.98666	0.7
65.65688	0.8
71.99702	0.9
92.05071	12.5
92.19109	0.9
93.03461	13.2
96.13084	0.8
107.20984	1.1
109.30891	0.9
116.05095	1.9
118.02981	6.1
119.05025	34.9
132.04572	1.5
144.04575	24.6
145.02974	27.7
162.01982	12.2
163.03961	1.3
195.08151	1.7
196.07677	9.8
210.09309	24.3
220.07629	9.2
238.08765	83.8
282.07755	100.0
282.25201	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	282.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
59.94946	0.2
92.18342	0.3
94.35775	0.2
107.03654	1.9
108.02033	1.8
126.03094	1.9
130.08731	1.3
133.01569	12.4
135.75233	0.2
150.04216	100.0
282.08469	35.8
282.25308	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	282.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
85.62864	0.2
108.35502	0.3
127.78777	0.3
129.03831	0.2
131.20084	0.3
171.98126	0.2
246.84004	0.3
282.25229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
50.61325	0.5
52.83508	0.5
54.25541	0.5
56.99726	0.5
58.39560	0.6
59.01368	2.9
74.96571	0.6
78.95325	0.5
80.15804	0.6
90.80231	0.5
98.50951	0.6
117.03417	0.9
178.08636	0.6
241.64299	0.6
244.86797	0.6
262.07440	0.7
267.02905	0.7
268.03766	97.8
283.06110	100.0
283.13568	2.1
283.19162	3.9
283.26401	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	283.0683
Annotation	Xanthosine
Peak:m/z	Relative Intensity
59.01354	1.5
71.01362	0.4
73.31528	0.3
74.25835	0.3
80.00172	0.3
96.96015	0.4
102.98561	0.4
103.04041	0.5
106.04245	2.5
108.02023	2.6
119.05000	0.8
121.06555	2.1
123.04507	0.6
151.02592	100.0
163.04015	0.7
164.43091	0.4
165.05550	0.4
194.47083	0.3
205.19757	0.4
233.64139	0.3
239.05417	0.4
247.09178	0.3
272.16599	0.4
283.06839	26.7
283.26398	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66230	0.4
51.88548	0.4
59.01382	22.2
61.27283	0.5
76.18670	0.5
87.00864	100.0
96.96046	0.5
102.98539	0.5
107.80972	0.6
108.02165	0.7
119.05015	1.9
121.02950	0.8
121.06586	3.7
123.04513	3.6
124.01590	0.7
135.04524	8.7
136.05295	11.8
145.54666	0.5
151.04027	3.4
151.07642	6.8
161.06082	1.1
165.91934	0.5
167.03531	0.7
177.05530	0.7
195.06625	90.6
221.08162	4.3
260.35016	0.6
283.08240	35.6
283.11703	1.9
283.23221	1.0
283.26428	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	283.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04681	0.6
57.97251	0.6
59.01364	4.3
59.24713	0.7
64.35849	0.8
67.01886	0.7
69.86896	0.6
71.01332	0.8
75.00165	0.7
85.06634	0.7
87.00845	1.2
96.52776	0.7
96.95969	1.2
102.98576	5.4
105.65538	0.7
114.46737	0.8
121.02941	1.0
123.04504	0.8
150.03177	20.2
151.04001	0.9
162.03267	1.3
165.05528	62.3
180.04240	11.2
194.05849	3.5
195.06609	100.0
203.19418	0.8
209.04488	2.9
209.08218	1.5
221.04655	1.3
223.06143	1.7
239.09190	1.5
253.07144	1.6
283.04681	6.7
283.08224	11.0
283.19238	1.5
283.26407	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	283.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74868	0.3
56.70114	0.3
59.01377	100.0
86.38431	0.4
86.94191	0.3
105.06574	0.3
217.21970	0.3
223.13460	1.4
283.12051	0.4
283.15488	1.3
283.26407	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	284.011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42344	0.6
56.17728	0.6
59.01369	1.9
59.70131	0.7
61.86753	0.8
73.04996	0.7
85.31540	0.7
94.40073	0.8
99.40391	0.9
99.98887	4.0
140.02087	1.3
141.99936	100.0
177.77371	0.8
184.00974	35.1
202.02599	1.4
241.99884	1.4
284.01086	62.8
284.26727	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	284.2232
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
50.08801	0.8
71.30933	0.9
74.02472	100.0
80.18410	0.8
84.04545	1.2
101.48946	1.0
120.22874	0.9
126.93211	0.8
204.00471	0.9
240.23410	7.6
284.22333	70.4
284.26761	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	285.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01380	41.7
70.02956	0.8
83.05014	0.9
87.00855	2.0
119.04987	8.7
120.99636	17.7
121.06531	1.1
123.00869	3.6
138.03203	4.7
153.05534	3.6
161.09663	0.8
163.03951	1.1
166.99854	3.9
167.03499	1.0
170.11841	3.5
182.02194	55.1
197.04549	100.0
198.14929	1.8
203.02296	1.3
212.24434	0.8
224.12956	1.7
225.16086	5.5
226.04880	1.0
241.15601	4.8
285.06079	3.5
285.09753	1.3
285.14218	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	285.0768
Annotation	3,7-Dihydroxy-6-methoxyflavanone
Peak:m/z	Relative Intensity
50.68345	1.3
53.24907	1.1
53.94219	1.2
59.01088	1.6
59.01378	43.9
59.18690	1.3
60.08070	1.3
61.95593	1.5
65.00320	3.5
81.34252	1.5
89.00323	1.7
92.39492	1.4
93.03446	20.0
94.09415	1.4
97.02926	6.5
119.05004	100.0
121.02917	6.5
122.24352	1.6
129.09200	1.5
149.99536	2.4
155.10754	3.4
165.01906	86.1
179.03513	2.7
185.72455	1.4
201.11324	1.7
202.98701	3.0
203.02211	12.0
217.00241	2.2
225.16148	3.1
285.07684	81.4
285.11578	6.0
285.17694	2.5
285.20703	40.6
285.26968	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
62.11853	0.8
62.57467	0.9
72.92924	0.8
74.39401	0.9
85.57229	0.8
86.10894	0.8
92.18453	1.0
94.62903	0.8
98.99508	0.8
112.57737	0.9
121.31837	0.9
171.11447	1.0
285.04129	1.1
285.08017	4.0
285.13098	2.1
285.17215	1.6
285.26825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.75528	0.6
52.08273	0.6
52.55345	0.6
56.13565	0.6
59.01378	24.2
59.32573	0.6
63.72070	0.7
102.81891	0.7
110.57990	0.9
111.08144	1.5
123.08266	0.7
123.36302	0.8
125.09743	3.1
125.23268	0.8
127.11243	1.5
141.12839	1.6
170.96675	0.8
171.53038	0.8
174.99243	1.1
202.98805	1.5
203.02261	8.9
225.16129	1.2
239.20178	4.2
267.19632	0.9
285.20712	100.0
299.34784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11919	0.7
59.01382	9.1
61.55970	0.8
61.98830	1.7
62.00515	0.9
69.07337	0.8
75.00860	100.0
77.73215	1.0
81.82991	0.8
83.67594	0.8
86.05235	0.7
119.40411	0.9
129.16158	1.0
176.50046	0.9
227.17923	2.1
227.20157	51.7
278.55768	1.0
285.20721	13.3
285.23792	1.5
287.05420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2436
Annotation	17-hydroxyheptadecanoic acid
Peak:m/z	Relative Intensity
59.01379	100.0
61.86287	3.0
61.98837	3.4
64.36570	3.3
72.99315	3.9
88.98740	3.7
112.26213	3.0
117.93093	3.8
118.82877	3.2
125.74323	3.6
161.23184	3.6
170.77277	3.9
189.77519	4.0
202.98775	14.4
203.02333	21.5
225.16093	5.2
236.35968	3.5
241.97235	3.4
285.24332	54.6
285.27158	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	287.0562
Annotation	1,7-Dihydroxy-3,5-dimethoxyxanthone
Peak:m/z	Relative Intensity
59.01379	6.5
61.88810	1.2
80.60509	1.1
91.00631	1.2
98.29294	1.2
100.82269	1.2
159.04459	1.8
176.04669	1.3
185.06073	1.9
187.04013	5.0
188.04855	1.6
199.03976	1.8
200.04735	1.6
210.03185	1.5
211.04036	11.3
213.05594	2.0
215.03528	3.0
227.03572	6.0
228.04265	57.9
229.05064	5.8
231.02953	25.3
239.03537	21.4
240.04234	10.6
243.02905	2.6
243.06612	2.0
257.04550	63.4
272.03381	6.0
272.06909	33.9
287.05603	100.0
287.09225	55.8
287.14957	7.1
287.18619	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	287.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23019	1.0
54.08459	0.9
59.01381	8.0
64.72784	0.9
64.73119	1.1
65.78223	1.0
68.82796	1.2
78.85419	1.1
83.05000	1.9
85.02949	1.5
85.34933	0.9
87.00876	1.4
89.83241	1.2
95.05031	1.3
99.04521	1.6
115.03989	1.5
121.06480	1.2
125.06147	1.5
167.03523	1.5
173.03592	2.9
183.05602	10.3
199.08852	1.4
215.04652	37.5
243.07803	2.5
287.06760	100.0
287.11591	4.2
287.14941	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	287.0902
Annotation	Aglaidithioduline
Peak:m/z	Relative Intensity
51.81313	11.3
59.01376	65.6
62.83556	10.6
64.03668	11.5
67.99730	12.1
70.24637	11.9
80.39104	13.8
86.02790	13.5
96.96967	18.8
125.02440	28.1
136.03987	14.4
136.99161	18.8
139.11679	14.8
153.48233	14.0
171.23674	14.2
217.71004	18.3
243.07787	20.5
287.09045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0925
Annotation	Aristogin E
Peak:m/z	Relative Intensity
52.63641	0.8
57.38410	0.8
59.01378	4.5
65.06755	0.9
72.04247	0.9
75.95891	0.9
93.03445	46.7
108.02157	28.0
109.15856	1.2
120.02159	10.5
132.21669	0.9
148.01672	3.9
153.05582	1.7
163.04039	9.8
185.32950	1.2
228.04285	1.9
242.05772	8.7
257.08194	100.0
287.06012	2.5
287.09238	40.6
287.14645	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	287.0928
Annotation	Plakinidine D
Peak:m/z	Relative Intensity
59.01381	6.3
71.65111	1.2
71.67365	1.1
102.00020	1.3
136.01686	1.6
159.04492	1.8
185.06053	2.4
187.03989	4.9
200.04684	2.0
211.03979	13.7
213.05673	7.9
215.03508	2.4
227.03532	3.1
228.04283	50.8
229.05055	10.5
231.02975	25.1
234.94774	1.4
239.03514	32.1
240.04260	15.8
243.02878	1.8
257.04578	100.0
272.03870	2.9
272.06903	53.7
272.09839	2.2
287.05618	90.5
287.09244	88.4
287.14859	5.8
287.18585	2.1
306.65909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2226
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.81453	1.9
59.52746	2.0
59.80154	1.8
109.24254	2.3
128.64119	2.2
137.91385	2.3
149.81740	2.2
155.14410	2.7
163.54878	2.3
171.13828	3.4
175.62732	2.3
196.88435	2.6
207.22696	3.1
287.16718	3.5
287.22260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
60.78078	0.1
69.77573	0.1
75.40511	0.1
85.69792	0.1
113.09711	0.9
125.09723	0.3
126.89377	0.1
127.11244	1.5
141.12868	0.3
143.10799	1.3
158.98294	0.2
223.20721	0.2
239.20097	0.7
241.21767	2.2
269.21237	3.0
285.20602	1.2
287.22284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
54.98603	0.6
56.10081	0.6
57.03453	3.6
59.01385	0.9
62.10825	0.7
68.53918	0.7
71.01370	0.8
71.64875	0.7
91.98701	0.7
96.78329	0.7
105.54158	0.8
112.10352	0.7
127.07634	1.1
128.68939	0.8
157.35648	0.7
185.11830	1.7
199.13275	1.0
213.14980	1.6
225.22174	9.4
227.16521	1.1
241.18141	1.2
251.20181	1.2
254.22052	4.3
269.21222	100.0
270.21512	5.0
287.22244	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	1.0
60.66291	0.7
68.69551	0.7
71.01379	0.7
72.00920	1.1
74.02474	31.8
80.07642	0.8
82.02995	6.2
84.04549	0.9
86.02484	1.0
98.06113	2.0
99.92573	1.8
100.00381	1.5
100.04039	9.8
102.05627	10.5
105.15236	0.9
112.04034	9.3
112.33519	0.8
115.08762	28.0
115.92075	1.0
116.92850	1.4
123.05593	1.4
124.04044	1.4
125.07192	6.3
127.05135	4.7
128.03534	32.6
141.06721	20.0
145.06160	4.5
146.04591	4.7
146.05679	1.1
151.08759	11.9
152.07286	1.9
159.06396	1.6
159.07741	35.3
167.04662	6.3
169.09827	9.9
185.05687	1.3
195.07767	40.4
208.10957	3.9
213.08894	7.7
226.12013	21.3
253.08350	1.5
270.08167	1.8
270.10983	40.2
286.10175	0.9
287.58917	1.0
288.12045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
54.78877	1.4
55.94738	1.2
56.54972	1.5
57.03438	1.4
59.01372	12.6
65.80392	1.4
77.60421	1.5
80.96542	1.6
81.03452	3.0
83.01360	2.0
83.05022	1.7
95.05045	7.0
96.95993	2.1
97.02942	9.5
109.02935	32.6
115.03996	8.7
121.02939	1.7
123.04523	18.4
125.02457	19.9
125.06034	1.8
129.00827	1.5
137.02422	11.9
139.04021	2.6
149.02419	7.6
151.04016	16.4
160.05254	2.0
161.02441	1.6
161.06050	8.1
165.01883	6.0
167.03488	3.1
172.85376	1.9
175.03954	2.3
175.90488	2.0
179.03491	10.8
187.03967	3.3
188.04805	3.4
191.80748	1.6
202.06354	2.2
202.98677	2.1
203.07144	17.3
205.05072	9.6
221.08179	6.3
227.07167	2.4
230.05811	1.8
245.08185	28.9
252.47658	1.9
271.05975	1.9
289.07166	100.0
289.16537	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	289.1659
Annotation	oscr#14
Peak:m/z	Relative Intensity
51.45868	0.2
53.81873	0.2
54.07091	0.2
59.01380	1.3
66.86232	0.2
74.85915	0.3
87.59358	0.2
91.03989	0.3
114.23756	0.3
123.78957	0.3
125.09764	0.4
153.12856	32.4
171.13887	0.5
197.11847	62.2
215.12894	100.0
232.63998	0.3
235.54288	0.3
253.66238	0.3
289.16577	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	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
54.61820	0.4
59.01387	0.7
63.89278	0.4
71.56448	0.5
81.89576	0.4
86.40784	0.4
119.08665	1.9
120.60329	0.4
127.61986	0.5
137.03511	0.5
187.21625	0.6
257.15460	1.7
289.18100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1605
Annotation	7-Demethoxy-7-oxo-albocycline
Peak:m/z	Relative Intensity
57.03447	1.5
59.01378	4.8
60.35020	0.4
63.26568	0.3
71.01380	0.9
75.64648	0.4
102.07072	0.4
111.04514	0.4
128.79999	0.4
140.11131	0.4
147.08145	1.5
149.09732	1.8
161.09724	0.9
187.11259	1.4
189.12854	2.2
201.12834	6.1
210.08844	0.4
211.03603	2.2
215.14441	1.8
217.15971	38.3
219.13960	0.5
229.15952	10.9
241.12344	4.6
243.13911	8.9
247.17076	0.8
261.14975	19.3
273.14905	4.3
276.02774	0.4
291.16037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01384	0.9
61.50253	0.8
71.43760	0.7
79.17795	0.7
85.23850	0.7
94.47047	0.7
97.06554	0.8
111.08171	1.1
111.76880	0.7
121.10236	13.5
125.09664	6.1
147.08144	0.9
185.11821	16.0
195.13885	1.6
197.11787	1.8
209.11868	1.2
211.13373	1.2
223.13181	1.0
247.20602	1.3
273.18686	0.9
276.96579	0.7
291.19666	100.0
304.54404	0.8
305.66501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
54.69412	0.5
60.55109	0.5
62.67225	0.5
73.02946	51.8
105.25320	0.6
143.77803	0.7
161.94002	0.6
247.20677	0.7
291.19690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0662
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
57.74556	0.9
59.01371	2.0
61.03214	1.1
78.01591	1.2
93.97314	1.1
105.03451	1.5
123.04472	2.5
133.02939	20.9
133.05185	5.8
145.02957	1.3
146.03645	1.9
147.04379	1.4
160.05280	2.6
161.06038	5.9
175.07629	1.5
177.01910	7.1
189.05571	1.7
190.06406	1.4
204.04253	100.0
205.05054	2.3
205.08673	1.8
219.06604	31.4
234.05347	9.3
239.09258	1.1
242.55875	1.2
249.04102	1.4
249.07878	1.3
275.51065	1.1
278.04288	12.0
293.03113	7.4
293.06638	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	293.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40747	0.6
55.82197	0.8
59.01378	6.7
71.01360	1.1
72.00894	6.5
73.63956	0.6
73.67387	0.6
75.95816	0.6
89.02451	0.9
92.05033	3.1
100.00387	100.0
100.04031	4.4
119.03480	1.0
119.62701	0.8
120.04526	9.9
127.05092	0.9
133.03920	3.6
141.51707	0.7
143.05003	0.9
144.03001	52.9
147.04448	2.4
148.06267	73.3
157.02921	4.0
163.05020	1.0
164.03499	4.6
164.07108	1.5
175.03978	5.1
185.32442	0.7
205.05077	4.9
231.07689	0.8
249.07404	4.5
275.06924	0.6
275.10321	1.6
293.03253	0.8
293.07007	7.5
293.10211	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	293.1143
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
50.91130	1.2
55.97717	1.3
59.01381	21.2
62.47520	1.6
64.49216	1.4
71.01380	10.2
72.00935	1.5
76.31875	1.4
82.34578	1.5
84.04552	2.7
85.02949	2.9
85.06536	2.7
88.05762	1.5
89.02440	11.1
91.05544	1.9
101.02454	8.3
107.24272	1.6
109.04028	3.2
113.02414	2.7
113.06101	1.8
119.03449	3.1
120.04549	2.6
127.05111	24.3
128.03522	100.0
130.08760	2.4
131.07124	30.8
132.10733	1.6
133.02950	3.3
147.04480	21.1
164.07167	64.7
177.02026	1.5
178.65680	1.7
185.06868	1.7
213.10353	2.7
257.09335	10.3
275.10388	23.8
293.07025	3.7
293.12326	56.5
293.15195	4.8
301.47119	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38755	0.8
54.46382	0.8
55.75796	1.0
59.01377	100.0
71.01373	25.4
73.02936	8.0
74.99098	1.5
80.96487	1.1
83.01366	1.7
85.02938	10.7
87.04488	1.1
89.02440	7.8
92.05048	2.0
95.01378	1.9
96.96058	1.2
99.00871	3.8
101.02440	21.6
111.79651	1.0
113.02438	12.3
118.66950	1.1
120.04523	14.5
125.02407	1.8
150.12183	0.9
161.04555	14.1
163.05142	3.5
164.03528	8.1
205.09753	1.4
231.07843	1.1
249.08763	2.6
251.11320	41.5
256.51440	1.1
263.02481	0.9
264.98419	1.4
265.41071	1.0
275.06750	1.5
293.03464	1.3
293.07593	14.1
293.12231	1.9
293.21219	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56115	0.7
58.82783	0.7
59.01375	29.7
71.01371	15.0
72.64380	0.9
73.02917	0.8
80.96521	1.2
83.01350	1.3
83.29527	1.0
85.02943	2.3
85.06581	7.1
89.02431	18.4
92.18368	0.9
101.02419	14.2
113.02391	6.4
113.06053	4.5
115.07649	1.6
119.03472	6.5
120.04529	1.1
124.57290	0.9
127.07660	1.4
131.07111	57.9
131.08105	1.9
133.02942	5.1
136.01648	5.4
151.04056	1.3
173.08125	1.1
175.03947	1.5
177.01920	1.6
195.02986	5.5
201.14655	1.0
206.32777	1.0
208.28299	1.0
248.93785	3.4
293.07025	4.2
293.12424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19904	0.3
57.03454	1.7
59.01395	0.9
66.25072	0.4
83.04987	0.4
88.98524	0.4
92.18476	0.5
96.95998	2.0
101.91159	0.4
113.09725	11.6
139.11298	2.2
153.12865	0.7
165.53786	0.5
167.10779	2.2
179.10738	0.7
191.18039	2.3
195.13916	2.4
198.83913	0.4
211.17041	2.4
216.45250	0.4
220.14606	3.5
221.15466	8.2
233.38889	0.5
236.10541	4.4
247.20755	0.8
249.22249	2.0
275.20349	1.6
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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29338	0.4
51.50276	0.4
52.87864	0.3
57.03440	0.9
59.01376	0.9
68.57201	0.4
74.74262	0.4
84.01059	0.4
97.06561	0.8
106.04111	1.1
113.09705	4.7
123.90128	0.6
125.09728	3.2
141.12808	1.0
142.16240	0.5
144.92046	0.5
149.09766	1.5
167.10753	0.6
168.13316	0.5
178.76247	0.5
185.11807	9.9
194.97417	2.8
195.13918	0.6
197.11850	1.1
220.14716	2.6
221.15482	6.2
228.40729	0.4
236.10477	5.0
258.86316	0.5
272.39862	0.5
283.00696	0.4
293.17831	5.1
293.21201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
71.05004	4.3
72.80694	0.8
75.53659	1.0
77.62646	0.9
79.61681	0.9
89.25748	0.9
92.18414	1.1
98.99770	1.1
113.09714	7.2
126.40691	0.9
223.16992	4.1
231.21103	1.2
235.17007	25.0
275.20135	30.5
293.21213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43391	0.8
57.03446	1.5
59.01370	1.3
63.90853	0.6
65.32848	0.6
68.93691	0.7
77.67868	0.7
80.58003	0.8
98.54372	0.7
113.09715	19.6
121.10227	0.9
139.11313	1.8
149.09752	0.9
150.86391	0.7
167.10822	1.3
171.10249	4.6
171.12479	0.7
179.10777	1.4
195.13892	3.2
249.22098	0.8
252.70213	0.9
275.20135	7.6
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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81728	0.4
57.03431	0.8
62.32730	0.4
97.06583	0.9
101.44241	0.4
112.40734	0.4
123.08113	0.6
125.09701	4.8
126.39326	0.4
141.12865	0.9
149.09703	2.5
154.54892	0.4
161.95689	0.4
165.12848	0.5
185.11813	12.3
197.11816	2.9
249.22189	0.6
293.21231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96395	0.3
57.03436	0.3
66.11169	0.3
97.06597	1.3
125.09717	3.5
141.12875	1.5
149.09726	2.2
185.11832	13.4
197.11859	3.0
211.13396	0.4
219.94463	0.3
249.22397	1.1
275.20126	0.5
293.21262	100.0
297.40195	0.3
300.26245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39506	0.4
55.18816	0.4
57.03447	2.3
58.03323	0.4
59.01384	2.3
63.54813	0.5
74.63433	0.4
80.23586	0.5
97.06593	0.5
107.11623	0.5
109.06580	0.5
111.81628	0.5
113.09727	20.2
139.11292	2.0
144.60718	0.6
167.10767	3.6
177.12927	1.0
179.10822	2.1
183.13907	2.1
186.96747	0.5
195.13884	4.6
217.35718	0.6
223.13319	0.9
241.40054	0.5
249.22322	2.1
275.20123	2.3
281.59009	0.5
293.21274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27890	0.4
51.36947	0.4
55.65432	0.4
57.03429	0.6
59.01383	0.4
66.94975	0.4
71.80050	0.4
76.65141	0.5
81.22131	0.4
96.43004	0.6
96.95991	5.8
99.08135	2.1
109.06551	0.7
113.09695	2.0
124.75259	0.5
125.09700	0.5
127.11269	0.7
165.12769	3.5
191.14395	1.9
193.15869	0.5
202.50339	0.5
220.14691	0.9
221.15482	3.7
236.10541	3.1
275.20322	0.5
293.17953	8.7
293.21188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01372	0.5
71.01368	0.3
91.73251	0.3
96.95997	6.2
114.77064	0.3
196.99295	0.3
198.58369	0.3
220.14565	2.5
221.15475	7.1
236.10556	4.4
261.25198	0.3
275.23853	0.5
293.18140	11.7
293.21552	4.4
293.24860	100.0
305.86514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2437
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
50.14560	0.2
50.53899	0.2
60.33907	0.2
66.03483	0.6
70.24844	0.3
72.03902	0.3
72.67265	0.3
80.05066	1.2
82.86031	0.2
86.43426	0.3
94.06587	0.5
96.95998	0.3
106.04079	0.3
108.08152	0.3
109.26875	0.3
115.14160	0.3
119.74234	0.3
221.15218	0.7
222.15860	1.3
237.10948	0.6
250.25441	0.5
253.21713	0.3
276.23343	1.7
294.24380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32090	1.5
57.03460	2.3
59.01371	8.3
91.12463	1.8
96.96012	2.4
100.00403	18.5
111.00874	13.1
135.08153	2.5
136.01689	4.0
139.00330	3.5
147.04482	4.2
151.03943	2.9
153.40799	1.9
159.04495	3.6
160.05296	7.5
161.02473	2.0
164.01152	3.4
165.05551	1.9
168.01190	15.1
173.00903	2.0
175.04031	16.4
175.72054	1.9
176.04773	10.8
177.01971	4.0
177.05544	3.8
179.00458	55.9
179.03465	11.8
180.04120	2.5
186.03185	9.6
189.05646	2.0
189.12947	2.8
190.06354	2.1
191.03436	6.9
191.06989	2.0
192.04260	29.7
193.02104	3.8
193.05165	2.2
194.02798	41.3
197.13550	1.9
203.03477	15.9
204.04218	17.3
205.12303	3.7
207.06595	40.9
207.13930	3.9
219.06767	7.3
233.11688	2.2
235.06216	4.6
236.02643	10.8
247.02478	16.3
251.04941	49.8
251.12872	38.4
262.04849	61.3
263.05615	50.2
265.03342	15.5
277.07162	57.9
280.05823	29.5
295.03976	38.7
295.08215	100.0
295.11838	26.1
295.15463	21.7
295.22803	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	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60686	0.5
55.05758	0.4
56.96849	0.5
57.03459	0.5
59.01385	47.8
62.50943	0.5
65.93250	0.5
68.43571	0.5
71.01022	1.1
71.01386	20.8
71.05010	0.8
72.99293	0.7
73.02950	2.8
76.47416	0.6
83.01389	1.1
85.02945	6.5
87.00878	2.6
89.02441	29.9
89.03003	1.0
90.16679	0.6
95.01379	1.0
99.00870	0.8
101.02440	21.9
102.10834	0.5
104.73698	0.5
113.02444	13.6
115.00354	0.7
115.04007	4.0
117.05603	1.0
119.03490	11.1
120.99683	0.8
128.03563	6.6
132.06631	1.2
133.05061	1.4
138.05646	2.3
143.03503	1.2
149.74284	0.6
161.04593	4.2
166.05101	10.5
174.05594	0.7
179.05609	1.0
233.09267	7.5
235.08168	1.2
255.12029	0.7
277.08475	0.7
295.10376	100.0
295.22858	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1188
Annotation	Amotin
Peak:m/z	Relative Intensity
53.09264	2.3
56.65524	1.9
57.03448	3.3
57.43781	2.3
59.01379	15.2
71.01376	9.4
72.99341	3.2
74.67725	2.1
80.33407	2.1
82.10249	2.7
83.05017	3.6
83.42124	2.4
85.02954	14.4
95.05019	16.8
109.02917	4.2
111.00868	46.0
111.04487	10.0
111.08170	2.8
113.06080	19.4
115.00397	5.3
115.03980	2.8
119.04988	26.5
121.06522	4.1
133.01419	28.7
135.04495	5.6
137.06081	11.2
145.02969	17.2
149.04564	3.6
149.09727	12.3
154.99806	9.6
163.04002	38.8
165.09256	6.2
173.00844	18.1
175.03987	3.9
189.12842	63.4
205.05113	3.0
205.12398	2.6
207.13950	4.6
235.06061	16.9
251.12871	69.2
263.05615	5.6
280.05835	4.0
295.04929	3.4
295.08246	27.2
295.11877	100.0
295.22742	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	295.1913
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
50.09190	0.2
50.97692	0.2
59.01373	0.4
59.12935	0.2
59.16054	0.3
65.77557	0.3
65.80592	0.2
71.01374	0.3
85.76177	0.3
111.04514	1.6
135.49939	0.4
143.36467	0.3
150.92477	0.4
163.61792	0.3
169.06268	0.3
181.07014	0.3
190.73892	0.3
195.13948	1.3
223.20622	0.4
230.55002	0.3
233.19209	1.4
251.20158	45.3
259.17087	1.5
267.19623	0.4
277.18118	9.6
277.21637	1.9
295.19165	100.0
295.22632	8.9
303.00104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
71.01351	0.6
92.57072	0.4
95.05012	0.9
105.92059	0.4
113.09695	3.0
115.35587	0.4
171.10208	0.7
179.14366	1.6
181.12439	0.4
194.97446	0.5
223.20627	9.9
251.23932	0.6
277.21649	2.4
295.22754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.51586	0.5
59.01372	1.7
62.90221	0.6
157.08667	10.0
161.36081	0.6
195.13898	21.4
209.15433	5.7
217.28813	0.7
233.22603	0.9
277.21725	39.0
295.22781	100.0
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	13(S)-HODE
Peak:m/z	Relative Intensity
51.67728	0.2
57.03440	0.2
59.01379	0.4
72.49538	0.2
92.19064	0.5
125.09715	0.4
141.12851	2.0
151.11317	1.2
153.12885	0.5
169.12311	3.1
172.49884	0.3
179.14346	0.3
197.11807	2.8
251.23817	1.1
277.21729	11.1
293.21326	0.3
295.22794	100.0
308.18848	0.3
316.89175	0.3
319.15637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.01268	0.6
56.40240	0.7
59.01399	0.7
60.38200	0.6
64.14817	0.7
72.27077	0.8
125.09767	1.1
126.11003	0.7
138.48653	0.7
171.10257	30.5
188.93260	0.8
212.50981	0.8
277.21698	42.1
278.75784	0.9
295.22769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
56.92169	0.4
59.01371	0.9
59.31828	0.5
62.59348	0.4
100.02925	0.5
113.09762	0.7
139.28473	0.5
146.27092	0.5
171.10239	11.6
183.10263	3.2
195.13881	14.0
275.20230	0.5
277.21701	37.3
289.97681	0.5
295.22766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01368	2.0
67.60834	0.5
79.42233	0.5
80.32918	0.5
92.01821	0.5
113.09693	2.6
126.18414	0.6
144.21886	0.5
154.45093	0.5
162.39099	0.5
183.13907	4.1
195.13882	19.8
201.21379	0.5
277.21704	20.4
295.22766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12405	0.7
57.04204	0.7
63.59071	0.9
74.79144	0.8
78.65495	0.8
79.02431	0.8
79.10272	0.8
82.58679	0.8
114.13350	0.9
125.09712	1.6
171.10251	35.7
183.10266	4.1
251.23871	1.0
277.19193	1.2
277.21710	44.4
295.22766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
63.23210	0.7
64.32310	0.7
65.86347	0.6
122.73074	0.7
175.30257	0.7
209.15468	42.5
223.17023	16.1
233.71004	0.8
277.21716	57.0
295.22769	100.0
296.54922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01357	2.7
61.98797	1.1
71.66055	0.7
71.89632	0.6
77.53018	0.8
78.42666	0.7
85.07899	0.6
106.04084	1.3
106.69488	0.8
120.71253	0.8
141.12851	7.3
155.14421	3.8
171.10187	1.5
184.09883	0.7
194.97348	1.4
195.13802	1.8
196.97336	0.9
198.53706	1.0
213.18565	5.0
249.22205	9.4
264.38834	0.8
277.21674	7.1
294.87024	1.0
295.22757	100.0
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	13(S)-HODE
Peak:m/z	Relative Intensity
57.03447	12.4
57.75573	0.4
59.01380	32.6
60.10329	0.4
68.85950	0.5
71.01372	5.1
79.18683	0.5
85.06582	0.8
85.90009	0.5
92.19004	0.9
110.00166	0.5
111.04496	0.9
128.44373	0.6
141.12830	0.7
165.74751	0.5
171.10249	0.8
183.13956	0.5
195.13908	1.0
197.89111	0.6
223.20720	0.9
249.22342	1.1
277.21680	6.3
295.22778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2641
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
50.71903	0.3
55.19641	0.3
60.60565	0.3
61.41828	0.3
106.04140	0.4
195.13882	0.7
277.21661	1.5
295.22919	7.5
295.26401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53680	0.7
65.60960	0.6
80.78005	0.6
91.14951	0.6
117.62857	0.9
125.09741	0.9
141.11829	0.8
163.06660	0.7
171.10268	13.5
172.10594	13.2
196.14323	0.9
219.90686	0.7
278.22073	45.9
296.23138	100.0
311.07260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48095	3.5
53.79131	3.6
59.01375	67.6
69.03459	4.6
71.01374	47.3
73.02925	51.9
81.21139	4.3
85.02940	35.8
97.02939	20.4
101.02417	85.9
103.04007	6.0
113.02464	15.8
115.03981	6.2
116.65423	4.9
146.03677	4.6
162.03183	81.6
163.06075	80.1
177.05545	73.8
186.43909	5.3
210.06833	6.8
221.05942	6.5
235.23010	5.3
238.06293	46.8
253.08727	6.6
261.22519	4.6
282.05319	46.3
297.08020	64.7
297.13464	100.0
297.16992	19.2
297.24347	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	297.1345
Annotation	Tehranolide
Peak:m/z	Relative Intensity
57.03444	2.3
59.01382	3.8
81.98167	1.0
87.04491	20.6
91.52819	1.1
97.06593	1.5
99.19173	1.2
109.06573	1.1
113.02473	8.3
139.11305	6.6
141.76915	1.0
156.67274	1.1
165.09216	2.0
165.12862	1.4
167.17967	1.1
173.84160	1.1
176.22681	1.2
191.14435	5.7
228.22359	1.0
235.13416	16.9
253.14435	37.9
258.48242	1.2
297.13504	100.0
297.17062	8.5
297.24292	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	297.2431
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.19360	0.3
65.96752	0.3
92.18364	0.7
97.25145	0.5
125.23882	0.5
135.60275	0.4
152.75851	0.4
208.18811	0.4
233.08437	0.4
251.23763	1.6
279.23102	2.0
295.22800	0.8
297.24326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01380	0.3
61.33585	0.2
62.16978	0.2
64.60545	0.2
65.87665	0.2
70.60221	0.2
84.88710	0.2
126.48649	0.2
126.52187	0.2
133.20338	0.2
137.09711	0.5
139.11281	0.5
141.12854	1.7
154.57370	0.2
155.10765	17.0
157.76363	0.2
180.18513	0.2
251.23981	0.4
261.22180	0.3
269.00140	0.2
279.23297	16.1
295.22809	0.9
297.24344	100.0
298.58405	0.2
301.78329	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	297.2432
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
88.10215	0.5
91.44501	0.5
93.82055	0.5
138.41130	0.5
171.10251	1.1
183.13887	46.6
190.09311	0.5
193.61259	0.4
279.23242	11.1
297.24335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11146	0.2
74.40125	0.2
88.39433	0.2
110.09657	0.2
139.11269	0.6
155.14458	0.6
183.13860	1.0
199.13446	2.7
225.22182	0.4
253.25327	1.4
279.23297	6.2
295.22815	0.5
297.24371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89854	0.3
73.52080	0.3
80.18150	0.3
85.54799	0.3
90.05903	0.3
94.19682	0.2
118.34271	0.3
127.11249	0.6
136.39886	0.3
141.12823	0.4
155.10800	3.2
171.10260	5.3
178.93129	0.3
261.22043	0.5
279.23328	9.6
283.03885	0.3
295.22800	0.6
297.24365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
71.12196	0.3
130.19180	0.3
235.74327	0.3
239.70236	0.4
244.08667	0.3
249.22455	0.4
251.23820	44.6
261.80472	0.3
261.85358	0.4
270.19098	0.3
279.23193	3.1
295.22836	0.4
297.24368	100.0
317.05188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2797
Annotation	Pristanic acid
Peak:m/z	Relative Intensity
62.10977	0.3
66.00915	0.3
83.02486	0.5
86.58530	0.4
92.18945	0.4
97.83571	0.4
101.63683	0.4
106.04078	0.7
126.52064	0.3
171.10201	0.7
235.76646	0.4
275.89334	0.4
279.22934	0.6
297.15253	1.3
297.24344	19.1
297.27902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42397	1.4
53.21768	1.1
56.16084	1.2
57.38565	1.2
68.65997	1.1
70.02953	1.6
136.10927	1.4
237.22267	8.5
254.24889	8.4
255.23318	15.1
267.83499	1.5
280.22702	6.1
281.21317	13.5
298.15588	2.2
298.20428	3.2
298.23941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94741	0.2
52.60689	0.2
62.69491	0.2
65.01432	0.2
66.00951	0.2
74.90210	0.2
80.34750	0.2
82.04087	0.3
92.18916	0.4
94.90969	0.2
106.04118	0.4
113.09654	0.3
171.10278	1.1
172.10684	0.8
183.13879	5.0
184.14227	7.3
185.11765	3.6
186.12144	5.0
197.15417	0.5
198.15805	1.1
252.24167	0.3
280.23651	4.8
296.23151	2.2
298.24673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20483	1.2
57.26835	1.3
58.85765	1.4
58.97997	1.3
65.50471	1.2
107.68159	1.6
118.07270	1.5
147.48123	1.5
153.34160	1.5
155.10811	6.0
156.11090	6.7
162.47064	1.6
172.10527	1.8
267.38947	1.4
280.23602	13.5
298.21304	3.5
298.24704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Diosmetin
Peak:m/z	Relative Intensity
51.61431	0.3
57.58531	0.4
59.01350	0.9
59.02184	0.4
64.34263	0.5
79.95676	0.6
108.28954	0.4
110.16611	0.4
114.88058	0.4
120.50090	0.4
137.02451	0.4
142.19833	0.4
146.62930	0.4
162.03165	0.6
196.36163	0.4
235.88942	0.4
256.03778	10.9
261.32883	0.4
269.04678	0.5
271.02484	0.9
282.24472	0.4
284.03259	100.0
296.52545	0.4
299.05612	63.3
299.08817	2.2
299.12988	1.9
299.18649	3.0
299.25690	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	299.0775
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
52.90519	0.1
55.01885	0.1
55.37212	0.1
58.81214	0.1
59.01372	0.5
61.35074	0.1
62.04459	0.1
64.88030	0.1
65.03996	0.1
71.01381	1.9
73.02941	0.8
83.01361	0.2
85.02946	1.2
89.02440	0.2
93.03450	37.5
99.00877	0.3
101.02433	1.0
102.14223	0.1
105.27839	0.1
108.02161	0.3
113.02436	0.7
123.04527	0.1
137.02441	100.0
152.01160	0.6
161.04579	0.2
167.03503	1.1
179.03539	0.8
188.50412	0.1
203.08301	0.2
221.57509	0.1
230.24316	0.1
239.05577	0.1
242.89279	0.1
252.50954	0.1
299.07715	3.0
299.25931	0.2
324.72977	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	299.0922
Annotation	5,7-Dihydroxy-4'-methoxy-8-methylflavanone
Peak:m/z	Relative Intensity
59.01368	8.4
62.45287	1.4
69.96095	1.8
74.99100	2.6
75.00867	1.9
87.37064	1.5
93.03429	2.7
105.03454	3.9
107.05007	4.3
107.35801	1.7
108.61803	1.9
121.02927	100.0
123.04426	2.4
135.04497	4.3
136.01682	7.5
137.02437	4.2
149.02412	99.8
151.04004	16.1
164.04774	15.4
167.07181	2.9
193.12221	2.0
195.04486	3.9
208.05299	2.1
215.22867	1.8
223.04012	18.2
224.04782	13.1
225.05582	4.4
227.03622	1.9
235.03934	8.2
236.04707	29.0
237.05533	8.0
239.07117	2.6
240.04289	17.1
241.05013	22.6
245.08702	1.9
251.03432	2.8
252.04233	55.0
253.05009	3.7
255.06595	54.0
256.07394	6.8
267.06601	23.1
269.04611	24.2
269.07492	3.1
270.09058	3.6
284.06876	61.5
299.09091	57.9
299.15109	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	299.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	7.1
62.06033	1.1
63.64385	1.3
64.98503	1.1
65.97736	1.1
68.37083	1.4
77.63082	1.1
93.03465	1.9
102.46580	1.3
115.76414	1.3
137.02403	5.7
149.02435	35.8
150.03204	32.5
153.61356	1.5
164.04791	37.4
175.43716	1.3
178.02713	22.7
182.02217	15.6
183.10251	1.7
187.95433	1.5
188.11206	1.5
191.03534	11.7
192.04297	8.3
193.05054	37.4
196.03769	30.3
204.12282	1.6
205.05042	1.4
225.11320	6.5
237.05405	2.3
237.15018	2.2
254.05835	19.2
255.06598	27.9
266.05826	22.1
269.04767	2.2
269.08206	14.3
271.02609	5.1
281.08200	11.3
284.06897	2.0
299.02106	2.7
299.09244	100.0
299.14963	7.7
299.18280	12.6
299.25504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59008	0.2
59.01368	0.4
68.77077	0.3
73.02944	0.3
77.91218	0.2
85.02935	0.3
97.65370	0.3
98.35020	0.3
114.70667	0.3
137.02409	0.3
150.03197	0.4
162.03226	1.1
169.06599	0.3
195.04472	0.3
196.05307	0.4
197.06030	2.0
211.04138	0.3
212.04776	0.6
213.05609	2.8
224.04759	0.5
225.05640	1.3
239.03670	0.4
240.04301	0.6
241.05077	27.7
251.03505	0.6
253.04979	2.0
254.06139	0.4
255.06725	1.0
255.11420	0.4
256.07510	0.5
266.05838	0.3
267.06662	0.3
268.07330	1.4
269.04568	100.0
283.06238	3.4
283.09378	0.4
284.06918	53.2
299.09265	87.8
299.18222	1.9
299.25858	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0923
Annotation	Dehydromelanoxin
Peak:m/z	Relative Intensity
54.07417	0.7
55.08350	0.8
55.62520	0.7
56.05935	0.7
59.01379	63.8
73.21181	0.8
79.95706	3.5
87.97466	0.9
90.35336	0.9
93.03452	15.1
97.06673	0.9
114.18309	0.8
147.00871	13.7
148.01654	12.6
156.99806	1.6
161.02399	7.3
162.03214	37.6
163.04027	1.3
174.99231	34.3
180.26624	1.0
196.97038	4.2
203.03419	1.6
217.00293	100.0
227.03529	3.9
228.04224	1.8
238.64372	1.1
241.05060	2.0
243.03110	1.1
253.05055	4.8
255.03061	1.4
256.03812	5.0
256.99103	1.8
267.06598	7.1
269.04517	16.6
271.02542	4.2
271.06219	1.8
283.05884	6.7
284.03671	2.5
284.06903	9.6
299.02353	12.0
299.05591	7.0
299.09241	51.2
299.13074	5.5
299.18716	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	299.1501
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
55.24617	0.3
59.01381	100.0
71.01361	0.7
78.90143	0.4
80.63332	0.4
85.53125	0.5
87.34563	0.4
89.02468	0.4
114.05569	0.6
135.98384	0.6
136.03864	0.4
167.03496	2.3
173.09537	0.5
174.99237	8.5
175.11290	0.5
217.00285	23.4
221.12003	0.9
239.13019	1.9
256.99173	0.5
299.07922	0.7
299.11356	1.7
299.15100	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	299.1655
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
50.92177	0.7
59.01366	4.7
62.69933	0.9
87.50043	0.9
96.09137	0.9
137.09752	1.6
148.03822	0.9
192.16457	0.8
217.00209	1.6
240.15262	3.9
245.89185	1.0
255.17528	13.7
263.16583	1.0
266.52649	0.8
281.17712	1.2
285.01837	1.1
299.16513	100.0
299.22195	6.8
311.59778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1655
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
53.46045	0.4
54.08620	0.4
54.73064	0.4
56.50355	0.5
59.01356	0.9
76.44001	0.5
93.03426	1.1
97.06554	0.6
101.06049	0.6
106.04174	3.3
111.08141	6.0
121.06568	4.4
123.08073	0.6
125.09705	13.6
147.04247	0.6
149.06017	1.2
149.09634	0.7
177.09180	9.4
191.10750	4.3
237.18623	5.6
281.17697	4.9
299.16272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22193	0.5
59.01377	0.8
74.90469	0.5
79.06427	0.5
82.04105	1.0
83.09912	0.5
170.87044	0.5
173.08377	0.6
214.78656	0.6
279.03625	0.6
299.20184	100.0
299.25314	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01380	98.3
73.79461	0.8
101.60773	0.9
299.25903	100.0
320.04144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.29265	0.3
62.37365	0.3
72.99300	0.3
138.85585	0.3
189.40350	0.3
206.59117	0.3
251.23738	2.8
253.25366	74.6
261.23886	0.3
281.24905	2.1
297.24438	0.4
299.25906	100.0
317.31851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2592
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.65241	0.2
58.03386	0.3
60.27999	0.2
61.73030	0.3
63.03076	0.3
66.33723	0.2
69.79486	0.2
70.36916	0.2
74.87267	0.2
75.50381	0.2
104.82521	0.2
121.07262	0.3
125.13023	0.2
125.58115	0.2
132.80084	0.2
160.46152	0.3
199.65700	0.2
217.07224	0.4
218.13617	0.3
237.22305	0.3
253.25452	4.7
281.24854	1.7
297.24313	0.5
299.25949	100.0
300.07761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2589
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
53.08632	1.3
54.52933	1.2
61.34962	1.2
61.98813	1.5
67.80109	1.5
93.66904	1.3
98.48750	1.5
128.34955	1.3
139.32820	1.3
140.23076	1.6
162.18010	1.4
163.97516	1.5
188.42224	1.6
253.25409	3.3
259.56732	1.4
281.24820	1.7
299.20456	4.5
299.25882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00389	0.3
53.08173	0.3
59.01389	2.6
59.01629	0.3
61.73885	0.3
65.44054	0.3
68.01418	1.9
71.01367	0.4
84.80920	0.3
88.04027	0.7
90.16595	0.3
92.42572	0.4
93.03492	0.4
96.00948	0.3
96.04578	0.3
119.05006	2.7
122.48226	0.4
123.03266	2.0
124.07650	0.8
130.08742	1.5
132.03033	3.0
136.04050	1.6
136.07680	0.4
138.05623	100.0
152.07193	2.0
161.41557	0.4
167.05864	3.4
168.06653	0.4
180.06673	7.2
185.02187	0.3
199.66792	0.4
210.07661	0.6
241.59390	0.4
251.15915	0.4
300.10938	28.6
300.19342	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	300.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
59.38626	0.2
68.01409	0.2
69.37379	0.2
71.01367	0.2
72.26910	0.2
72.99294	0.4
74.73012	0.1
79.95731	0.3
87.87052	0.2
91.67608	0.1
92.39592	0.2
93.03436	0.7
94.03745	0.4
122.06120	0.2
123.03241	3.0
124.00722	0.8
124.07570	0.2
126.85970	0.2
137.02412	1.5
137.04768	0.2
138.02763	1.8
138.05588	100.0
152.07141	0.4
165.04280	0.2
167.05830	1.0
180.06639	3.0
212.09219	0.3
217.78175	0.1
267.08322	0.2
277.76181	0.2
285.03018	0.2
300.05328	0.9
300.10837	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	301.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32920	0.2
57.21128	0.2
59.01373	43.9
70.04144	0.2
114.98814	0.5
115.02494	5.5
117.00417	8.6
127.87021	0.3
156.99902	0.4
157.03514	2.2
159.01465	100.0
188.22922	0.3
201.02522	23.9
217.00500	1.1
224.30997	0.3
241.00542	0.4
259.01587	3.6
283.01587	0.4
301.02637	67.6
303.87207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0352
Annotation	Bracteatin
Peak:m/z	Relative Intensity
51.32905	0.8
53.12855	0.7
57.03440	1.2
59.01373	7.3
59.02590	0.8
65.00320	1.1
83.01382	3.6
86.50879	0.9
87.04489	1.2
93.03459	3.7
100.84269	0.8
107.01379	1.6
109.02933	1.1
111.00877	1.1
121.02916	8.0
123.04515	1.1
125.02431	27.1
127.31909	0.9
135.04546	2.3
137.02461	2.1
145.02885	1.0
149.02438	7.6
151.00357	11.7
157.19246	0.8
159.04477	1.6
161.02527	1.3
163.04022	3.9
165.02007	1.1
171.04381	1.2
173.25726	1.0
175.04027	1.1
177.05574	1.0
178.99829	4.3
183.04541	2.2
183.10226	1.0
185.06104	1.2
187.04005	5.8
191.03484	4.4
199.04062	1.1
205.04973	1.5
211.03979	4.8
214.02847	1.0
215.03616	5.5
227.03548	4.0
228.04265	5.6
229.04962	2.2
231.03004	5.3
243.02827	1.2
245.04666	2.0
255.02997	6.1
257.04559	2.0
273.04056	42.4
273.07080	1.3
286.04965	6.8
301.03519	100.0
301.07135	18.6
301.12885	1.5
301.16492	4.2
308.21362	1.0
312.42834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	Quinquangulone
Peak:m/z	Relative Intensity
59.01385	0.9
61.25426	0.4
64.90301	0.4
65.42989	0.4
68.88864	0.3
79.01895	0.4
90.33624	0.4
90.39141	0.4
94.94344	0.4
107.01367	0.9
115.45779	0.4
123.00874	2.0
125.02424	0.6
131.63557	0.4
134.00114	0.6
135.00861	4.9
136.01628	15.3
137.02425	1.1
141.01854	0.4
142.53497	0.4
146.48355	0.5
149.02451	1.7
150.09074	0.4
150.99127	0.8
151.00352	19.1
151.01501	0.7
151.03983	28.5
152.01111	1.5
153.01897	0.7
166.02695	1.0
167.57043	0.4
183.13899	2.4
198.03360	0.7
206.48157	0.6
210.73618	0.5
211.04077	1.0
226.02698	3.4
227.03528	1.0
239.03473	3.6
255.02986	14.9
259.06094	2.8
269.04562	4.6
285.04016	0.6
286.04825	84.3
287.05597	2.0
301.07166	100.0
301.20300	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
59.01378	0.5
59.26383	0.2
61.91305	0.2
73.35606	0.3
97.29876	0.2
116.22469	0.2
132.84091	0.2
136.01660	0.5
141.62100	0.2
149.02452	1.9
157.83998	0.2
162.54350	0.2
187.03992	0.4
192.47134	0.2
199.04021	0.5
200.04608	0.2
212.04758	2.7
215.03537	1.0
227.03430	2.2
227.77742	0.2
230.05843	0.4
239.03467	3.7
240.04297	6.8
241.05052	0.3
243.02957	6.7
253.05052	2.6
254.02029	0.7
255.03006	0.3
256.03879	1.3
257.04562	8.6
257.15540	0.3
258.05414	2.1
267.03140	0.4
268.03799	9.8
269.04565	15.3
269.91190	0.2
271.02512	9.3
271.05530	0.4
282.67212	0.2
285.04062	35.9
286.04849	64.3
301.07190	100.0
301.20291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	Quinquangulone
Peak:m/z	Relative Intensity
59.01379	2.2
62.52788	0.7
67.01882	1.2
74.07812	0.8
83.01362	0.9
85.76555	0.8
88.67954	0.8
108.02136	7.9
111.00892	7.0
112.74607	0.8
113.80523	0.9
119.34814	0.8
123.00879	36.3
124.01645	19.4
132.59929	0.9
136.01646	14.6
139.00369	5.2
139.11313	1.1
150.03198	3.5
166.02902	1.1
178.12524	1.1
221.13461	1.1
227.03593	1.1
239.14368	1.7
240.04353	1.0
243.02942	10.6
257.04535	1.7
257.15533	4.1
258.05396	13.1
273.18668	2.0
286.04822	11.7
301.07187	100.0
301.14478	3.9
301.20486	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	301.0927
Annotation	Isotachioside
Peak:m/z	Relative Intensity
51.47950	0.4
51.93533	0.4
55.65619	0.4
55.87067	0.5
59.01375	4.2
71.01368	5.8
73.02934	3.0
74.99110	0.7
85.02927	3.1
92.66126	0.5
93.03430	0.9
95.01385	2.4
99.09861	0.5
101.02436	3.5
108.02139	0.7
108.05585	0.5
109.02885	0.8
113.02419	3.9
116.07155	0.9
120.99578	1.1
121.02937	2.7
121.06655	0.5
122.03736	0.7
123.00858	93.2
123.04519	0.7
124.01644	7.3
129.10339	1.0
131.73965	0.6
137.02441	5.2
138.03207	100.0
139.03990	20.8
139.05067	0.7
143.03494	0.8
149.02408	2.7
151.04028	2.3
159.02957	0.8
161.04544	11.5
163.04059	0.9
166.02695	2.9
173.09236	0.6
178.02702	1.3
181.05035	7.8
193.04994	4.2
193.71884	0.5
194.43968	0.5
207.82570	0.6
239.10472	0.6
241.08376	4.1
255.09833	0.9
301.05722	1.2
301.09225	13.6
304.60413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1079
Annotation	4,7-Dihydorxy-2,3,6-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.78035	3.5
53.88652	3.1
54.58534	3.1
59.01376	36.5
61.70927	3.7
65.93719	3.6
76.39973	5.0
91.50087	4.0
101.38161	4.3
127.02868	5.0
127.18856	4.4
137.02469	20.3
144.36722	4.5
149.02484	8.1
150.03181	10.7
165.05550	7.8
181.01456	6.9
197.06319	5.5
225.05577	24.0
237.95038	5.1
239.07275	5.3
240.04266	16.1
240.07991	9.9
241.04958	8.8
242.05833	23.1
245.04514	6.6
246.17036	4.8
253.05042	37.8
255.06566	100.0
256.07471	4.8
268.07416	21.3
270.08939	58.9
271.06137	18.4
271.10513	33.2
286.08325	8.2
301.03787	9.5
301.07147	45.9
301.11017	73.2
301.16599	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	301.181
Annotation	Epimestrol
Peak:m/z	Relative Intensity
53.74604	0.5
56.88169	0.5
59.01141	0.6
59.01384	10.6
62.84107	0.5
72.54434	0.6
79.98064	0.5
85.02922	1.0
87.04511	1.3
93.41680	0.5
99.04517	2.9
121.06584	1.5
127.07631	10.9
128.11798	0.6
133.06569	2.8
135.08142	11.4
138.06847	1.0
139.07637	5.1
146.23717	0.5
149.09703	5.4
151.07622	3.4
153.09261	0.9
161.09767	2.8
164.08405	11.9
165.09181	6.6
201.12871	21.6
229.15921	6.2
253.12241	0.9
255.17488	0.6
268.14691	1.0
269.15433	3.1
271.16983	2.4
283.17093	1.3
286.15732	3.8
301.18079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2024
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03454	0.7
59.01391	1.2
60.95823	0.6
78.95902	6.6
83.05036	0.9
83.78316	0.8
87.00981	0.9
109.06638	0.8
111.08154	22.9
111.08939	0.9
127.11312	1.1
128.75189	0.6
145.08690	4.6
173.08182	13.3
209.11790	3.5
211.20673	1.3
221.19115	40.1
234.71841	0.7
239.20207	8.4
257.21237	3.2
265.18137	30.6
283.15921	1.2
283.19144	28.2
301.07245	1.2
301.11841	3.3
301.16592	22.1
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	301.2172
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
60.19085	0.2
64.62119	0.2
67.60957	0.2
71.74821	0.2
110.12080	0.2
117.69927	0.2
164.93814	0.2
209.11694	0.4
301.21744	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	301.2386
Annotation	3-tetradecanoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.28529	0.8
59.93197	1.0
64.45358	1.1
72.99300	27.7
75.00870	21.0
80.40404	1.1
92.18414	1.2
162.42400	1.3
216.56073	1.2
217.07253	8.5
242.63797	1.1
255.23389	1.5
285.13492	4.6
301.16089	83.6
301.23843	100.0
324.90707	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	302.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15277	0.9
59.01380	70.5
60.01708	4.5
64.91682	1.0
66.25344	0.9
82.12250	1.2
105.83617	0.9
115.02497	3.6
116.02563	3.9
117.00397	8.0
118.00539	6.6
131.14383	0.9
136.21979	1.1
157.03587	1.2
158.03758	1.4
159.01486	74.8
160.01617	64.7
160.03215	1.2
160.03548	1.1
201.02570	16.8
202.02721	22.3
260.01706	5.8
302.02808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0661
Annotation	5,8-Dimethoxymaculine
Peak:m/z	Relative Intensity
54.20630	7.7
59.01360	10.6
69.50475	8.0
75.10590	9.5
81.21013	9.3
86.85096	10.4
96.96960	17.3
104.80341	9.2
122.02458	19.5
123.00855	53.1
124.01176	39.7
134.04758	42.3
138.03221	51.9
139.00291	11.0
139.03555	61.9
158.55040	9.0
166.96889	10.1
170.95845	10.3
180.06728	11.1
186.12437	12.3
220.08054	15.8
267.09814	23.1
274.14441	13.1
284.12619	14.3
302.06439	100.0
302.13437	42.8
307.15619	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	303.051
Annotation	Pentahydroxyflavanone
Peak:m/z	Relative Intensity
57.03449	4.9
59.01383	4.5
65.00336	1.9
72.25803	1.2
72.58098	1.0
83.01374	4.4
102.49753	1.0
103.93245	1.1
107.01382	1.3
108.02206	1.1
109.02957	4.5
114.94830	1.0
123.04479	2.1
125.02426	100.0
139.03998	1.3
149.02431	4.4
150.03244	2.4
151.00362	9.8
151.03984	11.2
152.01161	7.0
153.01953	9.7
161.02504	1.2
174.03238	4.1
175.03963	18.4
177.01891	17.3
178.99913	9.8
182.19971	1.0
188.04643	1.5
189.05634	2.2
193.05098	4.0
199.04013	9.4
201.02040	1.3
213.05595	1.2
216.04250	1.5
217.05066	10.9
219.02847	1.2
231.06734	1.6
241.04964	7.2
243.02849	1.5
259.06161	3.9
275.05457	6.3
285.04047	61.7
303.01575	2.0
303.05023	24.9
303.08792	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	303.051
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
59.01374	1.2
63.78962	0.5
68.07182	0.4
74.49800	0.5
86.25658	0.5
87.36301	0.5
88.75675	0.5
93.72390	0.5
107.01369	1.1
117.19787	0.5
124.01636	1.3
125.02406	3.9
133.02892	0.6
136.01659	1.0
147.84509	0.6
151.00360	11.6
151.03987	3.3
158.83690	0.5
165.01915	0.8
177.01949	4.2
188.04906	0.6
190.02716	0.7
192.00623	0.6
201.01967	1.2
216.04253	0.7
226.02664	0.7
226.50818	0.6
242.02290	0.8
243.02948	9.5
244.03802	0.8
245.00948	4.5
256.71664	0.5
270.01691	4.1
271.02505	5.1
285.04041	3.7
288.02652	0.7
303.05087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0874
Annotation	beta-Cotonefuran
Peak:m/z	Relative Intensity
59.01371	9.1
86.26665	1.5
98.30166	1.4
108.02193	6.7
109.02940	69.6
116.05035	12.0
121.02927	2.3
123.00852	20.3
124.01633	16.1
128.66866	1.4
136.01643	12.6
144.04526	11.1
146.06091	3.3
187.05127	7.7
215.03802	1.6
215.08217	7.3
221.04550	2.0
244.03716	1.6
258.05386	9.0
259.07117	7.8
271.02487	2.4
273.07697	100.0
299.75189	1.9
303.05478	10.1
303.08792	56.8
303.14398	6.2
303.17950	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	303.1198
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
55.01856	0.9
59.01369	1.6
61.64341	0.6
68.05048	1.1
71.01373	34.5
72.04552	1.3
72.99306	1.8
73.57211	0.8
81.77273	0.8
82.02977	0.9
82.26149	0.6
85.07703	12.2
93.94192	0.7
99.05617	6.7
100.04035	20.2
111.05619	4.8
112.04032	0.8
118.05084	19.2
129.06664	1.2
130.05070	1.3
131.10670	0.7
139.08727	3.5
140.07195	5.0
141.10339	1.1
157.09833	4.9
183.07753	16.8
184.06117	1.1
185.09296	1.1
187.10876	48.0
201.08817	21.4
213.08762	17.1
215.13983	1.3
219.09912	4.4
223.10869	1.8
241.11929	12.5
259.12958	8.2
280.45230	0.9
285.10919	100.0
303.02423	0.8
303.11963	52.2
308.22797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1602
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
57.03444	3.0
57.56445	0.7
59.01380	0.8
61.01991	0.7
63.81570	0.6
66.79278	0.6
66.85778	0.6
70.92476	0.5
78.73383	0.6
87.04462	0.8
102.10175	0.7
105.07108	0.9
120.18854	0.5
123.08134	14.7
136.96176	0.7
138.16624	0.6
158.08159	0.7
161.72951	0.7
164.78944	0.7
173.09700	5.5
173.23885	0.6
176.26704	0.7
182.89763	0.6
200.08472	0.8
213.12915	0.8
241.15871	6.5
243.13916	5.9
259.17020	100.0
303.16028	92.0
303.19373	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	303.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66823	0.4
55.85866	0.4
58.49932	0.4
66.56191	0.4
96.26639	0.4
101.50132	0.5
136.99097	0.5
139.28632	0.4
157.76237	0.4
161.06369	2.1
174.90718	0.4
189.86113	0.5
191.93201	0.4
217.07253	0.9
218.07338	9.1
219.06902	52.7
286.13977	0.6
287.13303	33.3
303.16470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1967
Annotation	1,2,4,5-Tetrahydrotestolactone
Peak:m/z	Relative Intensity
55.50131	0.9
59.40998	0.7
66.26075	0.8
76.75210	0.7
94.27472	0.7
121.69552	0.7
137.47615	0.8
210.03818	0.9
213.58022	0.8
243.17668	1.5
257.19101	0.9
259.20645	100.0
267.64017	0.8
273.89661	0.9
303.19666	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	304.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02436	0.8
58.02700	1.7
58.02974	30.8
65.24294	0.9
74.62328	0.9
128.45988	1.0
132.21170	1.0
152.40265	1.0
168.13921	100.0
245.86687	1.2
304.19199	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	305.1296
Annotation	N-Cinnamoyl Serotonin
Peak:m/z	Relative Intensity
55.92484	1.3
59.01375	2.3
65.00633	1.3
109.42578	1.7
119.05009	100.0
145.02960	30.3
159.09262	52.7
162.05566	13.2
206.69882	1.8
239.28227	1.5
261.14825	1.8
261.18588	2.6
287.16571	5.1
302.56769	1.6
305.12955	97.0
305.17496	32.0
305.20920	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	305.1395
Annotation	Tenulin
Peak:m/z	Relative Intensity
52.73898	0.7
55.01877	9.2
55.79647	0.7
56.47313	0.7
57.03452	1.6
72.63195	0.7
78.40957	0.7
81.03461	1.2
91.06483	0.8
105.56453	0.8
107.05019	1.1
109.06591	2.0
113.39514	0.8
121.06599	1.1
127.07707	0.8
133.06598	4.4
135.08163	20.4
147.08163	1.1
159.08221	1.8
161.09755	1.1
175.11293	6.3
201.91780	0.8
203.10757	3.4
214.41646	0.9
217.16060	7.6
220.74544	1.0
241.22900	0.8
261.14966	65.3
275.20215	1.5
277.21609	1.3
305.14001	100.0
305.17542	12.9
305.21280	5.7
314.43185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.17627	0.6
57.03450	2.8
59.01376	6.1
60.16761	0.6
65.03956	1.5
66.75359	0.5
67.94162	0.6
69.03433	0.8
71.05007	6.3
73.52483	0.7
76.40398	0.6
79.05528	8.3
81.42471	0.7
83.05016	0.8
86.37579	0.6
95.04998	1.5
97.06580	13.1
106.04227	3.6
107.05022	3.1
109.06602	1.4
120.05779	1.6
121.06566	5.9
123.08138	7.9
125.09709	14.6
125.62395	0.8
135.08156	91.5
137.09737	3.0
138.11407	0.7
151.11302	1.7
163.11334	1.6
185.11813	1.7
191.97246	0.7
205.15996	8.2
207.10262	1.5
209.11816	1.2
210.67432	0.8
231.14011	1.1
243.17509	1.2
249.14949	43.0
261.18652	3.5
263.16428	1.0
269.15494	1.1
275.48608	0.8
287.16464	7.0
305.17606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2488
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01149	0.6
59.01384	8.4
65.07748	0.5
66.00957	0.8
83.02502	0.7
84.18659	0.5
85.87069	0.5
104.30444	0.6
106.04095	3.1
127.34091	0.5
141.01675	1.3
179.73454	0.5
219.17888	0.6
232.27286	0.6
236.09464	0.9
278.11526	0.7
281.58923	0.7
300.55066	0.6
305.13055	1.2
305.24863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.4
62.00303	2.3
69.03485	3.1
71.01383	5.9
82.83171	2.9
85.02955	2.8
89.02449	22.2
93.47102	2.9
99.08111	5.2
101.02455	3.1
112.82095	2.6
113.02397	3.4
119.03481	5.3
127.07646	4.3
131.81799	3.1
139.23724	3.3
145.08720	41.5
163.04111	3.5
174.03238	50.3
189.05576	99.7
190.41530	3.4
204.04337	21.5
219.06636	100.0
263.05566	17.0
307.04477	13.1
307.08191	12.4
307.14023	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	307.1189
Annotation	5'-Hydroxyasperentin
Peak:m/z	Relative Intensity
84.29626	1.1
85.06593	5.3
88.38617	1.2
99.93502	1.3
112.74487	1.2
116.76617	1.3
117.03475	5.4
124.59589	1.3
131.07147	22.6
134.03735	100.0
148.05263	2.2
149.06070	11.5
158.60716	1.1
160.01640	34.1
161.02457	5.0
161.06056	2.4
162.03241	5.3
175.04001	96.6
179.03400	1.7
193.05067	77.0
204.11671	1.8
252.79160	1.2
275.09103	1.8
289.18106	2.2
307.11908	59.1
307.15311	4.2
307.18835	15.4
307.35727	1.4
324.64743	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	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.79606	0.3
59.01379	30.1
68.86378	0.4
70.30180	0.4
71.01376	12.1
71.01763	0.4
72.99287	0.5
73.02927	1.1
82.49979	0.4
83.01375	2.0
85.02942	2.2
87.00848	0.6
88.54132	0.4
89.02435	20.6
95.01408	0.7
99.08140	10.2
101.02431	12.7
113.02443	6.9
119.03487	8.4
127.07639	4.3
129.09219	2.5
129.88759	0.4
141.09222	1.9
143.03520	0.5
145.08699	60.4
174.03229	2.8
187.09746	1.9
189.05519	4.6
219.06612	5.5
263.05582	0.7
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	307.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11589	0.4
55.17630	0.4
59.01384	13.3
59.39796	0.4
92.84251	0.4
100.06351	0.4
207.17529	0.9
225.18611	100.0
307.18945	33.6
307.22266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.32314	0.3
54.12526	0.3
59.01379	2.5
65.55503	0.3
67.59305	0.3
71.05022	4.3
80.02681	0.6
81.03445	1.3
83.05016	0.9
95.05004	0.6
97.06587	0.4
98.03738	1.5
106.04206	0.8
109.06584	14.7
110.03721	0.5
111.04535	4.7
111.08150	0.8
123.08159	0.8
127.07647	5.4
135.11842	0.5
137.06065	0.4
137.09721	1.4
143.10799	0.8
145.06612	1.7
149.09718	1.4
157.40085	0.4
163.11360	0.4
167.10773	2.7
179.10869	0.8
181.12415	0.9
188.01483	0.4
195.13957	6.1
235.13429	2.3
245.19090	3.8
251.16589	0.6
273.14752	0.4
287.16632	1.8
289.18124	100.0
307.19135	11.7
326.46948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	(10E,12E)-9,14-Dioxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.39476	0.9
53.74923	0.9
53.79223	0.9
53.89525	1.0
57.03442	6.2
59.01373	7.5
60.07748	1.0
68.51571	1.0
71.05030	1.0
74.13674	0.9
84.29971	1.2
85.66266	1.0
88.14996	0.9
93.57748	1.0
97.06602	4.7
99.08157	30.8
109.06572	9.4
123.08157	1.9
125.09718	20.8
135.08170	1.3
137.09721	59.6
149.80240	1.1
163.11267	9.7
179.14449	8.8
183.10426	1.4
185.11853	13.9
207.10301	9.2
209.11905	1.6
223.13402	69.9
223.15588	2.3
223.72644	1.2
224.09262	1.3
247.11917	1.7
265.18091	17.2
265.32394	1.2
289.18073	4.6
307.19174	100.0
307.22299	3.5
318.18234	1.2
322.93823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2276
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
53.30387	0.5
102.43317	0.5
103.09872	0.6
116.49461	0.5
120.78011	0.5
127.32964	0.5
149.04137	0.5
225.44482	0.6
307.22760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2642
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01370	1.1
61.98825	0.7
63.47612	0.5
64.72200	0.6
106.04092	1.3
307.26434	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	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68390	0.9
59.01370	1.7
64.97343	1.0
74.15047	0.9
76.27985	0.9
80.96523	1.2
85.08917	1.0
99.00853	2.0
111.00885	1.9
119.07806	1.2
123.00869	2.4
123.04560	1.2
135.00896	1.6
188.04805	4.2
191.07159	1.6
202.02850	2.1
205.05089	5.8
206.05917	2.0
209.11926	2.0
217.05046	1.6
232.03749	62.6
247.06107	47.2
250.04822	19.2
265.07199	4.3
291.05069	4.6
291.19696	1.3
294.04037	1.2
309.06210	100.0
309.09998	7.6
309.20718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
59.01377	71.4
59.63992	0.5
71.01368	24.3
71.05006	1.2
72.99278	0.8
73.02937	6.2
83.01368	2.9
85.02940	6.0
87.00849	1.0
87.05619	0.7
89.02430	38.1
89.04509	0.5
95.01383	2.2
99.00836	0.7
101.02429	25.2
113.02432	12.4
119.03482	13.2
119.04975	4.0
128.03491	1.3
129.05565	1.1
143.03522	0.8
145.01393	1.1
146.08226	20.7
147.06612	1.0
149.04584	0.7
159.81999	0.5
161.04582	3.1
163.02721	0.5
163.03938	4.2
179.05605	1.4
193.08907	0.5
198.53419	0.5
207.53835	0.6
217.11996	2.8
249.09723	6.0
309.11847	100.0
330.21817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01876	0.6
58.00584	0.6
58.09452	0.5
59.01377	54.6
71.01370	24.8
72.99284	0.8
73.02933	5.2
73.04087	0.6
83.01364	2.4
83.14549	0.4
85.02957	4.1
85.06591	0.6
87.00875	0.8
89.02429	42.1
95.01379	1.2
99.00869	0.7
101.02426	26.7
108.34066	0.5
113.02430	14.4
119.03482	17.8
119.05035	3.0
129.05576	0.5
131.03510	0.6
133.02969	1.0
138.45151	0.5
145.01439	1.3
147.06639	0.7
161.04532	0.7
163.04005	2.9
165.01915	0.7
179.05656	1.1
180.83372	0.6
209.45999	0.6
266.24182	0.6
309.11929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35987	0.6
59.01379	100.0
69.19839	0.7
71.01384	3.1
80.96535	0.9
85.02952	1.0
85.10047	0.8
87.00877	1.0
92.33852	0.7
101.02422	1.9
103.16102	0.7
107.00828	0.8
117.01922	0.7
134.03751	9.1
149.06104	1.3
151.04005	0.9
178.02632	1.0
180.04323	1.4
193.05052	12.0
195.06642	3.2
209.11798	1.2
249.13425	7.1
285.74414	0.9
309.06354	1.6
309.09988	3.2
309.13208	2.3
318.08118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.171
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
50.49561	0.3
50.81363	0.3
59.01385	0.6
70.84876	0.3
71.17287	0.3
72.03184	0.3
77.91335	0.3
82.85873	0.3
84.95615	0.3
89.34920	0.3
115.83459	0.3
127.88557	0.4
150.65683	0.3
166.16521	0.3
235.13486	0.5
247.17032	4.3
265.18091	47.1
291.16016	1.9
299.91916	0.3
309.17099	100.0
333.30954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24817	0.3
59.01374	15.3
79.94360	0.4
86.02059	0.3
112.83118	0.3
117.47978	0.3
127.40764	0.3
128.26291	0.3
182.10881	0.3
227.20151	100.0
237.30389	0.3
309.17627	1.5
309.20459	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
59.01378	1.1
71.05013	8.9
73.02952	0.8
78.71548	0.5
80.08083	0.5
83.05006	0.6
95.05018	0.6
97.06555	3.3
108.48581	0.5
121.10199	4.3
123.08149	0.8
125.09711	3.6
135.69710	0.4
137.09714	10.4
139.11334	0.5
141.12833	0.9
171.10258	29.0
181.12482	0.5
183.13895	2.4
185.11812	5.3
207.13913	1.1
209.11877	0.6
223.13277	1.1
233.15450	1.1
235.17007	2.1
237.14799	1.1
247.20613	1.0
251.16580	9.6
267.32419	0.5
273.18814	1.8
284.15851	0.5
291.19669	29.5
297.82532	0.6
309.20706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01451	1.2
54.29074	1.2
57.03452	1.6
61.27119	1.3
78.46635	1.1
80.02714	1.2
83.01372	10.6
83.05033	4.6
92.19048	1.3
92.66325	1.2
95.05016	1.3
95.39209	1.2
96.95975	1.8
97.06587	2.0
113.09713	1.4
123.04535	2.3
123.08126	2.6
125.09718	13.9
131.74599	1.2
137.09706	2.1
139.11282	14.3
141.09216	2.2
149.33359	1.3
163.11299	6.8
165.12822	14.9
167.10786	7.2
176.45363	1.2
181.12344	5.3
183.13919	1.7
191.10860	2.9
193.16037	5.7
207.10434	1.8
209.11829	68.8
247.20647	15.6
265.21744	4.9
273.18314	2.6
291.19675	100.0
309.17554	4.7
309.20721	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	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.31415	0.9
57.03432	0.8
59.01377	1.9
59.71854	0.9
71.05013	19.9
93.07096	1.1
97.06599	6.8
115.29808	0.9
117.68089	0.8
119.08606	0.9
121.10227	8.6
121.11036	0.9
125.09719	8.3
134.50754	0.8
137.09727	24.9
137.10771	0.9
163.14841	0.9
171.10266	60.1
175.07497	0.9
181.12410	1.0
185.11829	11.8
197.11780	1.8
208.84590	0.9
210.61650	0.9
219.13904	1.3
233.15410	1.6
235.17104	5.3
237.14983	3.9
247.20677	1.1
251.16536	21.9
273.18564	0.9
291.19678	58.6
309.20746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03451	8.8
59.01371	1.1
62.46837	0.8
65.98769	0.8
71.04996	1.0
77.05804	0.8
83.05029	5.2
95.01746	0.9
97.02948	2.2
97.06599	1.1
99.08158	58.5
113.09712	3.6
119.08561	0.9
121.10217	5.4
121.15009	0.8
125.09727	7.5
137.09720	4.2
141.12881	1.8
163.11272	1.7
165.12730	1.7
171.10291	12.2
183.13943	1.3
185.11839	51.7
191.10687	1.1
195.10332	4.8
195.13948	4.3
195.98637	1.0
207.13979	5.7
209.11850	82.6
291.19708	28.0
309.20752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
57.03461	2.2
59.01394	1.7
64.36048	1.3
69.03460	1.5
71.05013	24.8
74.24728	1.5
81.07082	1.5
85.00065	1.4
95.04985	2.3
97.06579	7.1
99.08148	6.9
107.05038	1.9
107.08661	1.8
111.08150	3.3
119.08663	2.8
121.10219	8.6
125.09725	7.2
137.09727	31.4
171.10272	77.7
183.10199	2.0
185.11829	19.0
197.11789	16.9
207.13948	3.2
209.11858	9.0
209.15697	2.3
211.13434	2.9
219.14020	1.9
221.15508	3.2
225.15120	6.2
233.15353	2.3
237.15047	2.2
247.20667	2.6
251.16536	24.2
291.19702	100.0
309.20752	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	309.2436
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.86480	1.2
59.01374	5.4
64.40622	1.3
83.02533	2.2
96.69073	1.2
96.96020	2.6
102.38054	1.3
103.84784	1.3
112.99950	1.3
114.24928	1.2
120.28220	1.2
204.93510	1.6
248.35764	1.4
277.21729	98.7
291.19504	2.2
309.04022	2.2
309.17346	8.6
309.20816	5.9
309.24350	100.0
309.27710	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	309.2797
Annotation	Delta2-cis Eicosenoic Acid
Peak:m/z	Relative Intensity
101.93398	0.4
139.84442	0.4
142.39275	0.4
167.76375	0.4
175.89803	0.4
189.09763	0.4
201.00064	0.4
309.27972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0932
Annotation	Taxiphyllin
Peak:m/z	Relative Intensity
53.93523	1.5
59.01175	1.3
59.01383	22.7
65.72144	1.6
71.01366	14.6
75.51633	1.5
83.72250	1.7
85.02928	3.3
87.33243	1.4
89.02434	16.7
89.36803	1.5
92.18317	2.2
101.02425	11.1
101.03041	1.6
102.65748	1.9
107.51712	1.7
113.02444	7.0
116.05117	2.1
119.03496	7.6
120.04532	2.5
132.04529	3.1
144.04504	2.9
146.02463	24.4
147.03249	73.0
148.04028	13.0
153.25681	1.9
160.04036	40.5
172.04048	3.7
174.05600	6.8
179.02243	2.3
202.05072	11.8
214.05130	1.9
223.91869	1.8
292.08911	2.3
310.09332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.5
58.03770	1.5
59.01368	1.9
63.74047	1.1
66.06572	1.2
71.14081	1.2
83.04999	2.2
88.97958	1.1
90.67305	1.1
92.19026	1.4
92.90359	1.3
97.02955	1.3
99.08146	42.9
100.08472	23.5
105.61347	1.5
113.09728	1.6
119.11687	1.3
121.10203	2.7
122.10551	1.9
125.09692	2.2
126.10020	2.4
137.00121	1.3
148.77922	1.3
148.80684	1.5
164.11670	1.6
166.13116	1.2
171.10228	5.0
172.10558	5.9
185.11783	28.1
186.12148	36.7
195.10274	1.7
196.10654	2.0
207.13966	1.4
208.14249	6.2
209.11824	33.4
210.12154	64.4
221.11092	1.3
292.20032	34.6
310.21048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0562
Annotation	Maxima isoflavone G
Peak:m/z	Relative Intensity
51.18494	1.7
54.39072	2.0
58.22769	1.9
59.01381	45.1
59.82973	1.8
71.01357	3.8
73.02960	2.2
101.02425	2.6
105.03452	2.1
117.03459	8.1
121.90066	2.2
161.02440	3.3
163.04034	2.7
191.03642	2.2
251.11186	14.3
267.16174	3.3
268.03769	3.8
283.06137	82.0
293.14029	7.7
311.05624	100.0
311.11353	7.2
311.15024	20.6
311.18564	3.5
311.22211	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	311.0927
Annotation	Phaeochromycin C
Peak:m/z	Relative Intensity
59.01378	5.9
65.84292	0.4
66.01245	0.5
71.01367	0.6
82.63550	0.5
86.30878	0.5
87.04491	0.6
88.47550	0.5
92.50179	0.6
93.03477	1.1
121.02940	11.6
122.00964	0.6
131.04967	1.2
137.08560	0.6
143.05037	2.7
145.06566	20.0
157.12767	0.6
205.15863	0.6
236.08350	1.2
237.09196	100.0
249.18570	0.8
251.11325	0.7
253.05017	4.0
265.05060	2.7
267.10254	32.2
267.16492	1.2
267.19653	10.5
268.07385	0.9
280.07465	1.0
281.04538	7.7
281.09134	2.7
296.06879	3.5
311.05777	1.7
311.09177	15.4
311.15143	3.0
311.18625	27.8
311.22141	2.9
311.29587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
71.01369	8.7
73.02933	3.6
83.01356	0.6
84.88033	0.4
85.02943	4.5
89.02429	3.3
99.00871	0.9
101.02427	12.1
113.02428	4.9
119.03475	1.0
125.43979	0.4
136.14510	0.5
159.03000	0.7
159.15283	0.4
161.04533	8.4
193.48460	0.5
199.64400	0.5
211.67368	0.4
251.11334	45.5
311.13419	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	311.1867
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01382	0.6
62.87957	0.3
82.39237	0.3
83.05035	0.3
97.06573	2.1
99.08090	0.3
111.08135	1.8
113.09727	2.6
115.04480	0.3
126.03205	0.3
139.11234	0.4
153.12784	2.2
157.08687	7.4
167.14420	3.3
171.10246	1.6
177.12996	0.4
186.09549	0.3
193.15953	0.5
195.13950	0.4
207.17552	0.5
211.13400	3.0
223.20680	3.2
231.17494	0.5
249.18634	7.0
249.22249	0.6
267.19666	100.0
275.16571	8.5
293.17587	37.8
293.21167	10.6
311.18640	68.1
311.22302	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34606	0.7
59.01388	10.8
62.06006	0.9
68.14297	0.9
69.14996	0.9
71.01364	1.1
85.01170	1.3
88.44512	0.8
109.47928	0.9
117.28805	0.9
119.38089	0.8
127.84614	0.8
135.98314	0.9
161.35385	1.0
167.10776	1.8
185.13678	3.8
234.85574	1.1
251.11285	2.3
269.21078	4.0
277.21735	79.5
311.17017	7.6
311.20453	100.0
311.26117	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	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01387	14.0
64.17606	1.6
71.63058	1.2
96.59950	1.3
112.14336	1.3
122.85797	1.4
133.13626	1.2
139.11281	1.8
143.07108	9.5
143.10791	6.4
152.99582	1.8
167.57002	1.3
171.10245	3.0
201.11398	1.8
247.20914	1.6
251.11288	2.4
265.21732	2.0
293.21310	3.3
311.09183	1.8
311.13159	2.3
311.16919	14.4
311.22308	100.0
311.29611	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	311.2228
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
59.01377	18.4
63.97517	2.3
69.50960	2.7
72.99341	3.1
73.19977	2.7
75.85999	2.5
102.18954	3.0
114.09004	2.5
125.09698	10.5
126.78301	2.7
141.12810	3.8
149.09782	3.4
153.09247	3.4
155.10809	5.0
157.08595	3.4
157.12303	4.2
160.96448	3.1
169.96997	2.5
171.13892	6.8
175.88612	3.3
176.65686	3.5
183.01149	3.2
185.11797	16.0
197.11723	2.8
293.21225	100.0
311.16864	35.5
311.22281	32.3
312.14703	3.1
334.70441	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	311.2226
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.49366	0.2
57.03433	1.3
58.01614	0.2
58.32048	0.2
59.01365	1.7
59.56870	0.2
63.47438	0.2
71.01359	0.3
71.05022	0.4
97.06562	1.2
107.65724	0.3
110.70709	0.3
111.08136	1.6
111.98532	0.2
113.09708	2.3
113.63824	0.3
125.09695	1.7
135.11732	0.3
137.09706	0.5
139.11240	0.3
141.12854	3.6
141.24681	0.3
151.11180	0.5
153.12796	2.1
155.10715	0.4
157.08664	4.6
157.12296	0.5
167.10777	0.7
169.12360	1.2
171.10254	1.9
171.13885	1.4
185.11920	0.6
195.13899	0.4
201.23563	0.3
211.13367	2.3
237.95908	0.3
249.18643	0.5
249.22252	0.5
267.19626	0.5
274.83008	0.3
275.20071	0.5
293.21155	10.5
311.22266	100.0
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	13(S)-HpODE
Peak:m/z	Relative Intensity
56.68687	0.5
57.03451	4.9
59.01385	5.9
59.85701	0.4
68.50768	0.5
69.79181	0.6
82.85967	0.6
83.11217	0.5
97.06586	1.4
113.09708	16.4
123.08190	0.7
125.09712	4.9
139.11276	3.3
140.15128	0.7
142.40117	0.8
149.09674	2.7
167.10806	1.2
171.10239	0.8
177.12854	1.3
179.10840	1.2
185.11832	8.9
191.80020	0.7
193.90041	0.6
195.13866	2.5
197.11914	2.8
205.11943	0.7
209.42177	0.6
223.13391	3.4
225.92390	0.6
249.22264	3.2
251.11214	0.8
253.49715	0.6
267.23447	0.7
293.21237	100.0
311.16968	8.6
311.22348	10.9
311.25751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.65667	0.4
57.03439	0.6
59.01374	1.3
67.36292	0.5
84.77188	0.5
90.03783	0.5
92.18980	1.1
98.19382	0.5
100.78487	0.5
113.09695	4.0
121.10208	1.1
125.09676	1.0
139.11252	13.7
155.10751	0.8
163.11250	0.9
171.10234	22.4
183.13899	3.5
185.11804	1.2
193.12227	0.8
195.13890	1.1
201.11356	0.8
207.13974	0.8
211.13362	4.5
225.14867	6.3
247.43433	0.6
249.22176	1.3
275.20151	0.9
276.27106	0.5
293.21207	30.9
311.17172	4.3
311.22253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03432	0.8
59.01374	2.7
76.54218	0.6
97.43394	0.7
120.32696	0.8
143.10707	0.8
172.33824	0.7
212.20930	0.7
225.60811	0.7
249.22218	57.6
251.11484	0.7
293.17914	1.0
293.21252	28.6
311.17212	4.9
311.22296	100.0
311.29556	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	311.2227
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
52.40960	0.3
57.03445	0.4
59.01373	0.7
65.82640	0.3
70.14808	0.3
70.99298	0.3
93.55468	0.3
97.06585	0.4
104.08348	0.3
113.09714	3.6
125.09702	3.9
132.39169	0.3
139.11258	9.6
141.12816	0.7
149.09698	1.9
167.14452	1.5
171.10245	10.3
185.11798	8.6
195.13890	1.3
197.11801	1.7
211.13379	38.8
236.44272	0.3
249.22218	1.6
262.05618	0.4
275.20120	0.4
291.49338	0.4
293.21216	100.0
311.16754	0.5
311.22272	7.4
324.40228	0.3
330.16846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.2
60.10402	0.4
62.02488	0.5
76.04729	0.5
76.79030	0.5
77.55010	0.5
83.05032	0.7
99.08147	0.7
111.08210	0.6
113.09696	2.6
121.10208	2.1
125.09714	1.1
125.49301	0.6
127.11292	2.6
129.06035	0.5
139.11266	7.6
141.12941	0.6
146.08003	0.5
153.09219	0.6
155.10832	0.8
163.98935	0.5
165.12810	0.7
171.10252	29.7
181.12337	1.1
183.10313	2.3
183.13922	0.7
185.11827	6.0
193.12395	3.4
197.11778	0.7
199.13394	2.2
201.11353	3.4
211.13480	3.7
249.22424	0.9
293.21249	13.3
311.22284	100.0
313.96420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.38992	0.5
51.72066	0.5
52.44558	0.4
54.37788	0.5
54.93462	0.5
57.03445	1.0
59.01374	1.1
71.04997	0.5
73.83798	0.6
78.95882	0.5
83.04993	0.6
92.18410	0.8
99.08112	1.0
106.87284	0.6
113.09709	4.5
121.10168	0.9
129.09232	2.1
134.75902	0.5
139.11293	3.1
153.09155	0.6
155.10690	0.6
163.11234	0.8
165.12787	0.7
169.12300	2.5
171.10271	7.2
181.12383	2.8
183.01099	0.9
183.13914	2.7
185.11755	0.8
193.12343	2.6
197.11807	8.3
199.13408	3.0
211.13371	13.3
265.21637	0.8
275.20224	0.8
288.71609	0.6
289.94516	0.6
293.21191	14.6
311.17017	10.2
311.22260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.89876	0.4
57.03416	0.5
59.01381	0.7
63.65819	0.4
77.91800	0.4
89.12527	0.4
98.95564	0.8
99.08112	1.0
113.09709	2.6
121.10199	0.4
125.09740	0.8
127.07626	0.5
127.11288	1.7
129.09201	3.3
139.11270	4.1
151.11281	0.7
155.10757	0.9
163.11256	0.5
169.12283	1.8
171.10242	17.8
181.12360	2.6
183.01195	2.3
183.10291	2.1
183.13846	1.5
185.11815	3.0
193.12350	0.5
197.11815	5.7
199.13387	2.1
201.11285	3.4
211.13387	10.8
267.17950	0.4
275.20251	1.0
293.21207	9.3
311.16953	23.3
311.22260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.15854	1.4
57.86696	1.4
59.01379	11.5
63.98976	1.4
65.06459	1.6
73.96041	1.5
78.60749	1.9
87.94554	1.6
89.29217	2.1
99.08134	3.0
108.92239	1.8
113.09735	2.6
117.37453	1.9
139.11299	10.9
143.07144	9.1
155.10785	9.4
166.45355	1.7
171.10257	12.4
211.13399	17.9
249.22331	2.1
249.51210	2.4
251.11258	2.8
275.20047	2.6
293.21259	42.7
311.16904	6.2
311.22287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2594
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
50.00464	1.1
50.36762	1.2
51.11488	1.3
54.10298	1.2
59.01387	6.5
71.01389	7.8
99.94569	1.4
118.82227	1.5
164.94571	1.5
173.05762	1.4
236.51476	1.6
239.23856	8.0
253.21852	1.7
265.25354	2.5
267.26978	6.0
282.01706	1.6
293.21365	1.9
311.17093	8.6
311.22720	5.1
311.26001	100.0
311.29422	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	311.2593
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
53.70084	0.9
59.01381	2.8
71.05016	21.6
71.24058	1.0
92.82909	1.0
97.38506	1.1
208.82162	1.3
265.25433	7.5
267.26926	46.1
271.86276	1.7
293.21310	4.6
311.16934	11.4
311.22403	9.0
311.25952	100.0
311.29556	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	311.2959
Annotation	Arachidic Acid
Peak:m/z	Relative Intensity
50.32467	0.5
59.01371	0.9
61.79539	0.5
75.49574	0.5
92.18369	0.6
137.56639	0.5
139.64684	0.6
183.16161	0.6
184.79622	0.6
202.23936	0.5
311.17029	3.9
311.22360	2.2
311.29587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05600	0.4
57.03438	0.5
58.00600	0.4
59.01368	0.7
68.10173	0.4
99.08131	0.8
113.09753	1.7
114.10046	0.7
126.09990	0.5
127.11324	0.4
129.09219	1.9
139.11285	2.7
140.11621	1.6
154.13052	0.5
166.13249	0.6
169.12349	0.8
170.12637	0.8
171.10300	6.2
172.10652	7.6
181.12445	0.6
182.12662	1.8
184.14191	0.7
185.11848	0.9
186.12149	0.9
194.12735	2.3
197.11879	0.9
198.12218	3.5
200.13748	1.9
205.34137	0.4
211.13403	3.3
212.13774	7.3
212.21069	0.4
250.22510	0.6
276.20474	0.7
294.21591	13.0
312.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2545
Annotation	N-Palmitoyl Glycine
Peak:m/z	Relative Intensity
54.66566	0.5
61.98832	0.6
83.02456	0.7
92.18358	0.7
106.04117	0.7
125.09743	0.8
170.11877	3.5
171.10208	1.4
195.13898	1.6
268.26468	1.5
270.24304	2.4
279.23291	3.3
295.22806	6.3
311.96768	0.7
312.25458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0356
Annotation	ophioglonin
Peak:m/z	Relative Intensity
51.62782	1.3
54.25377	1.2
59.01379	2.8
62.43370	1.2
91.62947	1.3
116.36378	1.4
122.23142	1.8
145.91473	1.3
160.01674	3.4
198.03227	10.9
202.02823	11.6
214.02725	9.2
226.02707	24.1
242.02193	23.2
270.01697	50.3
274.01343	2.3
285.04074	45.6
313.03537	100.0
313.07181	3.9
313.20294	3.4
313.23648	2.5
324.45627	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	313.0353
Annotation	ophioglonin
Peak:m/z	Relative Intensity
59.01379	6.8
64.77267	1.1
88.11111	1.2
93.61324	1.3
95.79452	1.2
96.53949	1.3
97.54201	1.2
101.06038	1.4
104.72250	1.3
107.74657	1.2
109.06567	2.9
122.14473	1.3
143.24864	1.3
160.01646	5.7
163.03986	8.8
167.03334	1.8
198.03221	10.4
200.01125	1.5
202.02745	14.4
209.08200	1.2
214.02725	6.4
226.02736	28.8
233.15486	1.3
242.02164	23.4
256.85995	1.4
270.01703	62.1
274.01151	1.7
285.04037	46.1
295.15567	2.2
298.04828	25.4
313.03525	100.0
313.07178	26.7
313.16711	5.4
313.20288	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	313.0359
Annotation	ophioglonin
Peak:m/z	Relative Intensity
59.01379	8.5
93.80834	1.5
100.65658	1.8
160.01723	3.2
162.80479	1.8
198.03220	12.2
202.02707	13.3
214.02808	8.5
220.48691	1.8
226.02736	28.3
242.02214	16.4
270.01730	60.3
283.02652	2.1
283.06082	2.9
285.04108	53.1
298.04703	2.4
313.03619	100.0
313.07144	9.6
313.11423	9.4
313.16425	3.7
313.19861	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	313.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48980	1.0
59.01381	5.3
68.64647	1.1
71.01375	23.4
84.87939	1.2
102.51589	1.3
107.05022	7.7
115.00362	10.4
120.99644	2.4
121.02949	31.2
127.05154	1.2
138.03250	5.2
153.05556	50.3
164.63655	1.4
180.04295	5.3
182.02188	6.9
186.97032	1.2
195.06619	16.2
197.04573	100.0
210.05431	2.7
225.07671	18.2
270.24091	1.3
313.05698	1.7
313.09537	5.6
313.13123	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	313.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	28.5
75.00864	1.4
87.00858	79.0
119.05013	3.5
121.02917	3.3
137.02458	2.4
149.06064	1.9
151.03987	2.4
154.02704	1.9
165.01909	3.2
165.05603	12.1
166.02731	1.7
166.06326	15.5
181.05038	6.7
181.08722	2.4
182.18257	1.6
206.53755	2.0
225.07668	100.0
297.35187	1.7
313.09250	41.2
313.12918	13.1
313.16641	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	313.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68956	0.3
59.01381	0.5
79.55197	0.3
97.44443	0.4
125.09776	0.5
127.11289	0.5
155.10735	0.7
161.55780	0.4
167.10741	0.5
170.63338	0.4
171.10236	0.5
183.10211	0.7
221.38820	0.4
251.19949	0.5
253.05144	1.8
278.03113	0.4
283.13452	0.4
295.19708	0.5
295.22803	1.7
311.22495	0.5
313.18124	100.0
313.23642	26.1
319.49725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04654	0.7
56.26173	0.8
56.76078	0.8
59.01368	1.4
75.65247	0.9
77.00581	0.8
77.32069	1.2
79.90721	0.9
83.55739	0.9
92.19001	0.9
102.70638	1.0
106.10308	0.9
109.32653	0.8
125.09673	3.2
127.11254	5.2
139.11276	1.3
155.10751	5.6
157.12315	0.9
165.09169	2.0
171.10220	7.0
172.14320	0.9
198.37306	1.0
199.09695	1.8
201.11319	50.8
209.83368	1.0
214.82094	1.1
225.22598	1.1
277.21744	5.8
295.22699	5.3
313.16650	10.9
313.23828	100.0
313.43030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.98057	0.2
79.78908	0.2
95.13966	0.3
106.93204	0.3
120.78783	0.2
125.09695	0.3
127.11266	0.6
139.11281	0.4
141.12816	0.4
142.87312	0.3
153.09219	0.3
155.10745	2.9
157.12376	0.3
171.10275	6.3
229.30263	0.3
239.23772	0.4
249.22256	0.5
267.23370	0.5
277.21701	0.5
293.21643	0.3
295.22797	8.8
311.22198	1.9
313.23865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.67832	0.3
51.37768	0.3
52.75642	0.3
55.87692	0.4
55.92069	0.4
59.01374	0.6
64.42491	0.4
66.93320	0.4
111.08074	0.5
122.14172	0.4
131.06242	0.5
143.10828	0.5
157.08702	2.5
169.12309	6.7
277.21695	1.8
295.22769	18.6
311.22122	0.7
313.23828	100.0
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
50.39716	0.1
55.91014	0.2
59.01381	0.3
74.63244	0.2
74.94714	0.2
75.29527	0.2
76.88144	0.2
97.78009	0.2
125.09693	0.4
127.11278	0.7
139.11340	0.2
141.12878	0.2
153.09204	0.3
155.09512	0.3
155.10780	8.8
157.12331	0.4
169.12364	0.3
171.10274	6.0
174.26062	0.2
249.22182	0.3
251.20187	0.3
267.23428	0.2
268.19244	0.2
269.12933	0.2
277.21643	0.7
295.22794	16.2
303.97861	0.2
311.22369	1.2
313.23862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23682	0.3
58.00604	1.6
66.60307	0.4
68.50252	0.4
70.96061	0.4
74.23643	0.3
74.74102	0.4
85.34124	0.4
94.06221	0.4
99.08154	12.8
101.34001	0.4
127.07646	3.0
129.09216	25.5
137.04454	0.5
138.31194	0.4
183.13907	46.9
195.13913	3.3
223.00317	0.4
277.21777	3.9
287.83817	0.4
295.22833	8.9
311.22256	0.6
313.23871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.10310	4.5
57.03440	4.8
59.01373	5.3
59.63611	3.7
72.17160	5.1
73.36515	4.5
75.00883	5.1
77.25507	4.4
93.92010	4.8
97.75467	4.5
183.10231	7.3
194.11200	5.3
206.43329	4.6
251.23779	4.9
259.42282	4.8
267.26862	26.5
295.22757	100.0
313.23782	61.3
313.27502	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	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.57976	2.2
71.86400	2.2
75.00875	10.7
89.91856	2.4
92.73628	2.4
153.07016	2.5
164.54387	2.7
171.10263	13.0
184.20610	2.8
252.03613	2.8
267.26859	5.4
290.87671	2.9
295.22775	49.6
313.16763	4.6
313.23407	100.0
324.58713	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	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.51565	1.0
59.64466	1.0
62.73337	1.0
99.05988	1.3
102.37866	1.3
113.11558	1.6
119.78958	1.4
124.91287	1.4
125.09714	2.8
142.59814	1.3
153.13022	1.2
210.92580	1.4
236.78210	1.5
267.26984	8.5
295.22818	100.0
306.96179	1.4
313.23788	8.6
313.27499	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	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12904	0.4
72.99292	0.6
75.00864	100.0
91.02200	0.5
111.76179	0.4
228.48671	0.5
255.23288	45.4
267.26901	1.7
313.23883	19.2
313.27307	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	313.2754
Annotation	19-hydroxy-nonadecanoic acid
Peak:m/z	Relative Intensity
59.01369	0.6
60.99298	0.7
65.01444	0.8
69.00893	0.6
82.03002	0.6
82.04111	0.5
83.02512	1.1
98.02452	0.6
106.04118	2.5
133.04062	0.9
171.06712	0.6
181.35918	0.6
183.13943	0.8
201.11343	0.8
233.72464	0.7
265.25360	4.6
283.26437	100.0
313.23975	5.7
313.27493	71.8
313.30356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.275
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
51.25090	0.2
57.03448	4.7
59.01361	0.3
64.10831	0.3
69.03426	1.2
73.18838	0.3
91.02184	0.4
198.67293	0.3
251.23708	1.2
265.25232	0.3
267.26929	70.7
295.26392	3.7
313.27493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19316	0.5
59.01376	8.9
59.99854	0.6
62.50750	0.5
66.88486	0.6
67.56648	0.5
72.99294	11.2
74.67751	0.5
74.99373	2.9
83.77814	0.6
85.67361	0.6
106.65286	0.6
117.00427	27.9
117.01228	1.3
121.21645	0.7
127.39615	0.7
128.95177	0.7
132.98370	0.8
141.00426	5.3
144.99901	3.9
156.99883	1.0
159.01483	19.7
171.01540	0.9
172.99405	11.4
174.99466	22.3
187.00977	1.0
190.95218	0.6
192.04272	0.6
198.99484	20.8
202.98941	1.2
215.02573	2.6
217.00523	80.6
232.97469	0.8
241.00554	20.8
245.00075	4.2
248.94138	0.8
259.01584	100.0
314.95172	1.1
315.00589	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	315.0512
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.99488	0.4
59.01361	2.1
62.07727	0.4
64.16032	0.4
65.64757	0.5
72.45217	0.4
80.07236	0.4
93.03439	0.8
109.02937	5.6
109.06553	0.7
121.02940	0.6
145.53900	0.5
149.02400	0.6
151.00383	0.9
152.01155	0.6
167.03398	0.5
177.01859	0.6
254.13239	0.6
255.23360	1.9
272.03265	6.2
287.16528	5.2
300.02756	100.0
315.05112	54.3
315.08551	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.39487	0.4
59.01375	4.0
61.98812	2.2
65.67722	0.4
71.01371	2.9
73.02942	0.7
80.56643	0.5
83.01379	0.5
85.02923	2.1
93.03448	0.8
95.01345	0.5
101.02457	1.0
107.05031	0.5
108.02154	63.6
109.02930	30.4
113.02416	1.1
121.02935	1.0
123.00850	0.8
123.04472	0.9
126.21973	0.5
133.02928	0.6
135.04460	0.6
137.02458	0.7
151.04005	2.4
152.01132	81.2
153.01915	31.0
163.04002	1.0
165.01947	1.2
174.89389	0.5
181.53201	0.5
183.04231	0.5
211.01038	0.5
217.00233	0.8
232.97620	0.6
255.23265	3.0
268.86816	0.5
272.93604	0.6
315.07208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0881
Annotation	Cajanol
Peak:m/z	Relative Intensity
51.03208	1.5
51.41032	1.4
56.57650	1.4
59.01378	2.2
59.56269	1.6
60.09089	1.3
97.08495	1.9
103.00505	1.7
108.02175	26.6
123.04518	26.7
136.01688	6.9
137.02425	4.0
149.02460	2.7
150.03221	24.3
164.04755	3.9
176.01183	19.5
177.01952	24.7
182.02202	7.8
191.03516	48.6
196.03796	2.6
256.07541	1.9
257.04630	6.7
271.06143	3.3
271.09747	7.3
282.05209	2.0
283.06128	8.0
285.04141	8.4
299.05569	15.0
300.06345	30.7
315.05396	4.6
315.08795	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	315.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
65.82960	0.7
74.15943	0.7
108.02186	3.3
108.04544	12.4
123.04519	3.8
131.28813	0.7
133.08415	0.8
136.07666	18.5
136.08684	0.7
150.03235	6.9
162.05618	10.2
176.01161	4.1
177.01889	6.6
182.02083	2.3
191.03502	9.5
242.07027	1.8
243.11304	1.5
253.09753	5.5
255.23396	1.2
256.08624	3.4
257.04816	0.9
270.10083	1.5
271.10892	100.0
300.06625	1.4
315.09412	23.9
315.14011	1.3
315.14682	1.2
315.18198	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	315.1086
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01381	100.0
71.01369	12.8
73.02953	1.4
80.35854	1.3
85.02932	2.6
88.76953	1.3
93.03438	15.8
96.04536	1.9
99.00854	1.7
101.02443	6.6
108.13585	1.3
111.19755	1.4
111.61203	1.2
113.02425	5.4
120.99651	9.7
121.18943	1.2
121.85912	1.1
130.08769	2.7
133.83406	1.3
161.04532	20.3
167.91919	1.3
172.45877	1.5
199.09756	2.3
202.62282	1.2
208.11620	1.7
244.07474	1.2
255.08760	2.9
257.71924	1.3
315.11682	4.8
315.14886	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	315.1604
Annotation	Zaluzanin C isobutyrate
Peak:m/z	Relative Intensity
51.68904	0.4
58.33640	0.4
59.01383	2.2
59.65717	0.4
71.05035	1.2
72.72267	0.4
80.57156	0.4
87.04506	27.8
88.22972	0.5
92.18359	0.5
95.29794	0.4
96.11292	0.4
106.39700	0.5
141.12856	0.7
155.10904	0.5
155.14401	0.6
199.11298	22.4
214.64078	0.5
220.07460	0.5
227.10785	91.0
232.97652	0.5
243.17563	4.3
253.15974	6.7
269.24780	2.5
271.17087	3.3
287.16556	7.3
297.24234	3.1
313.23801	0.9
315.12405	1.0
315.16046	27.4
315.19489	4.3
315.25409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1604
Annotation	CHEBI:70691
Peak:m/z	Relative Intensity
55.85523	1.4
59.01379	5.1
60.50136	1.0
89.16648	1.2
92.18451	2.6
121.06580	3.1
133.06557	13.6
135.08118	5.2
137.09721	13.5
170.12738	1.8
182.63171	1.5
194.55423	1.3
197.79715	1.4
215.10736	1.4
221.79173	1.5
256.14700	18.0
271.17044	89.0
284.16254	1.7
285.00439	3.2
297.23523	11.6
300.02823	14.1
315.05151	9.3
315.16019	100.0
315.19693	33.2
315.24429	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	315.1605
Annotation	Gibberellin A9
Peak:m/z	Relative Intensity
51.48518	1.8
59.01385	63.2
67.37743	1.8
75.00874	2.4
109.06581	2.3
129.90781	2.4
211.14847	15.2
253.16011	4.0
255.14011	18.7
255.23387	12.8
256.14774	4.3
268.66791	2.3
271.14157	3.0
271.17072	83.8
297.18597	3.7
315.16174	100.0
315.19730	21.8
315.24820	26.5
323.85031	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1605
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
51.45714	0.2
51.51418	0.2
54.56805	0.2
57.03445	2.0
59.01380	0.6
69.03438	0.5
90.55307	0.3
93.03458	4.5
106.04236	5.9
107.05035	0.5
108.02200	0.4
108.89785	0.3
118.88184	0.3
119.05036	0.6
121.06577	5.0
131.05029	0.5
134.87502	0.3
145.06558	0.5
147.04517	3.6
147.08159	16.6
149.06078	31.9
162.03246	0.5
163.04010	0.5
163.07643	6.0
165.09193	0.7
173.09758	0.4
255.23337	2.3
285.04056	1.5
297.14911	1.4
315.08798	4.1
315.16043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1817
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
50.62218	1.2
52.14821	1.2
57.03458	1.2
59.01374	3.0
73.42690	1.3
83.05037	2.9
111.08152	83.5
125.09722	28.3
129.83292	1.2
131.66423	1.4
141.09221	1.5
143.59448	1.3
145.08734	2.6
159.10287	22.8
166.77466	1.3
173.08214	23.2
187.09674	13.7
223.02879	3.1
232.97688	1.5
253.18083	5.7
255.23265	2.3
284.02094	1.6
297.17148	5.8
315.18225	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	315.1966
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
52.06837	0.7
56.35669	0.6
59.01372	0.8
59.27290	0.6
71.73837	0.6
79.69155	0.7
100.53128	0.8
135.68948	0.8
269.19199	1.1
271.20667	8.1
315.19662	100.0
315.24933	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1967
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
54.81246	0.4
57.24031	0.4
85.06586	1.9
88.19798	0.5
122.51469	0.5
123.74445	0.5
133.06546	0.6
135.08189	0.5
184.64732	0.5
201.12965	0.7
240.15178	12.6
242.13127	1.0
243.17503	4.6
253.15941	1.1
255.17549	20.1
255.71286	0.5
259.11224	0.5
268.14667	0.7
269.15479	2.6
271.17545	0.7
271.20657	12.9
303.19534	1.0
315.19687	100.0
315.25012	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34843	0.3
60.08688	0.4
71.98606	0.4
74.59383	0.4
75.66572	0.3
84.54384	0.3
85.06573	1.7
87.91115	0.3
97.06558	0.4
100.84031	0.4
105.27721	0.4
193.81863	0.4
229.70872	0.4
238.13597	0.4
240.15211	7.7
240.17461	0.6
253.15990	0.8
255.17531	14.7
269.15472	0.8
269.19260	0.5
271.20709	10.2
315.19672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30003	0.2
57.01436	0.2
71.39064	0.3
72.99306	0.3
85.00150	0.2
92.19064	0.5
105.21479	0.3
133.48628	0.2
196.82991	0.3
269.18958	0.5
270.66638	0.3
271.20654	41.4
315.19653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2538
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
58.00591	0.2
61.70995	0.2
62.15498	0.2
69.57955	0.2
69.65919	0.2
71.08598	0.2
72.29913	0.2
73.70281	0.2
89.96253	0.2
101.45830	0.2
118.46773	0.2
127.11300	2.4
141.12836	3.0
143.10803	1.0
150.53574	0.2
155.10785	1.1
157.12306	0.5
169.12430	0.2
171.10271	1.6
171.13858	1.7
201.11349	1.8
269.25006	0.3
279.23257	2.0
295.22797	0.3
297.24332	12.9
311.22406	0.3
313.23843	6.4
315.25388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2539
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
52.30674	0.5
54.94513	0.6
57.90244	0.6
59.01369	1.0
71.05023	0.6
78.67143	0.7
83.30628	0.7
87.04501	18.8
100.43423	0.6
101.93286	0.8
106.80522	0.6
199.11284	16.9
219.04445	0.8
222.24452	0.7
227.10771	58.7
243.17493	3.2
253.15993	2.8
267.23425	0.8
271.17181	1.4
287.16528	4.3
297.24323	3.1
313.24054	1.0
315.15973	17.9
315.19379	6.9
315.25366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.1
61.46125	0.6
71.01377	2.9
75.00840	0.6
78.95903	24.4
88.03514	1.3
88.04034	28.4
96.96041	12.4
96.96951	100.0
110.02489	0.8
114.93417	1.2
128.03575	0.9
130.47983	0.7
136.04050	3.4
146.08209	14.1
152.99550	0.9
154.05154	1.0
168.04308	3.5
187.10930	1.0
202.38715	0.8
218.10324	48.6
241.98552	0.8
242.08014	10.9
282.00192	0.7
316.03802	1.1
316.08014	3.6
316.11261	0.9
316.15131	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	316.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91057	0.3
59.01375	43.2
75.96825	0.3
78.95884	22.7
82.45995	0.4
90.64680	0.4
96.96943	0.4
97.07218	0.4
97.58053	0.3
102.05574	0.6
104.03516	0.8
135.02983	0.4
146.04607	2.6
146.05623	0.4
152.99562	11.6
168.04285	31.8
171.00621	2.9
205.42276	0.4
211.08092	0.5
242.07964	100.0
316.11484	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	317.0666
Annotation	cylindol A
Peak:m/z	Relative Intensity
50.13993	1.0
51.30761	0.9
59.01376	2.6
72.43771	1.0
83.54250	1.0
103.07226	1.2
108.02176	2.2
113.20318	1.2
123.00864	1.1
123.04520	1.2
135.00850	1.8
147.08049	1.3
149.02449	5.0
151.00371	14.1
151.04047	1.7
152.01147	24.8
153.01883	1.2
166.02707	9.6
167.02074	1.7
167.03488	50.2
167.04854	2.5
170.03731	1.4
198.03310	9.6
199.04013	1.3
207.98318	1.2
208.73848	1.1
211.04018	1.5
215.03455	2.0
219.25526	1.2
226.02696	10.5
234.67188	1.2
241.05017	2.3
242.68155	1.1
255.02895	1.6
258.05350	18.8
259.06128	13.4
271.02237	4.2
273.07693	4.1
285.04099	1.7
287.16580	4.3
299.18909	1.5
302.04303	34.9
317.06644	100.0
317.10031	4.8
317.14056	4.3
317.17346	10.4
317.20016	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	317.0667
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
54.12777	0.4
56.22608	0.4
57.03440	5.0
59.01382	0.6
63.58812	0.4
65.00327	4.7
65.67896	0.4
73.14375	0.4
76.00106	0.4
81.03457	0.7
83.01376	6.1
95.01376	5.1
99.00871	4.7
107.01363	2.3
108.02119	0.6
111.00919	1.5
122.03775	0.5
123.00845	3.4
124.01649	5.0
125.02432	100.0
125.09721	0.8
125.61106	0.4
130.07056	0.4
136.01624	0.7
139.00418	1.0
148.68425	0.5
149.02390	0.6
150.03279	0.8
151.00362	14.6
152.01144	37.1
153.01935	2.7
163.04008	1.1
165.05585	0.6
169.01425	0.8
172.05434	0.8
178.99850	8.6
180.00641	3.5
181.12405	1.0
187.04185	0.5
188.04779	0.9
192.04268	4.8
199.13364	3.0
207.06613	11.2
207.10280	2.7
213.05583	0.8
214.06332	2.3
215.03488	0.7
216.04260	2.2
225.11340	9.6
229.08624	1.0
230.05791	6.2
231.06644	7.0
233.04546	0.9
240.04315	0.4
243.06491	0.5
243.12337	6.0
245.08195	2.6
249.07776	2.0
256.03793	0.7
258.05283	5.4
271.17029	1.8
273.07736	7.9
274.04828	6.0
284.03262	2.2
289.07190	56.7
289.18088	7.5
299.05655	2.3
317.06662	95.5
317.16049	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	317.1032
Annotation	Evofolin B
Peak:m/z	Relative Intensity
50.58767	0.4
59.01390	0.5
59.62887	0.5
64.08904	0.5
67.01870	0.8
71.52334	0.5
95.01385	0.9
104.13466	0.6
108.02169	43.1
109.02915	4.7
111.00896	4.3
121.02931	1.1
122.03717	0.6
123.00880	55.0
123.04514	40.8
124.01656	30.7
126.06698	0.5
136.01657	27.1
147.00890	3.3
148.01707	5.5
149.02403	2.1
150.03186	4.8
153.05559	3.5
162.03217	7.9
163.04024	11.7
257.04605	7.7
272.06934	33.1
273.07745	0.6
287.09268	100.0
317.10318	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	317.1603
Annotation	Tomelukast
Peak:m/z	Relative Intensity
51.32299	1.7
56.28964	1.6
59.01376	10.1
71.04997	2.4
77.07172	2.3
92.94430	1.9
93.03429	3.8
97.06573	2.2
99.00845	16.3
119.05016	12.7
119.65424	2.0
125.09679	4.4
163.03984	12.0
163.11272	10.0
166.74582	2.0
172.86304	1.9
181.12340	27.9
199.13391	34.3
207.10278	37.8
225.11319	70.3
243.06731	2.3
243.12350	45.9
317.06543	8.3
317.10159	10.3
317.16013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.8
59.01381	11.9
71.01380	0.8
73.02936	2.2
81.07107	0.4
87.04491	0.9
93.07086	1.1
95.05003	2.1
96.73380	0.5
97.06567	0.7
110.32355	0.4
133.06651	0.7
137.06082	1.9
159.08150	0.5
163.11348	0.6
178.73274	0.4
181.14462	0.5
187.11276	0.7
201.12833	4.5
203.14420	6.4
209.60400	0.5
215.14395	12.0
231.17532	8.8
239.14412	2.9
241.12341	0.7
243.13918	2.3
245.19135	0.7
255.17534	12.3
257.15451	12.4
273.18597	16.7
275.16516	23.8
299.16766	0.6
299.58221	0.5
317.17538	100.0
317.21204	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	317.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20870	0.5
57.77715	0.5
59.01386	1.2
69.25733	0.5
78.14503	0.6
97.06582	1.3
114.05173	0.6
123.08099	0.7
125.09705	3.1
137.09685	2.1
173.09741	0.9
175.11290	0.9
203.10779	1.3
255.17580	2.3
257.15390	4.4
271.17056	1.3
273.18607	100.0
317.17578	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1756
Annotation	CHEBI:70568
Peak:m/z	Relative Intensity
57.03448	6.7
69.03442	0.6
71.05020	8.1
85.26614	0.4
87.04521	1.0
97.02963	0.4
133.06581	4.9
133.07460	0.4
137.09706	0.6
146.07393	0.9
147.08173	0.9
161.09727	2.3
161.10948	0.5
163.11353	1.0
175.11371	0.6
186.10541	1.9
187.11224	0.7
189.09201	7.0
191.10789	0.4
201.12895	5.4
201.14536	0.6
203.14410	0.7
204.11581	2.4
205.12376	0.8
215.14381	28.4
243.14063	0.4
245.19092	8.6
255.17523	11.2
258.16287	0.7
273.18600	28.4
289.18094	1.0
299.16446	0.5
317.17606	100.0
317.21130	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	317.1757
Annotation	9beta-Isobutyryloxy costunolide
Peak:m/z	Relative Intensity
59.01382	37.0
65.40265	1.0
71.18456	1.0
76.68025	1.2
80.59602	1.2
86.00834	1.0
88.85805	1.4
93.69425	1.3
97.50201	1.2
113.41870	1.2
173.13374	2.3
202.58519	1.2
221.52461	1.4
229.19582	8.2
257.15674	1.4
273.18613	36.1
317.17566	100.0
317.20605	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	317.1758
Annotation	6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
59.01384	72.2
60.48763	0.6
61.34162	0.7
66.53259	0.7
75.66614	0.7
79.61100	0.6
87.35140	0.7
99.26026	0.7
100.48561	0.8
161.13361	1.0
208.94411	0.8
229.19626	1.6
240.41048	0.9
255.17532	3.5
273.18625	59.4
303.47253	1.0
317.17548	100.0
317.21103	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	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70314	0.7
53.55423	0.6
54.09452	0.6
61.06447	0.6
63.12054	0.8
64.43390	0.6
71.05010	7.6
107.55209	0.8
109.38885	0.9
113.06100	0.8
133.59871	0.8
137.09750	3.5
138.58850	0.8
152.99500	1.2
168.35330	0.7
193.20020	0.8
253.21735	0.9
269.15530	0.8
281.19070	1.1
284.17831	1.7
299.17410	1.1
299.20160	56.3
317.21201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
71.05039	5.7
92.18280	1.6
137.09700	0.9
179.10930	0.8
253.21628	1.2
284.17828	1.7
299.20172	36.3
317.17947	3.7
317.21213	100.0
336.03772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18919	0.2
59.01366	0.3
85.62053	0.2
117.86510	0.3
157.81532	0.3
179.10732	0.6
195.29219	0.3
257.19031	0.4
273.22217	0.6
317.21198	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	317.2119
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.41434	0.3
51.65931	0.3
53.53239	0.3
54.88575	0.3
59.01368	2.7
70.38904	0.3
71.05022	0.6
71.87035	0.3
73.03720	0.3
80.51380	0.3
85.06535	0.5
87.04475	1.5
99.04497	0.6
118.08985	0.3
119.75140	0.4
119.82922	0.3
136.68509	0.4
173.13327	5.0
177.11494	0.3
177.12802	3.4
187.14915	3.8
217.15942	1.8
227.19478	0.4
253.15916	0.5
255.17465	2.9
257.19101	5.6
271.16840	1.9
271.20148	0.4
273.18542	5.2
273.22156	2.1
291.23325	0.8
305.21060	1.6
317.17514	18.5
317.21106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2119
Annotation	8(S)-HEPE
Peak:m/z	Relative Intensity
57.30440	0.3
59.49586	0.3
69.24400	0.3
73.34081	0.4
86.29133	0.3
104.54245	0.3
108.01454	0.4
111.51642	0.3
114.76514	0.3
139.71883	0.3
145.15074	0.4
271.20648	1.7
296.11838	0.4
299.20166	19.6
315.19672	1.7
317.21194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2118
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.99586	0.3
65.76932	0.3
67.50757	0.3
68.66196	0.3
68.83590	0.3
75.45641	0.3
86.34420	0.3
92.18966	0.6
98.66975	0.3
152.80688	0.4
271.20697	2.5
299.20203	1.9
317.21188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	CAY10410
Peak:m/z	Relative Intensity
55.90803	0.3
58.91277	0.2
72.47332	0.3
87.49422	0.3
89.42397	0.3
92.19151	0.5
100.43039	0.3
175.11237	0.5
175.56274	0.3
191.14420	6.5
255.17491	3.6
257.19116	12.4
264.33572	0.3
266.71243	0.3
271.20670	24.9
273.22238	7.0
287.20093	4.8
317.21216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75378	0.5
75.78397	0.5
125.90107	0.6
176.45889	0.6
179.10838	0.6
262.98892	0.6
274.22424	0.8
318.21518	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	319.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.4
67.10003	0.3
71.84362	0.3
85.45933	0.3
134.03673	0.5
136.01636	0.8
151.03986	1.9
185.05878	0.4
195.04471	0.4
212.04897	0.4
213.05539	4.6
223.04001	0.7
224.04741	0.5
241.05063	87.3
256.07413	73.6
271.09763	100.0
274.35013	0.4
319.08475	0.4
319.11862	2.6
333.22876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1548
Annotation	Zearalanone
Peak:m/z	Relative Intensity
57.03415	2.3
59.01363	2.5
71.04999	2.7
91.43060	2.6
139.98479	2.5
161.09738	4.6
197.31618	3.0
203.42432	2.6
231.17525	30.0
233.15463	10.8
237.18279	2.9
254.20117	3.3
275.16547	100.0
275.19754	7.1
301.18076	4.0
319.15436	98.3
319.19144	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	319.1551
Annotation	Zearalanone
Peak:m/z	Relative Intensity
55.34838	0.4
71.04951	2.2
84.43670	0.4
92.45786	0.5
99.04511	6.8
121.06508	1.8
123.08069	0.6
127.07624	0.5
135.08133	0.5
139.07562	0.7
172.26144	0.6
175.11269	23.2
220.44173	0.5
229.15868	0.6
241.12254	0.9
243.13774	0.6
247.17068	0.5
257.15359	0.9
273.14807	0.7
275.16531	100.0
276.38364	0.5
293.17670	3.6
319.15524	69.6
319.18954	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	319.1912
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
59.01365	2.4
60.11232	1.1
69.80501	1.0
73.02930	6.4
96.75387	1.2
97.43580	0.9
101.95816	1.1
143.37520	1.2
192.08867	1.1
236.78876	1.1
243.13608	1.5
245.15416	5.1
257.15381	1.3
271.17087	1.9
273.18506	2.5
275.16574	4.0
283.16919	1.3
286.15781	20.7
289.18295	1.2
301.18091	46.4
319.15643	7.1
319.19110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1914
Annotation	(plusmn)alpha-CMBHC
Peak:m/z	Relative Intensity
57.03443	1.4
59.01366	0.8
63.86416	0.2
71.05015	9.7
77.24953	0.2
83.05016	22.8
87.45923	0.2
92.18279	0.2
95.05020	1.7
97.06515	0.2
97.91850	0.3
112.58426	0.2
161.13333	9.9
163.11241	1.9
164.06807	0.3
179.14426	1.9
187.14946	1.0
205.16052	0.3
217.15962	1.1
231.17505	2.0
252.40335	0.2
257.19125	6.1
275.20172	21.8
319.19135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1914
Annotation	(plusmn)alpha-CMBHC
Peak:m/z	Relative Intensity
57.03443	9.1
57.33304	0.5
58.09124	0.6
59.01376	0.8
60.18702	0.5
65.76193	0.6
67.60834	0.6
71.04995	1.1
83.05024	1.3
84.27641	0.7
87.04515	0.7
109.06586	1.3
127.55388	0.6
145.10213	2.5
159.11662	0.7
165.12859	4.2
173.09698	9.8
175.11269	1.0
185.88220	0.6
188.12042	0.7
209.87659	0.9
223.40137	0.7
233.57458	0.6
247.20619	0.8
253.31094	0.7
257.19113	16.8
260.24408	0.7
273.18683	3.1
275.20123	8.0
291.19638	0.8
311.47818	0.6
319.13474	2.8
319.19156	100.0
319.22705	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	319.1916
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
51.95223	0.2
71.05002	0.9
73.99564	0.3
80.02708	0.3
81.03446	0.4
89.74623	0.2
135.08156	0.2
222.41618	0.2
231.10188	0.2
255.17448	0.3
257.78094	0.2
259.17023	6.1
273.18735	1.4
275.20184	100.0
291.19766	0.8
294.27258	0.3
319.19144	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	319.1915
Annotation	Monacolin J
Peak:m/z	Relative Intensity
54.19434	1.7
59.01369	4.2
62.99274	1.8
71.01384	3.3
73.02937	16.3
73.17425	1.6
79.95725	3.2
82.41675	1.8
93.62648	1.7
95.73813	2.0
173.52159	2.0
183.13910	7.4
191.07471	2.5
199.13408	3.6
203.10881	2.4
245.13777	3.9
257.15427	2.5
259.16995	2.5
275.16647	4.4
275.20105	2.4
287.16534	2.6
289.18091	7.7
301.18057	19.7
305.17471	14.0
319.04834	3.3
319.11642	9.3
319.15698	7.1
319.19165	100.0
333.17096	9.4
343.82947	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	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
57.15574	0.6
59.01373	1.3
71.05022	3.7
71.26237	0.6
83.05022	4.1
87.04501	4.0
94.52795	0.7
101.72427	0.6
109.06576	8.8
145.10249	4.7
149.09851	0.8
163.11276	4.3
175.11397	1.0
177.12863	1.3
179.14438	1.2
189.12859	3.0
207.13942	5.2
211.14993	0.9
213.16362	2.3
229.19612	4.7
245.19049	4.2
253.15889	3.4
253.19534	0.8
255.17648	1.2
257.19116	18.4
265.93246	0.8
269.19153	5.3
271.17322	1.5
271.20667	18.1
273.18607	11.9
275.20276	9.2
285.18585	6.0
287.20212	20.4
289.21753	21.7
291.19592	9.3
299.20172	3.4
301.18311	1.4
301.21707	7.2
319.19107	99.0
319.22791	100.0
333.21271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46567	0.2
56.91788	0.3
59.01371	0.3
60.04194	0.3
67.81453	0.3
71.01351	0.3
72.07095	0.3
82.03973	0.3
87.81885	0.3
90.70953	0.3
111.04469	0.4
113.47302	0.3
145.59277	0.3
219.17503	0.4
251.18074	0.3
253.19547	0.6
267.17545	0.3
275.20230	1.9
301.21884	0.4
319.19427	5.3
319.22784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.23726	0.8
53.02519	0.9
55.98415	0.9
62.02023	1.0
70.63781	1.0
73.33619	1.0
73.85642	0.9
189.25682	1.2
194.71471	1.3
316.37839	1.1
319.22757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87942	0.5
71.05027	5.1
83.05036	2.2
89.68121	0.5
92.79623	0.5
100.16004	0.5
126.76139	0.5
149.76195	0.5
257.19107	2.7
259.17059	0.6
273.18576	0.6
274.65152	0.6
275.20203	36.5
289.09073	0.5
299.20172	2.6
301.21667	4.3
319.13763	9.3
319.19125	33.1
319.22772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13633	0.8
52.18949	0.8
53.70585	0.7
59.01742	0.8
68.02532	100.0
70.98026	0.9
71.05022	2.1
110.28707	1.0
151.21075	0.9
184.83131	1.0
190.09836	1.4
193.00664	1.1
194.01399	16.2
228.03427	7.0
251.08392	12.6
276.20557	19.0
284.09601	2.1
287.22546	1.0
302.10709	13.2
320.11679	36.4
320.19409	20.1
320.23099	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2227
Annotation	Malycorin A
Peak:m/z	Relative Intensity
52.14328	0.7
54.29557	0.8
62.31750	0.9
62.52512	0.8
70.70731	1.1
92.18488	1.1
106.04130	0.9
129.30373	0.9
171.10216	2.3
201.02626	1.1
211.13522	1.2
251.16481	1.4
259.20667	1.9
264.85422	0.9
275.20227	1.4
275.95749	1.1
276.23178	2.0
277.21707	34.9
285.18573	1.8
302.21259	6.0
303.19687	1.3
320.22296	100.0
320.25604	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	321.0615
Annotation	(+/-)-Altenuic acid II
Peak:m/z	Relative Intensity
56.55869	2.5
59.01377	3.5
71.33547	2.4
71.46973	2.4
88.70592	2.7
90.11941	2.5
96.81496	2.6
136.01660	3.6
149.02431	4.3
156.54233	2.9
163.03957	3.3
164.04791	14.8
187.04022	19.7
188.04802	93.6
189.05574	5.9
190.06361	21.5
196.03792	5.0
200.04727	32.3
203.07196	24.5
215.07161	23.6
217.05081	39.9
218.05824	52.1
233.08168	100.0
247.06046	6.3
259.06030	3.1
277.07144	29.8
308.47440	2.8
321.06140	60.1
321.10056	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	321.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19506	1.2
55.16702	1.2
58.02973	17.1
59.01377	15.2
70.02950	1.6
71.01372	17.5
72.51563	1.4
74.93951	1.3
76.66982	1.2
85.02949	1.5
87.00857	1.9
88.04030	74.8
89.02433	2.3
96.99294	1.4
100.29820	1.3
101.02423	1.7
109.10908	1.8
112.04028	8.2
114.01955	17.2
115.00356	36.4
119.03458	1.6
121.02314	1.4
130.05089	24.6
132.03021	36.1
140.06683	1.3
144.04512	21.8
146.02457	20.8
146.06110	1.9
156.03015	2.4
160.03958	2.1
168.93707	1.4
174.04065	36.8
187.05133	28.1
205.06213	2.7
215.08315	1.5
241.06210	3.1
256.34058	1.4
259.07205	11.8
285.05051	1.5
303.06265	15.9
321.07257	100.0
321.11642	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	321.0981
Annotation	Luisol A
Peak:m/z	Relative Intensity
50.70966	0.6
54.06441	0.6
56.68799	0.6
57.03454	1.4
59.01374	1.1
59.78458	0.6
69.03449	0.8
71.05030	1.5
75.41379	0.7
80.61887	0.7
83.05035	0.8
92.18417	1.4
95.05031	1.0
99.04504	3.4
107.05025	4.2
111.04568	0.7
121.06609	1.0
125.06080	1.2
151.00391	1.2
152.01157	3.5
172.09003	0.8
177.12907	3.2
187.04016	1.3
189.02008	1.1
189.12875	5.5
190.02757	3.8
195.13927	1.0
215.03490	2.7
216.04323	3.4
216.07919	3.7
219.13797	1.0
229.05061	42.6
229.08803	3.3
231.17580	0.9
234.08968	1.3
243.06581	3.2
244.07407	100.0
247.17181	1.1
249.18697	1.4
259.09760	38.2
259.17108	1.8
262.08478	16.0
277.10831	6.1
277.18127	17.1
303.08786	7.5
311.38391	0.8
321.06732	1.2
321.09842	58.4
321.17114	60.3
321.20706	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1704
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
54.28203	0.8
57.03445	1.3
58.25602	1.1
61.48235	0.9
66.97072	0.9
70.71724	0.9
71.05009	5.3
83.04980	1.7
87.04483	1.3
90.23657	1.1
99.04479	10.6
107.05042	4.3
107.31099	0.9
177.12808	9.8
189.12842	6.7
195.13972	1.8
219.13927	2.0
229.05069	1.3
231.17485	2.6
233.19156	1.4
244.07433	6.3
247.17178	2.0
249.18488	1.5
259.09778	1.9
259.16968	4.9
261.07516	4.1
277.18048	34.0
277.20905	1.8
284.81714	1.4
306.54453	1.1
321.09418	2.1
321.17059	100.0
321.20395	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	321.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74371	0.9
52.85415	0.9
53.32988	0.8
59.01373	14.7
73.44443	0.9
86.63082	1.1
96.30536	1.1
141.68500	1.2
156.01961	1.3
165.62126	1.0
239.20152	100.0
277.25580	1.4
321.20526	46.7
321.24329	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	321.207
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
59.01365	1.8
61.39201	0.4
68.38282	0.4
83.01353	0.4
85.02916	0.4
87.04507	1.7
92.18436	0.6
93.86956	0.4
103.43536	0.4
114.81519	0.4
116.40301	0.4
119.86230	0.4
120.47832	0.4
147.83017	0.4
198.57932	0.5
219.06378	8.2
241.15933	0.7
243.06393	3.2
259.16980	1.0
261.07413	26.3
273.18723	1.5
277.17926	0.8
279.08337	2.1
291.19650	9.2
293.21237	2.7
293.26218	0.4
303.08505	2.8
303.16327	0.6
303.19342	3.3
321.09787	10.8
321.17252	6.3
321.20657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0936
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
50.44095	1.0
57.77098	1.0
58.60865	1.2
59.01388	58.6
59.56961	1.3
65.84551	1.1
71.01387	30.2
75.48907	1.2
85.02988	4.6
89.01895	2.0
89.02448	50.2
94.15283	1.3
95.01375	1.3
101.02439	22.9
113.02457	16.7
116.05057	21.5
119.03510	10.4
160.02754	1.8
160.04057	41.3
202.05127	19.9
232.06317	2.0
262.07205	23.3
321.78995	1.6
322.09360	100.0
338.36652	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	322.1328
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
51.03877	0.2
53.48203	0.2
62.11551	0.3
62.37291	0.3
67.96892	0.2
68.02531	100.0
70.98699	0.3
82.04092	3.4
89.28202	0.2
92.18332	0.3
99.08147	32.4
109.06578	1.1
111.00064	1.2
121.53246	0.2
124.31755	0.2
137.10829	0.5
150.88718	0.3
164.00375	2.4
165.01085	4.3
166.09787	0.4
193.07843	0.5
221.07387	12.3
239.08420	6.2
281.12515	0.3
282.41174	0.3
309.96597	0.3
322.13437	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	322.1327
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
68.02525	41.6
82.04099	10.3
99.08145	25.0
114.90778	2.5
126.99532	26.0
159.15036	2.4
223.08876	22.7
235.08873	17.3
239.08435	76.8
253.09996	37.2
273.80383	2.6
322.13275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1332
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
50.37388	0.7
63.52082	0.7
68.02541	85.2
79.54028	0.8
80.92303	0.7
82.04082	1.0
96.36367	0.8
96.96009	0.7
111.00060	1.6
126.50570	0.7
128.10808	3.4
130.08737	31.2
133.48076	0.8
133.65205	0.8
156.20169	0.7
159.62996	0.7
163.17473	0.7
166.01932	6.1
182.98203	0.9
209.07414	100.0
239.08507	1.3
283.21646	0.9
322.13220	4.9
322.16681	1.4
322.20355	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	322.2386
Annotation	Melophlin K
Peak:m/z	Relative Intensity
54.83658	1.0
69.32809	0.8
77.12300	0.7
99.52968	1.0
159.21872	0.9
172.75200	0.8
191.13911	0.8
193.60182	0.8
211.13487	0.9
261.22308	1.9
273.87775	0.9
279.23306	100.0
287.20181	1.0
304.22760	1.4
322.23886	44.5
322.27304	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2753
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
52.93341	1.4
66.23788	1.4
72.04550	8.2
81.81824	1.4
86.02470	10.9
96.02003	1.5
100.04012	2.3
120.91529	1.5
180.62851	1.9
199.25583	1.9
224.83762	2.0
255.19786	1.9
255.66299	1.9
263.23871	2.1
302.24814	2.5
320.26016	32.5
322.27579	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	323.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09181	1.1
59.01385	8.9
69.03433	1.4
71.01373	2.1
85.02965	0.8
89.02425	3.8
96.96001	1.6
101.02468	3.5
113.02349	1.0
118.51048	0.8
120.22401	1.0
133.02924	1.9
136.01602	4.5
147.04451	3.1
151.04025	6.2
153.05576	1.1
167.03369	1.2
172.01628	29.9
177.05544	12.2
187.03986	60.0
190.02678	4.6
205.05051	78.0
217.05042	1.4
217.21959	1.0
220.03741	12.6
220.94162	1.1
235.06094	100.0
249.03978	1.6
251.12918	1.3
279.05109	19.9
279.08276	1.6
323.03891	6.0
323.07809	6.2
323.11145	2.6
323.13422	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	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56937	2.5
57.03448	54.1
59.01382	80.8
62.13047	2.7
63.96949	3.2
64.96494	2.7
67.75986	2.9
67.86697	2.8
71.01375	42.4
72.91722	2.6
72.99283	3.9
73.02937	42.8
74.86667	2.8
75.00855	4.1
78.95901	16.1
80.96504	4.5
83.01409	4.4
85.02946	3.6
89.02432	60.4
96.96952	12.9
99.04514	66.6
101.02433	54.7
106.70198	3.8
113.02443	25.8
113.06042	4.1
119.03482	16.1
123.04515	19.6
125.02434	14.5
131.03548	4.8
143.03479	27.4
152.26804	2.9
161.04541	100.0
179.05565	29.2
193.61501	3.1
196.27185	3.2
208.71094	3.4
233.06581	7.1
240.50880	3.5
263.07669	31.2
284.59079	3.7
323.02881	14.3
323.09912	84.4
323.13495	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	323.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.03444	2.6
69.72298	2.4
71.01379	59.1
72.99319	2.8
73.02943	12.8
78.95902	2.6
83.01370	5.3
85.02950	12.7
87.00885	3.5
88.25653	2.5
89.02431	57.5
96.96968	4.2
97.02946	6.2
99.00919	3.4
101.02436	48.9
113.02441	25.2
119.03488	20.6
125.02431	16.6
133.02965	14.0
143.03532	3.4
161.04633	8.9
165.95822	3.2
173.07231	11.0
177.06712	3.9
179.05624	6.3
187.03984	3.0
191.08276	6.2
205.06200	11.7
219.07758	6.5
221.06659	12.3
261.04633	3.1
263.07611	2.8
313.82526	3.3
323.04333	3.9
323.07846	3.9
323.12894	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	323.125
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
57.79703	0.5
59.01383	42.1
59.01684	1.4
64.66373	0.5
64.70414	0.5
67.11600	0.5
71.01376	6.4
72.99286	0.8
73.09381	0.5
82.91827	0.5
89.02440	6.2
89.99057	0.6
101.02421	4.3
104.49111	0.5
115.03232	0.5
119.03464	1.0
125.99270	0.7
133.38278	0.5
151.03973	0.8
160.06441	3.7
161.07201	34.3
175.08769	31.8
189.06709	100.0
190.06389	2.9
201.10471	0.7
202.06360	1.1
203.08279	38.9
205.08636	0.6
212.33844	0.6
217.08621	0.9
220.07452	1.1
229.09792	2.8
235.09758	3.5
262.77621	0.8
279.08780	3.8
305.11420	2.2
323.08450	2.8
323.12479	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	323.1346
Annotation	Antibiotic DO 248A
Peak:m/z	Relative Intensity
58.00589	0.5
59.01376	59.1
70.54248	0.5
71.01372	27.3
72.99292	0.6
73.02924	0.9
75.20374	0.4
83.01367	1.0
85.02927	3.6
89.02425	44.1
95.01366	2.6
99.08144	0.7
101.02425	23.9
113.02423	16.8
119.03476	14.8
131.03490	0.6
161.04544	0.7
161.08235	0.6
179.05597	0.8
182.11971	0.5
231.81903	0.4
233.57629	0.5
323.13458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.15
Annotation	CJ 12373
Peak:m/z	Relative Intensity
57.03447	2.1
57.58855	1.0
58.86221	1.1
59.01381	1.7
59.71051	1.1
81.64877	1.3
85.06572	2.1
99.08114	1.8
107.04992	1.6
109.06561	1.6
113.06074	2.0
114.54417	1.3
133.06563	1.8
135.08153	3.2
149.09669	2.1
149.15160	1.3
151.07602	3.0
153.09225	1.6
153.20157	1.3
161.09668	1.7
171.10249	2.0
187.45175	1.3
191.14421	2.2
205.15990	11.2
217.15852	2.5
219.13986	2.5
235.17049	8.3
246.08017	1.7
247.13353	2.5
261.14975	9.7
261.17694	1.3
279.12976	1.8
279.16028	44.1
279.18985	2.1
305.14078	6.4
305.17493	2.0
323.14951	100.0
323.18643	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
53.51493	0.5
57.03447	1.1
59.01374	1.0
59.55076	0.5
85.06580	1.7
92.19062	1.6
93.07085	3.0
99.08147	4.4
111.08115	1.0
131.58011	0.7
132.62631	0.7
143.07152	1.5
149.09689	1.3
161.80551	0.7
186.22069	0.8
205.15956	13.6
207.14014	1.6
223.16902	1.1
261.18646	0.8
279.19571	1.4
287.16544	1.1
305.17374	6.1
310.50748	0.8
323.15582	3.9
323.18637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1867
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03466	5.2
59.01383	10.1
62.78316	3.9
69.38855	3.9
71.05022	25.8
81.03429	8.1
83.01387	8.6
83.05038	26.1
95.05041	57.3
102.26167	4.6
109.06575	6.4
113.06105	44.8
114.54462	5.8
125.09705	9.2
135.08159	8.0
151.07619	6.9
171.10295	11.3
203.10939	5.7
209.11879	67.1
211.32146	5.2
235.13567	6.7
237.14931	47.7
237.39449	5.4
250.58435	4.9
261.18796	7.1
265.14365	6.5
287.16592	34.9
305.17639	63.1
323.18677	100.0
323.22113	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	323.2591
Annotation	15-HEDE
Peak:m/z	Relative Intensity
63.95720	0.6
65.78182	0.5
69.99197	0.6
83.05025	5.0
85.06578	15.2
94.04166	0.7
95.04988	0.8
97.06554	1.0
99.28653	0.6
112.01744	1.0
121.70145	0.6
150.96019	0.6
159.48955	0.6
163.18100	0.7
198.33751	0.7
213.63136	0.7
232.88435	0.6
237.22273	1.0
277.25381	1.3
279.26917	100.0
305.24893	8.6
323.25909	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2589
Annotation	15-HEDE
Peak:m/z	Relative Intensity
50.06385	0.4
50.44463	0.4
51.98530	0.5
53.87892	0.4
58.74529	0.5
63.67945	0.4
69.03449	9.2
71.01371	0.7
73.49999	0.5
73.59267	0.5
76.94903	0.5
82.21733	0.5
83.05011	3.4
93.94096	0.5
94.75137	0.5
123.08166	0.6
154.75006	0.5
218.72243	0.5
233.19594	0.5
254.80742	0.7
272.23456	0.5
277.25330	18.9
279.26907	100.0
295.26312	1.0
318.95242	0.6
323.25897	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	323.2591
Annotation	(plusmn)11-HEDE
Peak:m/z	Relative Intensity
59.01370	10.3
60.42412	1.8
64.16187	2.2
79.06322	1.9
83.02493	3.4
98.02477	3.7
126.06791	2.0
167.88882	2.0
171.10153	2.9
199.13417	13.2
223.16931	3.5
240.96964	2.5
246.36131	2.1
249.71700	2.0
305.21191	13.7
305.24823	26.5
323.22250	11.0
323.25839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.259
Annotation	14,15-EE-5(Z)-E
Peak:m/z	Relative Intensity
59.01370	4.2
65.42678	0.8
79.84019	1.1
90.19997	0.8
92.16943	0.9
141.12453	0.9
153.12785	1.0
179.14388	0.9
182.76921	0.9
199.13379	5.1
225.18668	1.3
241.21794	0.9
279.26917	1.0
305.17966	1.2
305.21210	8.7
305.24829	8.6
317.10208	1.0
323.22397	7.4
323.25885	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	324.0721
Annotation	Midazolam
Peak:m/z	Relative Intensity
59.01363	2.4
65.06496	1.1
68.99800	31.9
91.68758	1.3
96.99287	55.3
122.72041	1.1
127.21999	1.2
145.70238	1.2
148.00404	9.4
162.01926	2.2
163.02730	25.8
164.03510	5.4
178.05055	52.8
180.06664	2.1
191.02245	2.9
204.03134	1.7
206.00905	2.1
218.01035	1.5
233.03300	2.8
234.04007	2.1
236.05685	1.7
249.02705	1.6
264.05090	23.2
309.04977	3.0
324.07227	100.0
324.19235	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	324.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59805	1.1
67.69237	1.2
82.90210	1.4
83.74669	1.2
147.60562	1.4
222.87125	1.3
274.66113	1.2
280.27090	2.7
281.24847	100.0
307.10211	1.4
324.21689	1.6
324.25464	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.9
62.98608	0.7
71.01363	0.9
72.99300	1.2
73.02940	0.9
84.91312	0.8
85.02950	1.0
85.46469	0.9
87.00869	1.7
101.02428	5.6
119.04958	8.0
135.04594	0.9
146.03763	1.0
148.05284	1.4
163.02454	3.8
163.03998	7.8
174.03192	34.2
175.03926	0.9
177.05542	1.4
181.05096	1.7
189.05563	100.0
204.04280	4.6
211.06151	1.5
219.06709	1.1
237.07631	10.6
265.12851	1.4
281.06668	14.6
325.05466	4.9
325.09598	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	325.0716
Annotation	3,5-Dimethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
67.01888	0.5
79.42775	0.3
84.21587	0.3
92.18346	0.5
93.03425	1.4
93.20247	0.3
96.68127	0.3
107.04992	0.7
111.68775	0.3
114.28300	0.3
117.03406	1.2
119.05003	6.4
130.37201	0.3
131.07802	0.3
134.03734	9.1
135.04520	15.7
143.05005	1.8
148.75888	0.3
168.19775	0.3
169.06537	0.4
193.06560	8.4
195.08195	2.7
201.94521	0.3
207.08110	0.3
208.08902	0.4
209.09816	2.2
210.06851	0.7
211.07697	1.9
219.08134	6.9
222.06830	2.9
235.07616	3.1
236.08376	6.0
237.09207	100.0
258.09601	0.3
263.07089	1.4
281.08194	55.9
307.06177	0.7
325.07172	44.5
325.13217	1.2
335.17230	0.3
341.34570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
59.01365	6.7
66.28427	0.6
70.76070	0.7
71.01357	1.6
73.98946	0.7
74.47666	0.7
83.01390	0.8
85.02952	0.8
86.53687	0.7
87.00854	1.8
89.02420	3.4
90.75941	0.8
101.02444	1.2
109.02901	0.8
112.14606	0.8
113.02446	1.0
117.03455	6.1
119.04977	13.8
119.51273	0.8
145.02934	100.0
153.05528	1.2
163.03989	28.2
187.04016	1.8
191.06949	0.9
230.53496	0.8
235.06175	0.9
265.06958	0.9
325.09283	20.0
325.16644	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	325.1071
Annotation	Ser-Val-OH
Peak:m/z	Relative Intensity
58.91375	0.2
59.01374	1.4
71.01349	0.3
72.99300	8.3
73.50257	0.2
75.00857	2.3
79.95744	1.7
80.96504	0.5
81.96249	0.3
101.02402	0.4
106.98068	2.3
115.05098	0.2
118.64008	0.2
124.00716	21.8
143.03465	0.3
146.08234	1.1
163.06149	0.3
178.01836	2.4
181.07164	1.2
195.04439	12.8
223.03922	14.7
251.03407	0.6
307.09683	0.6
325.10745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1083
Annotation	Pongamone E
Peak:m/z	Relative Intensity
59.01375	10.8
61.08789	2.1
64.64283	2.4
64.80924	2.3
66.55455	2.2
71.01379	11.9
71.05015	2.8
73.02905	2.1
73.15106	2.2
92.18382	4.7
96.01814	2.4
114.23052	2.3
121.02962	27.8
128.05392	2.1
131.05057	3.5
142.42590	2.5
149.02420	23.9
161.06104	3.0
163.03973	2.3
164.04861	2.4
170.94211	2.4
181.08720	2.6
209.15469	4.4
233.06145	2.7
237.18761	2.6
243.71539	2.8
249.05644	10.4
251.07152	10.7
253.14511	22.9
262.06354	12.3
263.07297	3.6
263.16635	3.3
266.05865	9.1
267.06525	3.3
278.05844	15.9
278.14902	2.3
279.06577	9.0
280.07410	91.7
281.08231	16.4
281.14423	4.0
281.17572	23.7
293.08115	19.1
295.09735	32.8
307.09778	5.3
310.08508	17.3
313.91534	2.6
325.10556	56.5
325.16577	100.0
325.19833	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	325.1079
Annotation	Egonol
Peak:m/z	Relative Intensity
59.01378	4.6
59.08804	2.8
62.83203	3.0
65.85581	2.8
71.05000	3.2
79.90739	2.9
93.03426	57.6
93.62199	3.2
96.13578	3.2
97.06605	4.2
123.08109	6.0
129.03423	15.9
135.08138	12.1
143.05013	18.8
157.08722	3.7
159.04446	3.4
159.06664	3.0
163.03983	3.0
164.13318	3.4
171.10208	6.1
185.11813	7.3
187.04001	31.1
195.10277	4.4
231.02950	4.5
245.19151	5.6
249.14944	12.0
251.03569	4.6
251.07144	21.1
267.06613	23.1
277.04745	4.7
279.66449	3.6
281.08075	20.4
289.18076	60.5
295.06082	100.0
307.19070	20.3
310.04849	4.7
310.08325	41.3
316.44333	3.5
319.33676	4.1
325.07080	72.2
325.10779	96.6
325.16617	12.9
325.20081	63.0
335.99100	3.7
338.32693	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	325.1144
Annotation	H disaccharide
Peak:m/z	Relative Intensity
50.27624	0.8
55.25214	0.8
55.32944	0.7
57.03456	22.7
59.00442	0.8
59.01382	36.0
59.16375	0.8
59.51840	0.7
62.05420	0.9
71.01375	9.2
73.02943	5.8
75.25945	0.8
78.95918	1.3
79.31944	0.8
83.01392	0.9
85.02957	5.8
87.00876	1.4
87.92307	0.7
89.02439	16.0
92.18285	0.9
96.96967	1.7
97.02927	0.9
99.04514	34.8
101.02440	29.3
103.04004	1.0
113.02462	6.3
115.04016	1.1
119.03520	4.0
124.00764	0.9
125.02418	9.6
130.19292	0.9
131.03517	4.4
143.03511	1.6
144.08786	0.8
149.04642	0.9
149.30615	0.7
151.04013	0.9
161.04556	15.6
163.02351	1.4
163.06133	27.8
181.07185	100.0
190.04906	0.9
223.08238	15.9
248.13179	0.8
263.11539	1.9
325.11407	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	325.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83161	1.1
59.01381	100.0
71.01376	14.0
73.02946	7.0
75.87862	1.3
83.01368	1.9
85.02936	5.0
87.00875	6.6
89.02451	2.5
99.00848	1.7
101.02441	14.7
113.02441	9.2
119.05027	6.4
120.99539	1.9
147.53540	1.4
148.05252	1.4
160.05228	1.5
161.04524	9.2
163.04004	8.0
163.07626	2.6
174.03212	24.3
189.05573	72.4
203.03532	2.6
204.04276	7.1
219.06604	3.1
237.07668	13.9
244.12950	1.5
265.12921	46.0
269.31891	1.4
281.06613	13.1
325.05719	4.0
325.09473	7.3
336.11349	1.3
348.76889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1659
Annotation	Botryaloic acid acetate
Peak:m/z	Relative Intensity
52.23311	0.6
52.78400	0.5
55.55586	0.5
59.01377	3.7
74.52842	0.6
99.89321	0.7
102.65830	0.5
108.73922	0.5
138.57610	0.6
176.01138	1.4
177.01897	1.6
207.17564	0.8
263.16483	4.8
281.17581	51.8
302.05371	0.7
307.15591	1.5
307.18967	0.8
325.16589	100.0
325.20023	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	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.44406	1.3
57.03432	6.6
59.01364	3.2
63.53793	1.6
69.03452	1.8
71.04998	1.9
71.35526	1.4
77.11327	1.4
78.70363	1.3
83.05003	5.3
84.02132	1.6
85.06566	2.2
92.27415	1.3
94.77583	1.2
95.05003	3.1
97.06562	6.1
99.08171	1.7
109.06563	6.3
123.08126	3.0
125.09702	2.5
127.07636	5.9
135.08167	2.4
137.09644	1.7
139.07591	2.0
153.09148	6.0
155.10770	2.0
163.11351	1.7
171.10260	18.1
185.11826	9.6
191.14366	1.5
195.13872	5.0
196.07664	8.5
197.11864	6.0
201.11304	19.9
209.11797	18.4
211.13411	2.3
237.14920	73.8
240.06651	8.3
245.19051	3.4
249.15298	1.6
251.16531	2.8
289.18085	40.0
307.19171	43.4
325.20163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.88619	0.4
65.01449	0.5
66.34876	0.5
77.65605	0.6
83.02501	0.6
106.43562	0.6
116.45430	0.4
123.81184	0.5
125.09726	0.5
149.09705	69.3
163.11272	78.8
244.98514	0.5
265.25433	1.1
281.28448	0.6
307.19415	0.8
307.26459	0.8
325.18799	4.1
325.21710	100.0
325.27148	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	325.2748
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
50.74448	0.6
54.14973	0.7
56.74485	0.6
59.01380	88.3
73.35118	0.7
92.18527	1.3
92.19068	0.7
94.12813	0.7
134.29016	0.7
153.47890	0.6
183.01234	1.0
245.67610	0.7
271.86911	0.8
279.19492	0.7
281.27698	4.4
307.19315	0.9
325.18439	9.1
325.27460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2748
Annotation	2-Oxophytanate
Peak:m/z	Relative Intensity
57.03458	0.3
58.45245	0.3
62.21386	0.3
63.17450	0.3
69.03445	1.4
71.05018	8.8
91.55973	0.3
145.77310	0.3
183.01201	0.7
212.49358	0.3
239.23836	1.5
248.68550	0.3
253.25368	1.2
267.27005	0.5
279.26981	3.3
281.28494	16.8
295.87796	0.3
308.84995	0.3
325.18851	6.7
325.27484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2751
Annotation	11,15-Epoxy-3(20)-phytene-1,2-diol
Peak:m/z	Relative Intensity
51.50485	0.8
52.86669	0.9
57.03227	1.0
57.03454	14.7
61.24451	0.8
66.14925	0.9
67.37383	0.9
70.03471	1.0
70.41735	1.0
73.02569	0.8
73.22565	1.0
85.18187	1.0
149.98561	1.0
264.32037	0.9
265.25366	64.4
304.34061	1.0
307.26453	1.2
325.18704	9.6
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	325.2746
Annotation	Gymnospermin
Peak:m/z	Relative Intensity
51.28196	0.6
71.05009	3.9
85.06576	0.7
94.99018	0.6
145.53542	0.6
181.79932	0.7
183.01302	1.0
237.22226	4.8
239.23788	100.0
265.25299	1.3
279.26883	13.6
281.28491	66.2
307.26468	2.7
325.18689	6.4
325.27478	60.6
339.24426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2749
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
72.49622	0.8
90.05789	1.0
105.52676	0.9
131.12039	0.9
155.14468	1.5
180.00833	1.0
199.13361	10.5
297.24405	1.2
307.26459	15.3
325.18829	3.9
325.27499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54319	0.3
53.73899	0.3
55.39124	0.3
59.01384	0.4
95.98447	0.4
96.08823	0.4
122.83632	0.4
134.04701	0.5
140.02037	3.5
141.99982	0.8
158.03087	0.4
162.52934	0.3
182.10574	0.3
184.01012	100.0
198.76245	0.4
217.00648	0.5
229.55161	0.4
325.95715	0.4
326.02206	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	326.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79193	0.1
51.57341	0.1
53.27355	0.1
59.01104	0.2
59.01380	4.8
60.79733	0.1
66.69775	0.1
68.97751	0.1
73.79770	0.2
80.64676	0.2
82.22226	0.1
107.03636	0.4
133.82220	0.1
134.04718	100.0
146.02390	0.2
149.36902	0.2
192.76930	0.2
266.08942	5.6
266.11703	0.3
326.11069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2336
Annotation	10-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
51.82425	1.6
55.46818	1.7
56.37068	1.7
59.01377	7.5
61.98835	1.6
62.78218	1.4
63.51357	1.7
74.87955	1.9
83.05019	3.9
93.65234	1.8
94.13828	1.6
97.06599	9.4
99.08165	3.6
113.09735	1.9
127.11305	2.8
129.05571	2.1
141.05530	1.8
155.07152	2.2
157.07552	2.8
157.08643	17.5
168.10349	1.8
171.10263	12.0
175.44313	1.8
193.15955	2.5
198.11270	3.3
200.12874	8.2
208.32637	1.8
211.17058	3.5
214.14418	13.7
226.14481	2.2
247.20709	7.1
284.25909	3.2
290.21130	6.5
291.19647	18.6
307.26514	2.1
308.22305	18.6
309.20667	11.1
326.19226	4.5
326.23322	100.0
326.27216	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	326.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26844	1.0
59.01382	76.8
60.01725	10.5
60.45052	1.1
72.34906	0.9
73.21746	0.9
91.61334	1.2
117.47214	1.0
134.42491	1.0
134.77296	1.0
149.84242	1.1
172.34625	1.1
179.08516	1.0
193.92947	1.2
224.86919	1.1
280.27307	1.4
282.27936	2.3
315.49814	1.3
326.18845	6.8
326.27835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0872
Annotation	Methylgnaphaliin
Peak:m/z	Relative Intensity
59.01380	9.9
61.48110	2.1
61.65397	2.0
67.36155	2.2
70.68385	2.3
101.54465	2.0
182.95049	2.2
208.05368	2.7
223.04417	2.4
224.04991	2.5
225.05524	14.6
228.03963	2.7
237.05618	10.6
239.07301	2.5
253.05006	32.1
256.07410	3.1
268.07315	10.1
269.04553	23.1
281.04520	16.6
282.05331	4.4
284.06952	8.9
296.06866	17.0
297.04062	96.5
297.07343	4.6
311.05771	4.6
312.06375	36.3
327.08731	100.0
327.14545	7.9
327.18011	9.7
327.21539	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	327.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
64.12971	0.2
69.59681	0.2
73.43011	0.2
93.03424	0.3
117.03445	0.3
119.05009	100.0
121.02950	0.2
163.03998	48.8
181.34778	0.2
185.02214	0.2
205.30212	0.2
223.03482	0.4
245.03020	0.2
267.02737	0.4
283.19412	0.2
293.77676	0.2
327.05032	0.2
327.08740	0.4
327.14548	0.3
327.18051	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0877
Annotation	(6aS)-6,6aalpha-Dihydro-2,3-dimethoxy-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(12aalphaH)-one
Peak:m/z	Relative Intensity
56.30248	1.3
57.03449	1.2
59.01380	2.4
61.63972	1.3
64.71626	1.3
73.02940	1.5
85.02943	3.3
87.73979	1.3
102.30378	1.4
108.02171	11.9
123.04562	11.7
137.09671	1.6
157.08733	1.9
171.10268	14.8
190.60001	1.6
201.11295	1.9
211.13687	2.4
238.06366	3.2
241.05090	3.0
253.05153	7.2
266.06006	5.1
267.06787	1.9
269.04556	13.6
283.06143	16.4
284.06934	12.9
293.04495	1.5
294.05457	2.4
295.06146	15.1
297.04117	10.5
309.20691	9.0
311.05627	19.8
312.06445	41.5
327.08795	100.0
327.12024	3.8
327.18347	2.6
327.21802	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.109
Annotation	Paeonoside
Peak:m/z	Relative Intensity
51.17617	0.5
59.01383	13.6
65.22824	0.7
68.14719	0.7
71.01362	1.2
89.02466	0.7
93.03474	1.1
95.01426	0.7
101.02409	0.7
119.05049	0.8
121.06585	4.5
124.14098	0.7
147.04520	18.5
150.03178	0.9
165.05566	100.0
195.06677	0.8
234.90077	0.8
327.07361	1.0
327.10986	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	327.1241
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
54.90909	0.2
56.39924	0.2
58.01945	0.2
59.01424	0.3
62.60489	0.2
76.96500	0.3
91.69608	0.2
109.02937	0.4
118.15161	0.3
121.02948	5.5
141.55064	0.2
147.04561	1.7
158.03789	0.5
163.03978	2.3
175.04012	10.8
176.04881	0.3
187.04076	0.4
190.06381	7.5
203.07176	1.2
222.05281	3.7
223.07698	1.1
225.05623	0.4
233.06059	1.0
235.07620	0.5
237.05611	0.3
239.07237	1.2
241.05121	1.7
244.67552	0.3
248.04942	0.3
249.05687	1.2
250.06300	0.5
251.07135	3.6
253.08725	0.6
254.05807	0.4
256.07532	0.5
261.05597	4.7
261.97977	0.3
262.06274	0.5
263.07233	1.4
264.04245	0.6
264.07901	0.4
265.08710	0.3
267.06674	5.7
268.07452	1.6
269.08203	14.0
278.06180	0.4
278.09485	0.3
279.06650	15.2
280.07352	0.4
282.09027	1.5
283.09760	5.4
293.08270	1.1
294.08987	6.0
296.07034	0.4
297.07706	82.8
309.11353	13.8
311.09238	3.3
312.06384	0.6
312.10068	29.4
327.12393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1241
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01372	2.5
59.05711	0.6
73.02940	0.7
85.02905	0.8
87.04522	0.6
93.03429	0.8
121.02955	9.8
137.06146	0.7
145.63925	0.6
147.04430	0.9
149.02437	100.0
164.04822	16.4
165.05576	5.8
179.07146	1.5
268.07333	1.2
269.08270	1.5
281.08057	0.7
283.09802	2.8
297.07614	3.1
312.10034	18.1
327.12338	58.2
327.18488	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1238
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
57.03430	0.9
58.07521	0.8
59.01373	6.4
62.17366	0.9
71.41994	0.8
73.02934	6.7
78.21431	0.9
96.96048	1.0
106.07039	1.0
109.02929	15.6
119.82133	1.0
125.65587	1.0
136.01669	6.2
143.07158	1.6
151.04004	8.5
159.04575	1.7
160.05304	22.6
164.04846	0.9
171.10213	8.1
175.07619	8.2
193.12402	1.3
211.13298	1.6
221.15598	1.2
239.07283	1.1
253.18082	11.3
265.18155	4.7
267.06638	56.3
273.18680	1.3
282.08972	45.5
283.19180	6.5
291.19519	1.5
297.11276	21.3
309.20822	8.8
312.09988	3.9
327.05615	1.3
327.09012	3.7
327.12390	58.5
327.21768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1451
Annotation	tetranor-PGEM
Peak:m/z	Relative Intensity
54.14491	1.2
59.01376	8.7
62.76173	1.3
64.87345	1.4
71.05025	2.0
73.02941	6.6
84.58174	1.6
86.61629	1.6
90.44106	1.6
92.18378	1.6
113.25940	1.7
152.26822	1.4
166.31252	1.7
175.04074	2.1
193.16017	5.6
195.17534	2.4
197.95732	1.5
209.11841	22.0
221.15515	8.7
237.14981	1.9
239.16528	28.5
245.57567	1.9
262.77625	1.6
265.14471	3.1
267.06598	2.5
269.08047	2.4
279.06583	9.8
283.09708	2.7
283.15570	17.2
283.18738	2.6
294.08728	2.5
297.07706	32.9
309.13934	21.0
310.65598	1.8
312.10052	9.3
327.05167	6.2
327.14908	100.0
327.18097	10.0
327.21570	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	327.1448
Annotation	tetranor-PGEM
Peak:m/z	Relative Intensity
59.01377	8.0
63.80435	1.5
66.48471	1.4
73.77830	1.4
77.10871	1.7
79.14012	1.5
80.84698	1.5
85.06565	1.6
87.04507	2.7
88.56530	1.7
89.02452	2.9
92.18389	2.0
122.96445	2.1
205.12311	3.8
211.80812	2.4
221.15485	11.2
227.86757	1.9
239.16489	17.7
247.13434	2.7
253.08723	3.0
265.14417	46.4
283.15488	12.4
297.07794	3.2
306.49286	1.6
309.13495	7.1
312.10263	2.1
322.55157	1.9
327.05145	3.7
327.08795	3.2
327.14539	100.0
327.17978	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	327.1811
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
50.51764	0.5
51.52800	0.7
59.01376	2.9
62.15349	0.7
66.08011	0.6
71.05023	1.1
72.65771	0.6
75.72386	0.6
83.05020	4.6
85.02927	6.2
85.06570	1.1
89.73149	0.6
93.03434	4.6
97.06593	2.8
100.22525	0.6
101.06066	2.7
105.33471	0.6
109.06583	1.0
111.04475	4.9
114.06857	1.4
121.06595	0.8
125.09692	2.9
127.03997	5.1
127.11243	0.8
136.01601	1.0
137.09689	4.8
139.11310	0.9
151.03995	1.8
151.11345	0.8
153.12817	7.1
165.12848	1.2
168.93332	0.6
169.12343	3.6
171.10208	10.7
177.01961	5.2
181.12303	9.1
183.10205	1.0
183.13884	7.6
185.11749	0.8
191.37126	1.0
197.11819	6.4
199.13390	12.7
201.11499	0.8
211.13332	5.1
221.19089	1.1
223.16986	1.0
228.13766	1.4
229.14407	1.2
235.17033	1.1
237.15015	1.4
237.18500	5.1
239.20175	0.9
247.16905	1.4
251.16495	1.3
255.19630	1.6
265.18076	11.3
281.04544	2.8
283.19131	93.9
291.19595	3.5
309.17035	18.6
309.20691	5.1
312.06406	9.0
327.05161	1.4
327.08804	20.1
327.18063	35.8
327.21750	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	327.2181
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.86899	0.3
57.03444	2.6
69.03454	1.5
71.01392	0.6
77.12090	0.4
78.52733	0.4
85.02947	13.7
85.03432	0.7
95.05034	0.6
97.02930	1.0
97.06593	2.7
119.08652	0.5
125.09677	0.5
127.11285	1.7
137.09708	5.1
148.64333	0.4
155.10742	0.6
161.09589	0.4
165.12837	0.7
167.14417	0.7
171.10274	30.2
177.12776	0.6
183.13889	5.0
185.11935	1.5
193.12297	1.5
201.11266	1.4
203.10841	0.5
209.11842	1.7
211.13403	20.6
221.11850	1.7
224.25967	0.4
229.14453	9.3
239.12851	1.0
291.19769	2.1
327.21799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.44328	0.5
53.84622	0.5
56.08359	0.5
57.03445	3.1
57.56855	0.5
58.00601	0.8
59.01373	1.0
69.03426	0.5
71.80963	0.5
84.02156	2.8
98.73024	0.5
99.08158	2.4
102.29297	0.5
113.09720	3.8
115.39626	0.5
125.09663	5.1
126.06573	0.5
127.11275	1.3
129.09201	2.5
137.09654	3.8
143.10774	0.6
155.10793	3.6
167.10768	0.8
169.12283	1.0
171.10240	17.7
181.12300	0.8
183.10252	3.7
185.11774	7.4
197.11824	11.8
199.13438	1.0
201.11343	5.5
209.11848	2.8
210.14659	0.6
213.11340	0.7
215.12851	1.2
227.12810	0.8
247.13322	1.1
283.17068	5.7
291.19699	1.3
297.11288	0.7
309.20715	2.9
312.13544	0.8
327.16174	8.8
327.21753	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
59.01360	0.5
66.93745	0.4
71.09207	0.4
80.02675	0.6
80.25465	0.5
81.03447	0.9
83.05020	6.3
84.02134	3.0
95.04966	0.6
99.08138	0.7
111.08066	0.6
112.85529	0.4
122.42072	0.4
125.09665	2.0
127.11269	1.0
129.09203	12.0
135.08148	0.6
137.09702	3.9
141.09213	5.1
153.12828	0.5
155.10770	10.0
163.11282	5.6
165.12822	4.9
171.10257	15.7
181.12283	1.6
185.11819	18.8
191.10692	1.1
192.34236	0.5
197.10059	0.9
197.11819	20.5
201.11327	2.1
209.11826	100.0
209.54707	0.5
227.12866	13.2
227.14958	0.8
231.77322	0.5
247.20667	2.9
291.19589	7.7
309.20728	7.6
327.21768	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2172
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.15174	5.9
59.01364	14.2
71.01369	6.6
82.43709	7.8
83.01399	11.0
86.23430	7.9
97.06586	10.9
100.27387	7.3
125.09713	30.0
137.09695	59.3
155.10722	72.7
165.12836	12.7
167.10774	14.1
171.10205	71.8
184.75426	7.8
209.11737	57.9
247.20631	10.4
291.19653	75.2
299.09241	12.7
305.17755	8.1
309.20532	51.5
327.08722	100.0
327.15479	22.2
327.18655	35.3
327.21869	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	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.80621	0.7
59.01375	72.1
63.29581	0.8
69.95549	0.8
72.72475	0.8
78.24561	0.9
87.65096	0.7
141.18536	0.9
156.70784	1.0
219.06738	0.9
237.45976	1.0
327.29025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
64.60732	1.3
74.04676	1.5
75.24834	1.2
88.04034	5.6
99.92569	19.5
100.90459	9.7
100.93385	5.9
103.33318	1.5
103.50395	1.4
104.74017	1.3
115.92043	8.8
116.92853	36.4
223.58676	1.5
227.20129	3.0
281.28134	1.9
283.10727	3.5
299.25894	1.6
309.28186	2.1
327.09576	3.6
327.12808	34.3
327.29083	100.0
344.74103	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	327.2905
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
59.99917	0.9
60.09355	0.9
61.92570	1.1
185.09978	1.2
258.01898	1.1
262.79312	1.1
281.28497	88.4
309.28073	1.8
327.29022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99605	18.0
68.53381	1.4
73.98299	9.1
74.99088	35.5
75.00868	4.6
75.61153	1.1
89.48833	1.2
110.28783	1.1
134.04729	10.0
135.05125	1.6
138.03215	2.6
151.04100	4.0
152.45067	1.0
153.05544	13.7
164.03455	2.1
165.04311	5.9
176.03493	6.1
177.04300	1.6
178.05090	30.8
180.06665	14.0
181.05034	1.6
182.00323	1.9
190.05064	1.7
191.05850	17.1
192.06650	31.7
193.07423	53.4
193.09113	2.1
197.02861	4.5
197.41527	1.2
202.05119	12.4
205.07394	2.0
206.08212	33.3
208.09804	18.8
208.11581	1.9
211.04315	5.8
217.07439	21.4
220.09698	2.7
223.04636	1.6
224.09288	1.7
225.06432	7.4
226.03012	1.1
232.09708	15.3
241.02985	2.5
241.05382	40.5
241.07787	1.8
245.04337	1.3
250.10896	16.9
252.08585	1.9
266.08502	2.4
284.09598	55.0
321.53680	1.3
328.08582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2857
Annotation	Palmitoyl Serinol
Peak:m/z	Relative Intensity
54.78667	1.4
60.86603	1.5
70.02969	47.7
70.40657	1.5
71.45161	1.5
83.02522	1.7
86.02468	2.6
125.81613	1.7
206.31116	1.6
233.28351	1.7
239.23877	16.9
261.00052	1.6
280.26508	14.7
296.25809	2.2
300.29010	3.3
328.28638	100.0
342.27774	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	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45219	0.6
54.20714	0.7
107.37531	0.8
142.65274	0.8
143.07182	0.9
161.02399	1.4
227.03439	3.6
271.02454	11.5
299.01935	100.0
313.03540	1.8
314.04306	43.7
329.03320	3.3
329.06628	84.5
329.23322	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	329.0669
Annotation	Morelosin
Peak:m/z	Relative Intensity
50.97915	1.1
56.66416	0.8
59.01384	13.9
63.49982	1.0
66.63546	1.2
82.71198	1.0
85.38969	1.1
102.76186	1.3
103.42581	1.2
135.04491	2.3
145.08817	1.4
167.03502	6.4
209.04553	7.9
234.72182	1.2
236.51094	1.5
239.05658	1.4
255.58005	1.2
264.18451	1.3
267.54333	1.2
269.06689	2.6
271.02530	15.7
299.01984	100.0
299.12949	4.8
313.03519	5.5
314.00549	1.8
314.04324	54.4
329.06680	98.4
329.19836	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	329.0875
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01374	44.2
63.08094	0.7
68.46500	0.6
71.01367	20.0
85.02941	2.9
89.02425	28.0
91.51096	0.7
101.02438	15.9
108.02144	1.2
113.02412	7.1
119.03457	6.6
123.04489	7.4
150.03226	1.2
151.00360	3.5
152.01118	3.9
155.40822	0.7
164.04778	1.2
166.01465	0.8
166.02718	5.9
167.03471	37.6
179.07112	2.9
181.04996	7.3
190.05095	3.3
194.02138	1.1
209.04544	19.6
215.20712	0.8
239.05562	1.6
258.97818	0.8
269.06616	4.4
329.08746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01383	1.1
61.77551	0.7
66.15720	0.6
68.97299	0.6
71.01364	1.5
74.39099	0.6
74.66565	0.5
89.02425	0.9
92.18372	1.4
101.02455	1.0
108.02165	31.1
116.93399	0.7
121.22747	0.7
123.04507	31.8
123.05388	1.3
137.69704	0.7
146.11693	0.7
149.06026	0.9
152.01141	33.1
167.03488	100.0
329.08743	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	329.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	6.1
68.22761	1.0
90.05078	1.0
108.95373	1.0
136.01637	7.3
149.02417	26.0
150.03204	27.3
151.03979	10.7
164.04773	40.9
165.05534	1.4
171.10275	4.5
178.02669	16.2
179.03535	1.2
182.02171	8.5
191.03506	10.3
191.93115	1.0
192.04266	8.9
193.05051	19.7
196.03769	26.5
240.07860	1.2
241.05159	4.3
253.04990	8.3
255.06671	1.2
265.05032	6.7
266.05862	2.0
268.07370	4.9
269.04507	20.2
269.07172	8.2
270.05380	4.1
271.02383	1.4
280.07394	2.5
281.04538	25.9
284.06918	18.4
285.07639	18.5
286.04340	4.0
295.06274	1.6
296.06827	11.8
299.02045	10.7
299.05756	1.6
299.09219	23.1
311.09222	24.7
314.04160	6.8
329.06555	12.0
329.10269	100.0
329.23163	8.7
347.73749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1398
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
59.01378	4.5
63.60765	0.6
67.17399	0.6
71.15204	0.6
92.18933	1.0
121.02975	4.7
122.03728	4.2
123.00854	0.7
123.04538	1.8
124.01629	0.8
125.02431	5.3
136.05286	1.3
136.91704	0.8
137.02469	1.0
143.04980	0.8
147.04526	1.7
149.02444	0.8
150.03230	3.8
158.03706	3.9
159.04538	15.8
160.05298	57.1
161.06053	13.1
163.04007	3.7
164.04782	4.7
167.03476	1.5
173.06065	7.1
174.06854	3.2
175.07642	40.8
177.05621	7.0
178.06328	20.2
192.07939	6.6
193.08684	1.7
209.04588	1.7
271.02380	1.4
299.01620	0.8
314.04346	1.6
314.11826	1.1
329.06650	4.8
329.13962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09049	0.3
56.58496	0.3
59.01370	1.5
62.33297	0.3
63.89620	0.4
72.12255	0.3
77.97903	0.4
83.05026	0.8
93.93489	0.4
101.77258	0.4
104.80827	0.3
108.59637	0.3
109.06566	3.5
123.08144	3.8
127.11255	0.6
133.10211	0.6
139.11256	0.6
149.06049	0.5
151.07605	3.0
152.62535	0.4
153.09209	1.5
165.09189	1.7
171.10252	2.4
201.11278	4.5
211.13350	0.7
220.14676	0.6
221.15535	2.4
229.14384	0.5
236.10510	3.0
243.17545	0.8
247.01176	0.5
267.17581	0.7
269.15442	2.1
270.16226	5.8
285.18622	8.6
293.17703	1.7
311.22360	2.6
317.17694	0.4
329.17551	100.0
329.23340	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	329.1762
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.03424	0.4
53.03886	0.4
59.01382	0.8
79.65174	0.5
94.45125	0.4
97.06617	0.9
141.43777	0.4
159.08089	0.5
182.76530	0.4
183.14053	0.7
185.09746	0.9
187.11288	13.2
210.67960	0.5
211.13446	2.6
233.15384	4.2
242.13200	4.8
267.17581	0.6
271.02560	0.9
283.17130	2.2
285.18616	79.0
299.02084	4.0
311.22195	0.8
314.04300	1.8
329.07162	5.1
329.17609	100.0
329.23257	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	329.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18950	0.5
59.01380	1.1
62.85948	0.4
66.57646	0.5
79.63708	0.5
115.46825	0.5
124.43398	0.5
125.09721	1.0
127.11293	3.5
139.11273	3.4
152.57022	0.5
155.10782	0.6
157.12263	0.6
165.09157	0.6
171.10292	12.3
185.11861	2.0
194.43071	0.6
197.11852	0.7
199.13293	0.6
201.11343	12.7
211.13405	2.7
221.01894	0.5
249.15068	0.7
262.20514	0.5
285.18628	18.7
293.21219	2.9
296.14142	0.5
299.01971	0.6
311.22263	2.2
329.17590	100.0
329.23352	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1758
Annotation	Carnosol
Peak:m/z	Relative Intensity
54.44350	0.3
59.01370	1.4
92.19048	0.6
99.08133	0.5
109.06615	0.4
125.09700	2.9
139.11276	0.6
155.14558	0.3
156.89392	0.4
165.66502	0.4
171.10243	2.5
187.09755	2.4
201.02390	0.5
211.13406	2.0
214.51094	0.4
229.14447	1.8
241.16103	0.8
251.89287	0.4
257.15417	1.3
267.17493	0.7
267.56467	0.5
269.15509	3.8
270.16211	0.7
285.18610	9.3
292.59662	0.4
302.15271	0.5
311.22229	0.7
322.94553	0.4
329.17581	100.0
329.23260	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	329.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.4
59.01373	4.8
67.05407	1.0
84.11037	0.9
88.50735	1.0
92.18346	1.4
97.06583	6.5
99.08167	1.1
111.08181	8.8
123.08149	1.6
125.09707	100.0
127.11323	1.4
135.52170	1.1
139.11246	1.2
141.09164	1.5
159.10268	29.0
171.10181	7.8
173.11827	2.3
187.09740	30.2
197.11749	1.3
201.12874	9.4
205.71877	1.1
211.13400	4.6
227.14421	5.1
229.14330	1.9
249.22157	2.0
267.17307	4.4
267.19705	5.6
285.18597	10.4
293.21298	5.1
311.18625	5.1
311.22211	10.2
329.06738	1.8
329.19620	81.4
329.23404	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	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
50.43591	10.4
53.37337	7.8
59.01374	9.0
68.11780	10.6
75.00843	15.6
126.31932	9.6
168.94861	13.0
301.23901	100.0
329.23254	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	329.233
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
56.53362	0.4
57.37599	0.3
59.29447	0.3
70.97153	0.4
71.74035	0.4
99.08129	4.7
125.09698	0.9
127.11266	3.6
129.09242	0.6
132.73944	0.4
139.11258	4.3
143.60742	0.5
155.10748	0.6
155.14441	0.5
157.12279	0.7
167.14360	1.0
171.10228	15.2
183.13873	5.8
193.12286	1.8
209.01233	0.4
209.11751	0.9
211.13376	33.2
229.14397	18.3
261.71851	0.4
293.21170	0.7
329.23309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
52.64207	0.3
58.00599	0.6
59.01385	4.0
63.01426	0.3
72.07803	0.3
75.23973	0.4
83.29948	0.3
92.18971	0.4
95.15354	0.4
99.08147	4.8
99.31157	0.3
113.09694	0.5
127.07602	0.4
129.09210	6.5
155.14363	0.4
167.10808	0.5
169.12352	7.9
171.10277	0.4
181.12328	5.2
183.13893	1.8
193.12375	2.6
197.11858	2.7
199.13423	21.4
201.11363	0.5
211.13409	14.2
225.20380	0.4
227.13017	2.5
229.14479	1.5
275.20175	0.8
275.70148	0.4
293.21280	2.3
299.16623	0.4
311.22375	2.7
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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.36945	0.4
58.00607	0.6
59.01377	2.6
59.56013	0.5
65.52882	0.5
85.77007	0.5
88.31763	0.4
93.71799	0.7
99.08157	2.8
113.09723	0.5
120.72108	0.5
127.11285	3.3
129.09195	5.3
139.11314	4.1
142.61482	0.5
155.10780	1.0
157.12370	0.6
157.18172	0.5
163.95103	0.5
169.12373	4.7
171.10262	16.9
174.25504	0.5
181.12350	3.4
183.13901	1.3
185.11800	0.8
187.57323	0.6
193.12270	1.9
197.11877	1.1
199.13429	12.4
201.11340	13.8
211.13406	12.2
229.14459	0.6
249.14983	10.8
275.20132	2.1
285.18701	4.0
293.21164	3.0
311.22272	2.7
314.15430	0.7
329.10626	3.4
329.17615	21.2
329.23349	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	329.2697
Annotation	2-Palmitoylglycerol
Peak:m/z	Relative Intensity
59.01382	2.6
66.53886	1.4
71.01378	62.0
71.38395	1.6
71.56380	1.5
75.50665	1.6
87.00869	12.4
89.02434	8.6
104.17987	2.1
106.66205	1.6
151.09755	1.5
190.68732	1.9
329.23474	6.5
329.26981	100.0
333.71796	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	329.2696
Annotation	CHEBI:79291
Peak:m/z	Relative Intensity
50.73528	1.4
53.09700	1.4
53.73050	1.3
53.99874	1.3
54.79478	1.5
55.72755	1.3
56.41486	1.2
57.10326	1.4
61.88398	1.3
63.84208	1.3
66.80763	1.4
71.01364	2.1
72.64775	1.4
93.34206	1.5
99.12378	1.7
171.10266	2.8
171.64442	1.6
178.34283	1.6
211.13275	1.8
253.25311	18.1
260.42740	1.8
283.26389	14.7
329.23361	10.9
329.26929	100.0
329.30798	3.9
338.47974	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	330.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44163	1.3
59.01399	1.8
67.54916	1.2
99.08142	2.0
111.20978	1.2
129.09222	2.6
130.09497	2.4
170.12639	2.2
181.12311	2.3
182.12666	2.2
199.13416	9.4
200.13797	16.8
200.59749	1.4
201.11327	2.1
202.11714	1.8
211.13531	2.2
212.13757	3.3
221.52245	1.3
230.14746	2.2
256.06433	2.2
294.21588	3.0
312.22607	1.9
330.17984	21.5
330.23669	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	331.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95199	0.6
59.01377	22.7
59.01654	1.6
63.96228	1.5
66.80833	0.7
70.16344	0.8
71.01375	10.0
72.97517	1.3
73.02945	4.4
78.95901	3.7
78.98584	9.6
83.01337	0.9
85.02927	4.8
99.95941	0.7
101.02418	6.4
107.05063	0.8
108.02151	100.0
109.02934	21.7
113.02403	5.9
121.02951	1.1
123.04503	4.4
125.02431	4.8
127.30927	0.8
151.00371	4.4
151.03990	8.2
153.01910	1.3
159.02957	1.7
161.04536	23.5
163.03981	4.6
168.00609	1.0
169.01376	4.7
271.08212	36.9
331.06757	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	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01379	5.2
62.95176	0.6
65.20696	0.6
71.01363	1.2
71.86270	0.6
78.00494	0.7
84.00927	0.8
85.02938	2.8
85.41182	0.7
85.41670	0.7
101.02449	0.9
113.02438	3.9
117.41795	0.6
125.02435	2.7
129.92351	3.0
137.99533	1.1
139.00441	0.9
151.00352	0.9
151.03998	0.8
152.01155	3.0
153.01924	100.0
154.02673	2.9
155.03523	2.9
161.04538	1.2
166.02695	0.7
167.03482	11.2
168.04266	62.7
169.01378	0.9
169.05089	9.9
179.03485	0.9
193.46410	0.7
209.04608	1.1
271.01456	1.5
331.06549	1.5
331.10364	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	331.1552
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
58.82486	0.3
59.01374	0.5
61.41891	0.3
65.82071	0.4
81.03447	1.6
97.06584	0.6
103.47541	0.4
107.05025	3.0
109.06580	8.7
113.06094	0.7
120.05801	2.2
121.06572	7.5
123.08145	1.4
133.06577	2.5
135.04453	0.6
135.08150	4.3
136.05298	0.7
147.08182	0.4
149.06145	0.5
149.09599	0.4
151.07607	4.4
153.08066	0.6
153.09213	11.0
163.07626	0.6
165.05537	0.5
165.09311	0.5
173.09689	1.9
187.11252	0.6
215.14528	0.5
225.16521	0.6
227.14401	1.8
239.10780	0.4
241.12407	0.7
241.15953	2.3
243.10298	0.4
243.13852	0.8
245.15469	2.1
254.13127	12.6
259.17001	10.9
269.15497	17.2
269.18970	1.7
271.13751	0.4
271.17087	0.6
272.14145	6.8
283.38925	0.4
287.16562	52.9
301.17935	0.6
313.18005	0.5
331.15475	100.0
331.19159	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
71.01385	6.9
72.02174	4.1
73.02946	17.8
80.14596	0.3
97.06580	1.2
173.13414	0.3
199.87236	0.3
225.16534	5.8
251.18292	0.3
253.16083	0.4
254.16747	2.5
263.06454	0.3
269.19147	3.9
271.16965	0.6
285.18677	0.5
287.17447	0.3
287.20215	12.5
331.19196	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	331.1913
Annotation	Cespihypotin V
Peak:m/z	Relative Intensity
59.01381	4.4
59.36207	0.4
60.99291	0.6
66.63653	0.4
73.50512	0.4
74.77549	0.5
88.67770	0.4
96.16011	0.4
100.61168	0.4
129.05548	0.7
161.09685	2.8
188.48518	0.5
201.12860	2.6
231.17574	5.5
232.17001	0.5
253.15985	5.0
255.58601	0.5
257.15463	1.1
269.19086	73.9
271.17081	2.0
285.18491	0.9
287.20053	4.5
304.05197	0.5
313.18103	2.5
331.19125	100.0
331.24683	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	331.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56702	0.2
55.27135	0.3
71.01379	4.8
71.83936	0.3
72.02127	3.1
73.02552	0.6
73.02937	12.8
83.63856	0.3
92.18575	1.6
101.06047	0.3
115.07578	0.4
134.34735	0.3
134.63406	0.3
142.60559	0.4
151.16763	0.3
153.09207	1.8
224.12155	0.4
225.16422	4.1
238.13368	0.3
254.16765	1.9
257.19232	2.3
264.48636	0.3
269.19092	4.2
271.16971	0.7
285.18561	0.6
287.20108	6.1
291.63419	0.3
331.19125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1912
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
59.01391	0.4
61.87424	0.4
66.85139	0.4
69.44604	0.4
71.01385	0.6
73.02934	1.9
77.15673	0.3
77.49089	0.4
90.87643	0.4
101.06071	0.9
104.99001	0.4
107.05021	0.9
109.06567	2.2
113.06093	0.8
121.06574	2.2
133.06567	0.7
135.08148	0.7
151.07608	2.2
153.09190	5.9
215.14331	0.5
225.16510	2.4
238.13626	2.4
241.15804	0.8
251.18054	0.6
253.15897	2.0
254.13068	3.0
254.16682	2.1
259.17041	2.8
269.15543	4.6
269.19009	5.7
271.16956	5.4
272.14172	2.0
278.29907	0.5
285.18552	1.7
287.16498	15.4
287.20078	3.7
301.18045	3.7
331.15408	28.9
331.19116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
59.01374	0.8
66.95273	0.3
71.01376	0.8
72.02157	0.8
73.02940	3.0
77.37859	0.3
79.58648	0.4
80.02662	2.1
85.06567	0.6
95.05005	0.5
98.87336	0.4
101.75980	0.4
106.67751	0.3
112.58311	0.4
135.08160	0.5
137.09692	1.6
149.09694	0.4
215.14331	0.3
225.16458	0.7
238.13690	1.6
253.15965	1.6
254.16727	6.8
269.19095	11.6
271.17139	2.0
285.18579	2.3
287.20187	6.2
295.16907	0.8
298.15805	2.7
301.17990	0.7
313.18106	10.8
331.19144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82903	0.2
53.04707	0.3
54.49182	0.3
59.01382	0.6
60.02362	0.3
61.37923	0.3
71.01381	0.4
73.02938	1.5
93.01960	0.3
97.05466	0.3
101.06077	1.5
201.12791	0.4
214.27539	0.3
217.15906	2.7
225.16470	3.1
238.13597	3.0
243.17487	0.5
251.18236	1.0
252.15143	0.6
253.15994	4.0
254.16820	2.1
267.17514	0.4
269.19122	3.3
271.17050	18.6
285.18570	0.6
287.20175	13.1
295.17236	0.3
298.08951	0.3
301.18011	0.6
313.17960	0.5
331.19168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68674	53.6
52.97692	50.4
57.68783	45.3
57.98984	48.8
60.40401	45.4
72.29453	58.6
117.25589	59.6
121.89854	63.3
162.76193	55.2
275.60144	67.9
331.19516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2488
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.76505	0.9
55.01877	1.0
56.33161	1.3
64.15321	1.1
66.22479	1.2
67.03008	1.1
92.74753	1.0
108.02139	1.4
110.70771	1.1
118.13463	1.1
119.10962	1.1
125.09703	5.1
127.11278	6.1
128.55032	1.1
139.11261	5.5
141.12845	49.7
143.10732	1.2
153.09158	1.0
153.60667	1.1
171.10255	83.6
176.89783	1.1
257.06696	1.2
295.22766	4.9
298.24561	1.6
313.23840	100.0
314.24161	6.5
331.27423	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2494
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
51.37810	0.2
51.75428	0.2
58.00592	0.3
58.93026	0.1
64.89292	0.2
65.97592	0.2
66.87749	0.2
68.43670	0.2
81.36079	0.2
102.16053	0.2
125.09709	0.7
127.11285	3.3
143.10786	0.8
153.09230	0.2
155.10815	1.5
157.12311	2.8
171.10306	2.1
187.13278	1.3
201.11354	1.6
254.13228	0.2
267.23450	0.2
267.79639	0.2
285.24356	0.3
295.22870	2.2
311.22418	0.8
313.18243	0.4
313.23904	8.9
329.23419	5.3
331.19464	3.0
331.24939	100.0
332.59665	0.2
342.49014	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	331.2494
Annotation	9,10,20-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
51.31621	0.4
53.09174	0.3
53.32646	0.3
56.34024	0.3
59.01385	67.0
86.02979	0.3
89.74964	0.4
99.08169	0.6
109.06571	2.9
125.09725	2.1
129.09221	1.5
141.12856	8.2
170.13170	0.4
171.13922	3.9
221.19160	0.4
223.20792	0.8
233.19099	3.4
235.20792	0.6
251.20157	6.1
267.23285	3.1
269.19000	0.7
271.22787	4.3
301.17932	0.4
313.18024	0.5
313.23828	1.4
331.19263	11.8
331.24939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0596
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
51.46955	0.2
51.94305	0.2
54.35411	0.3
59.01375	0.3
61.83129	0.2
78.95899	30.2
79.10804	0.2
96.96952	7.3
115.46643	0.2
122.44798	0.3
150.98077	0.3
152.99582	77.6
171.00638	8.9
201.02571	0.3
206.91669	0.3
223.00221	0.3
241.01196	43.8
242.38605	0.3
250.25644	0.3
259.02246	3.6
333.05945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0617
Annotation	Jaboticabin
Peak:m/z	Relative Intensity
52.79937	0.4
59.01370	3.0
59.11948	0.4
63.02401	0.5
63.91249	0.5
65.00323	0.8
71.05034	0.5
80.97929	0.5
83.01385	0.5
87.04493	0.5
107.01366	2.0
112.41591	0.4
125.02418	0.7
151.00333	8.0
159.76009	0.5
161.09775	0.6
166.02596	0.5
168.54120	0.6
169.02983	0.7
174.18710	0.5
181.05151	0.7
197.02451	0.9
201.01964	3.3
214.02776	6.8
225.01967	2.0
229.01498	0.6
229.05051	1.1
230.02267	1.0
233.04544	2.6
241.01572	0.7
242.02173	6.9
245.19087	2.1
257.04523	0.8
258.01584	1.7
269.01001	3.5
271.17078	0.6
271.20590	0.9
274.01019	0.9
286.01187	49.9
289.18076	6.2
289.21469	1.0
297.18771	0.8
301.03513	15.3
303.19681	4.5
315.19635	3.6
331.19513	0.5
333.06177	100.0
333.17020	17.6
333.20740	57.7
333.24930	1.1
349.33374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0884
Annotation	Daibucarboline B
Peak:m/z	Relative Intensity
51.75236	0.5
56.04193	0.6
74.69800	0.6
81.64516	0.6
83.03000	0.6
93.03455	0.7
94.15702	0.7
107.21941	0.6
118.83681	0.6
164.64433	0.6
168.04561	0.8
176.82925	0.6
183.03242	1.0
197.04803	0.7
234.09239	0.7
247.06352	1.4
248.07217	4.0
249.07964	3.5
250.08769	3.0
261.03940	1.0
262.08768	5.2
274.01190	15.7
290.08279	4.5
305.09286	1.4
333.08850	100.0
333.17175	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	333.0981
Annotation	Mesquitol-4beta-ol 3,8-dimethyl ether
Peak:m/z	Relative Intensity
51.77643	1.7
59.01383	13.7
71.01368	3.6
71.05009	3.7
71.25626	1.8
72.08626	2.1
89.02453	4.7
95.01377	1.8
101.02434	3.4
123.00861	15.3
124.01637	83.0
124.03055	2.1
138.03294	9.0
139.04001	93.2
139.07355	1.7
148.01659	3.2
150.03201	43.5
153.05565	2.9
153.09251	2.1
159.02545	1.8
163.03993	14.3
165.05557	42.9
212.08354	1.9
227.11972	2.8
261.04108	2.3
274.01154	36.3
289.03412	2.6
290.07990	3.1
291.19659	3.6
333.02945	3.2
333.09634	100.0
333.16754	12.9
333.20807	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	333.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64381	1.3
52.66669	1.1
59.01367	2.4
62.37528	1.3
71.01369	10.9
71.05008	6.9
76.81018	1.2
78.26242	1.2
88.04024	22.1
91.00568	1.3
97.90257	1.5
99.04502	5.4
115.00324	15.1
116.07184	1.7
132.03011	16.0
142.05092	17.1
146.08214	75.1
148.71329	1.7
152.99545	1.6
159.07707	1.9
217.11890	21.1
218.10382	6.5
227.03732	1.7
260.08411	1.4
301.30753	1.6
333.06638	4.7
333.13049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1707
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
57.03454	0.9
59.01387	8.6
61.17644	0.6
71.05001	5.4
72.07828	0.6
74.83524	0.6
85.06596	1.0
87.27817	0.7
95.05009	1.6
97.02896	0.8
115.59310	0.8
123.08186	1.1
123.49924	0.7
133.06599	2.9
137.09711	1.0
140.55869	0.7
153.09221	0.9
171.10265	0.8
175.11272	4.6
217.12256	1.2
223.44771	0.7
247.17099	4.0
248.48129	0.7
256.14700	3.4
259.16998	2.9
271.17032	44.4
273.18631	3.1
274.15836	1.7
287.16495	1.2
289.18094	39.0
333.17096	100.0
333.20737	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	333.171
Annotation	Plagiochiline C
Peak:m/z	Relative Intensity
54.71754	0.6
56.16019	0.6
57.03457	7.1
58.00597	0.7
59.01384	51.5
65.26876	0.6
70.55651	0.6
71.05022	0.8
73.02953	0.6
78.55285	0.6
83.05012	2.8
87.04494	0.8
93.95025	0.6
97.06606	1.6
99.04522	3.0
107.05001	1.0
119.08677	1.2
135.88489	0.6
137.09727	0.9
151.11403	0.7
161.09695	10.0
168.16968	0.7
187.11220	0.8
187.14937	3.9
201.12859	3.0
211.14781	1.0
217.15987	7.3
229.15979	63.7
243.13982	1.2
243.17639	2.3
255.17612	0.9
257.19119	1.5
258.97375	0.9
261.14984	5.7
269.19095	1.4
271.17056	1.4
271.20810	2.3
273.14993	22.4
273.17920	1.3
285.18735	1.2
287.20175	9.7
289.18094	2.6
289.21741	5.9
291.16049	29.9
298.00223	0.7
303.19778	1.5
315.19745	1.4
333.17020	29.7
333.20734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1707
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
53.57251	0.3
59.01317	0.4
68.50598	0.3
71.01279	3.6
71.04940	0.4
72.02104	0.6
73.02850	12.2
73.03287	1.3
77.50363	0.3
81.03381	0.7
95.32657	0.3
99.04444	0.6
105.07023	0.4
107.04937	1.3
109.06504	0.7
114.75561	0.3
120.05711	0.7
121.06506	0.3
123.08089	1.0
133.06477	1.3
135.08028	1.4
137.09608	1.5
142.02438	0.3
153.09193	6.3
163.11195	1.5
173.09645	0.7
175.11156	0.5
181.18361	0.4
189.12894	3.9
215.14503	2.2
217.15916	0.7
241.12401	0.4
243.17271	0.3
245.15489	0.5
248.07939	0.3
253.15883	0.4
254.13104	0.6
256.14606	4.4
257.19104	0.5
259.16968	6.8
261.18683	1.2
268.90863	0.4
269.15442	1.7
271.17029	19.9
273.14847	0.4
287.20123	1.6
289.18091	75.5
312.07248	0.3
333.17111	100.0
333.20773	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	333.171
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
54.49892	0.9
57.03458	7.0
57.03684	0.8
59.01379	2.2
59.34462	0.8
59.72041	0.9
71.05019	1.2
73.35454	0.9
83.05019	1.8
87.04531	2.2
91.36107	1.1
121.06647	0.9
122.08373	1.0
134.49820	1.1
137.09668	1.4
149.06137	1.0
159.38635	1.0
161.09727	4.3
162.06923	1.1
163.07603	1.1
163.11284	1.6
175.11211	1.4
176.23776	1.1
210.15533	1.0
217.16037	1.2
219.13956	1.2
229.15977	8.0
231.13860	33.6
245.11870	1.3
245.19099	11.3
261.18616	1.6
271.17111	6.2
271.20633	2.0
273.14899	1.3
289.15100	1.5
289.18103	23.8
289.21704	6.5
301.18106	7.4
303.19672	9.7
305.17450	1.6
315.19769	1.2
327.40640	1.1
333.17029	100.0
333.20752	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	333.1708
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
56.15905	0.4
57.03454	0.6
59.01378	42.1
59.47508	0.4
62.48748	0.5
68.55276	0.4
69.15413	0.5
87.00864	83.0
88.92782	0.4
113.02359	0.5
165.48438	0.6
173.13289	0.5
174.92723	0.5
176.16725	0.5
206.33643	0.5
213.12874	0.7
219.17513	0.8
229.16063	0.6
237.12885	0.7
245.15463	6.4
255.13901	2.5
271.17029	6.2
273.15054	0.8
287.19974	0.6
289.18268	1.0
289.21759	1.1
315.16010	3.4
315.19250	1.4
333.17041	100.0
333.20758	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	333.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35635	2.5
58.97516	2.7
59.01375	16.2
68.63239	2.4
79.85198	2.6
92.18990	3.2
109.03992	3.0
111.87666	2.5
134.27219	2.7
211.34149	2.9
251.20137	100.0
268.63495	2.8
274.61130	2.6
333.20468	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	333.2071
Annotation	PGB2
Peak:m/z	Relative Intensity
57.91939	0.2
78.59692	0.2
82.23381	0.3
83.05025	1.2
105.02906	0.3
106.49638	0.3
130.46733	0.3
163.11285	1.5
207.13918	3.4
229.15968	0.5
231.17554	0.3
237.16420	0.4
253.15926	2.7
253.19681	1.0
255.17477	1.1
269.19113	5.6
271.17407	0.6
271.20660	9.4
273.18576	5.7
278.72321	0.3
285.18585	3.6
287.20163	12.9
289.21710	7.0
315.19684	2.2
333.20721	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	333.2072
Annotation	PGB2
Peak:m/z	Relative Intensity
57.03441	0.3
59.01379	0.4
68.92641	0.3
82.32397	0.2
87.04511	9.0
92.18507	0.4
113.06065	0.5
129.82150	0.2
137.09686	1.4
201.12811	4.2
207.83551	0.3
219.13911	1.1
225.16486	0.6
237.16565	0.4
238.13553	1.0
240.15234	1.6
245.19128	3.3
253.16017	1.0
253.19603	6.5
255.17558	8.9
268.14621	0.5
269.15527	1.6
271.17047	6.5
271.20535	0.5
289.18155	15.2
289.21594	2.4
303.19675	0.6
315.15866	0.3
315.19467	0.6
333.17059	12.9
333.20700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2069
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
50.93347	0.2
57.03437	0.2
57.23245	0.3
58.00601	0.6
59.01374	1.2
61.89564	0.2
66.38351	0.3
71.01373	2.0
71.05016	0.3
72.02161	0.4
72.72864	0.3
73.02937	7.3
81.03436	0.3
83.05014	0.4
97.06543	0.3
99.04526	0.4
107.05020	1.1
109.06585	0.6
119.08626	0.3
120.05788	0.4
121.06580	1.4
123.08144	1.4
125.09672	0.4
133.06604	1.3
135.08168	1.5
137.09686	1.4
153.09187	4.7
163.11298	0.6
165.09241	0.3
173.09740	0.4
189.12878	2.4
215.14374	1.7
217.15981	0.6
229.15924	0.4
241.12437	0.4
241.15735	0.3
243.17432	0.3
245.15269	0.3
253.15977	0.5
253.19576	1.1
255.17575	0.9
256.14713	1.8
257.19135	2.8
259.16986	5.7
261.18512	0.4
269.15417	1.5
269.19028	1.1
271.17035	12.3
271.20465	0.5
273.14917	0.5
285.18716	0.5
287.16937	0.7
287.20148	7.2
289.18127	43.9
289.21555	4.4
307.18997	0.4
333.17007	60.8
333.20718	100.0
357.36789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2069
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
54.19889	0.4
57.03463	0.4
59.01370	2.2
67.64839	0.4
71.01392	0.4
73.02938	0.4
73.58003	0.4
87.49435	0.4
97.06584	0.6
122.03655	0.5
161.93858	0.4
173.13303	0.5
175.11243	0.5
201.12785	0.6
202.94080	0.5
203.14313	0.5
225.16461	1.7
226.67836	0.6
238.13657	2.4
240.15234	4.2
242.13120	0.6
245.19249	0.7
247.16931	3.1
251.14352	0.6
253.15962	2.6
254.12949	0.6
255.17532	17.3
259.20654	2.4
268.14679	0.9
269.15506	6.1
287.20056	0.6
289.17917	3.6
289.21710	5.6
292.97260	0.5
315.15826	11.0
315.19394	1.5
333.16882	12.5
333.20651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93440	48.7
61.20811	43.3
69.77582	61.0
82.26701	49.4
92.07733	51.7
115.29483	52.9
127.51952	51.4
297.24344	94.9
333.17010	73.9
333.21021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35371	1.6
53.41638	1.4
57.03449	1.8
59.01378	22.4
59.48557	1.7
62.82298	1.6
70.07836	1.9
71.01375	12.9
72.99295	2.2
75.00864	12.1
78.95898	1.7
82.97497	1.5
85.02935	100.0
87.00867	4.3
89.02444	4.8
94.17819	2.0
94.80135	1.9
95.01349	7.5
99.00886	11.3
101.02415	2.3
113.02419	18.8
119.05363	4.5
120.14341	2.0
128.03548	10.1
137.02432	3.4
249.06190	19.4
299.07761	2.4
317.08777	2.6
335.09842	95.9
335.13333	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	335.1042
Annotation	Daurioxoisoporphine B
Peak:m/z	Relative Intensity
51.54924	0.8
59.01376	5.5
70.44771	0.9
71.05031	4.7
83.05023	1.3
97.06599	1.3
104.43125	1.1
119.05018	20.2
120.99644	2.1
145.02946	12.2
147.03250	22.9
159.03227	7.2
160.04042	35.4
162.05592	16.7
172.04050	15.6
173.04855	1.8
188.07333	1.6
189.06705	73.2
195.13905	8.2
215.04601	4.2
243.17496	1.7
245.15373	1.4
247.16957	4.2
273.18622	2.1
291.16455	2.9
291.19632	32.8
305.17645	4.3
317.17545	1.5
317.20932	1.4
320.19913	1.6
335.10385	100.0
335.14923	13.0
335.18625	70.7
335.22357	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	335.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
62.60286	1.8
70.10918	2.5
71.95198	2.1
76.58807	2.3
79.49111	2.1
81.73867	2.1
83.01395	4.8
92.67464	2.3
101.02429	2.2
103.74908	2.5
108.02174	3.8
121.02973	8.3
122.03757	2.3
123.00873	95.7
123.04409	3.1
133.02986	3.5
136.01686	22.9
136.97064	2.4
138.03224	80.3
144.53389	2.6
149.02405	16.9
150.02077	4.5
150.03212	85.1
151.04007	41.2
164.04781	13.8
165.05553	100.0
178.02692	3.0
180.04271	8.8
195.06635	54.2
257.04556	5.2
259.06192	3.0
272.06842	10.4
287.09256	49.0
292.68005	2.5
335.07925	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	335.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57376	1.9
59.01383	55.5
71.01370	21.4
72.69328	1.7
72.99280	2.1
73.02955	1.8
85.02941	12.5
87.04559	2.3
88.11021	1.8
89.02435	37.4
90.59618	1.7
101.02417	21.5
113.02401	18.0
119.03505	10.0
147.67282	2.4
155.07123	3.8
173.08218	4.3
216.81856	2.0
291.11035	3.4
335.09775	10.7
335.13504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1507
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
53.46535	0.3
53.52754	0.3
54.90688	0.3
55.57040	0.4
57.03452	3.6
59.01379	0.5
60.60786	0.3
69.03477	0.4
71.05019	6.6
73.02957	0.7
80.97498	0.4
83.05048	0.9
84.97189	0.3
87.04498	3.4
95.53745	0.4
97.02959	1.7
97.33601	0.4
107.05030	4.4
119.82095	0.4
121.06592	1.9
123.04533	0.8
123.08130	0.8
124.05309	0.6
125.06088	2.1
135.08206	1.6
136.05330	0.6
137.09756	1.4
145.06613	5.2
147.08112	0.8
151.07730	0.5
151.11336	1.6
161.09749	3.2
163.07631	0.5
164.08508	0.6
165.09238	2.7
175.11258	1.7
175.14989	1.6
177.12854	2.0
179.10820	1.6
181.25726	0.4
189.05577	0.4
189.12868	15.6
191.14384	0.5
203.10823	5.4
203.14487	1.0
205.16093	0.8
217.16029	1.7
219.17529	3.3
229.16000	6.8
232.14658	2.1
247.09807	16.1
247.17055	47.2
256.76398	0.4
263.16537	0.9
273.18802	1.3
290.69540	0.4
291.16083	14.1
291.19678	4.2
309.17047	2.0
317.21271	0.5
326.10715	0.5
335.15060	100.0
335.18549	8.6
335.22113	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	335.1866
Annotation	Dihydrorubrosterone
Peak:m/z	Relative Intensity
51.07679	0.3
55.02408	0.4
59.01368	0.6
71.05001	3.1
72.38779	0.4
78.01007	0.4
83.05004	0.9
95.05023	0.6
97.06564	2.2
112.65498	0.4
133.06621	0.8
178.02750	0.6
193.05040	0.5
201.12805	2.7
207.51563	0.4
217.12291	0.9
247.17043	2.3
255.17459	2.9
271.17099	2.2
273.18597	9.9
275.16568	0.9
291.19647	100.0
299.49390	0.5
305.17560	3.6
309.15314	0.5
309.20700	2.9
317.17670	1.6
335.15158	3.5
335.18637	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1865
Annotation	Deisobutyryl bakkenolide H
Peak:m/z	Relative Intensity
54.27811	0.3
58.28918	0.3
59.01369	0.8
71.05010	0.7
71.31210	0.3
78.43153	0.3
81.03433	0.6
83.05017	0.5
90.12157	0.4
91.99609	0.4
97.06557	0.6
105.01085	0.4
107.05016	0.5
121.06605	2.9
123.08230	0.5
125.09721	0.9
133.06569	3.1
137.09711	0.5
142.34843	0.4
163.57114	0.4
173.09682	0.8
186.75853	0.4
189.12735	0.4
211.27036	0.4
217.12370	0.5
245.15433	0.4
255.17487	2.7
256.14651	3.9
257.15451	2.9
259.16949	0.6
261.18576	5.1
268.76599	0.4
271.17020	8.6
273.18597	40.9
278.46021	0.4
291.19653	45.3
317.17465	0.8
317.20840	0.5
335.18652	100.0
335.22223	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	335.1865
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
53.17493	0.4
57.03439	1.8
57.98295	0.4
60.57738	0.3
64.61407	0.3
73.02921	2.0
81.76717	0.4
87.04507	1.7
90.52874	0.4
92.19025	0.4
109.06603	0.6
115.91275	0.4
118.02699	0.5
124.51645	0.4
178.99890	0.5
206.21573	0.4
220.94727	0.5
229.19569	2.5
231.17429	0.6
245.19078	0.8
247.20705	9.8
255.17603	4.9
273.18619	9.9
286.04120	0.5
291.19681	31.8
291.23056	2.5
317.17575	29.6
317.20511	0.6
335.18573	80.7
335.22293	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	335.1865
Annotation	Deisobutyryl bakkenolide H
Peak:m/z	Relative Intensity
50.48946	0.8
57.03445	6.3
59.01374	2.6
66.22659	1.0
78.95913	1.4
81.34700	1.0
93.31281	1.1
95.05037	2.0
109.06610	1.5
111.08148	93.8
134.49133	1.0
137.06058	2.0
147.88861	1.2
155.07126	23.6
175.58925	1.1
179.10773	73.8
202.17123	1.0
273.18646	23.6
291.19684	45.8
291.22964	2.3
335.18613	100.0
335.22308	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	335.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.6
59.16115	0.3
61.98818	0.3
62.18590	0.3
63.10499	0.3
68.85360	0.3
79.64854	0.3
92.18491	0.3
112.61896	0.3
146.25397	0.3
182.75777	0.4
253.21724	100.0
335.22046	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	335.2231
Annotation	5,6-DiHETE
Peak:m/z	Relative Intensity
57.03435	0.6
59.74802	0.6
62.03231	0.6
62.70036	0.6
70.45129	0.7
71.05022	0.8
79.46291	0.8
80.12737	0.7
95.02960	0.6
96.95976	0.8
97.06559	0.9
101.27675	0.6
101.76512	0.7
110.22203	0.6
125.31665	0.6
127.95325	0.6
128.29164	0.7
128.63817	0.7
136.38559	0.6
137.09723	1.7
163.11423	0.8
167.10753	0.9
196.34238	0.8
221.15317	2.4
233.15544	1.3
235.17070	10.3
235.55763	0.8
257.15479	1.1
261.18756	1.2
273.18695	4.0
275.20151	1.7
288.01849	1.0
289.21689	5.6
291.19632	11.6
291.23312	4.1
317.17819	0.9
317.21368	3.0
335.06555	3.0
335.18573	24.9
335.22281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2235
Annotation	PGB1
Peak:m/z	Relative Intensity
53.57051	0.2
58.88791	0.2
59.01382	1.1
71.05022	0.2
76.15637	0.2
87.00893	0.3
88.45104	0.2
92.19003	0.3
97.06600	0.2
101.06112	0.9
111.08149	0.3
154.72156	0.2
174.04172	0.2
205.12404	0.3
207.43219	0.2
215.89595	0.2
244.95227	0.2
244.98170	0.2
255.17647	0.2
271.20773	0.3
273.18634	0.4
275.20142	1.9
287.20209	3.6
289.21805	4.7
291.19833	0.4
299.20236	2.4
300.17368	0.4
315.19751	7.0
317.21280	1.8
333.20996	0.3
335.22348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
55.49619	0.2
55.63043	0.2
59.01361	0.3
63.43390	0.3
73.43365	0.2
74.54738	0.3
78.78857	0.2
87.04504	0.4
96.77862	0.2
106.41750	0.3
131.32581	0.3
188.39096	0.3
216.75615	0.3
249.49928	0.3
253.19551	0.3
273.18719	0.9
291.19308	1.4
317.17331	0.4
335.18738	4.6
335.22256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06979	0.8
52.07237	0.6
59.01371	1.1
74.19698	0.7
78.50639	0.8
94.21449	0.8
94.25979	0.7
100.76002	0.8
126.78381	0.8
153.07625	0.9
170.11890	3.7
194.11850	4.4
281.24884	33.2
291.27902	1.3
293.24994	1.1
294.24350	5.3
308.25967	45.7
317.26022	5.8
326.80020	0.8
335.27167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
59.01372	13.1
65.62195	1.4
66.26157	1.3
67.01900	1.5
69.03456	1.8
71.01378	2.6
86.96986	1.3
87.00863	9.0
90.18034	1.6
93.03446	21.7
95.92225	1.4
111.00826	1.4
111.04517	2.6
119.04983	15.3
133.02939	2.9
136.01604	2.4
137.02357	5.3
145.03029	1.5
151.03978	2.3
155.03490	5.7
163.04005	18.4
173.04538	100.0
174.05539	1.6
175.06046	2.1
187.63724	1.5
190.82382	1.4
191.05588	11.0
204.04280	12.1
219.06638	12.4
249.07660	8.5
292.70355	1.7
293.10818	1.5
337.05615	4.9
337.09344	32.6
337.16522	1.8
342.73706	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	337.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08372	0.6
59.01381	3.4
67.16199	0.6
71.01349	0.8
72.99314	0.7
75.00880	1.4
76.87365	0.7
83.38339	0.7
84.73275	0.7
85.02942	3.7
87.00855	1.3
87.04514	10.9
88.28586	0.7
93.03441	1.2
107.53211	0.8
111.04513	1.8
113.02471	1.6
119.05018	59.9
124.98267	0.8
137.02405	1.2
147.18988	0.7
150.03275	0.7
151.04002	3.5
155.03491	2.7
163.04013	100.0
167.03514	1.1
173.04565	4.4
191.05630	40.2
197.17107	0.8
337.08777	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	337.1082
Annotation	Vismiaguianin A
Peak:m/z	Relative Intensity
51.57840	1.2
54.35641	1.4
57.03442	3.3
59.01373	8.1
61.24644	1.4
130.81880	1.5
133.93092	1.5
151.12436	1.5
199.29350	1.7
237.52399	1.7
251.07246	2.1
255.23361	3.2
257.19183	2.5
266.09433	6.6
279.06625	41.7
291.06653	32.7
292.07352	3.5
293.24875	7.4
294.09003	11.4
295.95248	1.6
306.08862	15.4
307.06125	100.0
307.09677	3.8
321.07608	2.2
322.08472	27.0
337.10815	84.8
337.20050	15.1
337.23825	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	337.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26455	0.4
57.03450	0.8
58.62347	0.4
59.01106	0.5
59.01383	11.1
67.01903	0.5
69.03458	0.4
69.22767	0.5
69.23132	0.4
71.01379	7.9
72.99306	2.7
73.02942	0.8
75.00872	10.8
83.01346	0.7
83.92815	0.4
85.02943	15.3
85.63959	0.5
87.00859	5.2
87.04507	85.8
88.77726	0.5
89.02440	3.1
95.01373	3.7
99.00866	7.6
103.00356	0.5
111.00870	0.6
113.02431	15.8
115.00357	2.0
117.01917	3.2
120.10810	0.4
129.01913	2.0
132.71239	0.5
142.81212	0.5
175.02518	1.0
225.71457	0.5
231.05153	0.9
233.65765	0.5
242.65053	0.4
249.06172	11.0
277.09235	0.7
319.10248	2.0
337.11438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.4
58.92505	0.3
59.01384	46.6
69.44126	0.3
71.01381	24.6
72.99276	0.5
73.02950	0.5
79.92049	0.3
83.01388	0.9
84.40483	0.3
85.02956	3.7
86.95334	0.3
89.02441	31.3
90.20416	0.3
95.01368	1.9
96.19470	0.4
101.02438	20.3
113.02451	11.7
113.09716	0.5
119.03486	10.6
149.04430	0.5
175.09778	0.4
179.05588	1.6
189.39302	0.4
225.08311	0.4
271.59677	0.5
297.50467	0.4
323.66272	0.4
337.15070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1658
Annotation	18-Cooh-19,20-ltb4
Peak:m/z	Relative Intensity
53.03188	1.1
56.76197	0.9
57.03440	1.3
59.01373	4.2
67.50521	0.9
71.05008	1.3
83.05000	0.9
96.96015	1.1
101.97557	1.0
149.09622	1.3
169.42592	1.1
206.02264	1.6
215.14293	10.3
231.17601	2.3
232.26950	1.0
249.18625	16.1
259.13333	1.7
270.68765	1.0
275.16565	36.4
275.19559	2.0
279.06580	14.2
291.06662	10.1
293.17599	18.7
293.21158	5.0
294.08865	1.8
306.08881	4.0
307.06128	23.2
319.15457	1.6
319.19055	2.1
322.08456	7.5
337.10809	20.1
337.16531	100.0
337.20212	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	337.2021
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
55.21017	0.6
59.01374	1.4
59.65287	0.6
62.31389	0.7
73.02933	2.6
97.06578	0.8
102.88027	0.7
106.93754	0.6
136.05258	1.2
137.09705	1.6
199.62286	0.7
205.12315	4.3
219.13852	0.9
249.18542	1.5
259.16980	0.8
265.18118	2.7
270.81784	0.7
273.18616	3.6
275.16614	3.4
275.20169	19.6
277.18048	4.0
291.19672	3.4
293.17679	3.4
293.21201	87.4
319.15451	1.3
337.16486	24.9
337.20190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11209	4.6
55.00589	5.1
59.01385	37.4
95.98798	5.0
96.95972	8.9
117.24496	5.5
182.80064	5.5
197.47693	5.7
229.00150	5.5
255.23453	7.7
277.21710	29.4
291.95889	5.5
322.85269	5.6
337.20392	18.6
337.23904	100.0
348.23013	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	338.1177
Annotation	CHEBI:273574
Peak:m/z	Relative Intensity
50.82180	0.6
57.03439	0.6
59.01384	9.9
60.01717	0.9
71.01381	7.3
72.01723	1.0
72.99312	2.2
75.00868	10.7
76.01216	1.1
77.07928	0.5
80.39153	0.5
83.34513	0.5
85.02949	11.7
86.03286	4.6
87.00877	2.7
87.04506	62.1
88.04838	28.1
89.02445	2.8
95.01378	2.2
96.01724	0.9
99.00891	5.5
100.01210	1.2
103.00357	0.8
113.02438	9.0
114.02756	5.9
117.01952	2.5
119.05038	1.1
129.01921	0.6
146.67514	0.6
154.82564	0.7
163.03998	1.3
164.04358	2.2
175.02505	0.7
191.74661	0.5
232.05382	0.8
249.06146	2.8
250.06538	7.1
320.10751	2.2
338.11798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2336
Annotation	Tumonoic acid A
Peak:m/z	Relative Intensity
53.49799	4.0
99.20771	4.2
139.11319	4.7
168.87680	3.9
171.10205	16.3
178.06558	4.8
187.09485	3.9
192.43379	4.0
200.12941	5.5
211.13449	27.6
240.15958	8.4
251.16609	21.5
278.22086	26.7
338.23334	100.0
338.27615	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	338.2337
Annotation	Tumonoic Acid A
Peak:m/z	Relative Intensity
52.95288	0.3
53.93270	0.4
56.81602	0.4
63.14003	0.4
67.50153	0.4
75.76867	0.4
84.71743	0.5
125.09708	0.6
137.09741	0.5
169.12309	1.0
171.10269	3.7
181.45132	0.5
267.23410	1.1
276.23300	0.8
277.21774	0.8
281.24890	0.8
294.24484	4.9
295.22778	10.5
296.25943	0.8
308.25830	0.5
309.24261	1.9
310.23853	1.0
320.22339	21.8
320.25818	2.0
338.23322	100.0
338.27054	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78529	0.6
59.01384	1.4
69.68539	0.8
73.02954	0.9
77.74471	0.7
99.02988	0.8
143.38708	0.8
145.02946	3.1
163.03928	1.6
163.21967	0.8
175.96547	0.8
239.10643	0.9
253.08736	3.4
262.06281	1.2
263.07193	6.8
268.11023	2.0
278.28442	1.0
280.07376	3.3
281.05362	1.3
281.08209	21.8
291.06711	11.9
292.07523	1.7
293.08234	7.7
294.08777	1.9
295.09570	1.4
296.10471	5.7
306.09033	1.3
307.09506	1.0
308.10419	3.6
309.07706	100.0
313.72128	0.7
323.09189	6.7
324.06216	1.0
324.10037	38.7
339.12335	97.8
339.18002	7.5
339.21576	3.1
348.54568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43751	2.6
59.01366	3.4
60.29474	3.2
97.06570	15.4
110.64949	2.9
172.73425	3.0
183.01219	11.7
210.06761	2.9
252.03409	3.4
261.98764	3.2
295.26312	33.7
339.19952	100.0
339.25375	45.4
339.32556	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.88179	0.3
83.98297	0.3
86.68810	0.3
90.80126	0.2
105.98216	0.3
160.49854	0.3
163.11278	100.0
170.82346	0.3
203.11995	0.3
306.03363	0.3
317.11292	0.3
339.23294	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.67223	0.3
54.40532	0.3
57.75853	0.3
59.01380	0.4
60.48632	0.3
64.56277	0.3
67.45276	0.3
78.61358	0.3
79.57217	0.3
81.17227	0.3
106.04143	0.7
134.84085	0.3
163.11275	14.6
171.10243	0.4
175.11299	0.8
176.12045	1.7
177.12817	2.3
177.66888	0.3
188.65594	0.3
190.09901	0.6
208.11014	1.7
281.15457	0.7
282.16226	4.9
283.16946	4.5
295.26447	3.7
306.19360	0.4
339.23239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51534	0.5
57.03452	8.3
58.02985	0.7
59.01390	4.2
75.67038	0.6
83.01357	0.6
83.04974	0.7
95.84188	0.6
97.06600	0.7
127.11396	0.8
129.44763	0.6
150.88582	0.6
156.10138	0.6
161.09711	0.7
163.11269	7.6
171.10269	3.0
172.10638	1.3
183.13765	0.8
195.13887	0.8
196.14305	0.8
199.13466	2.4
211.13472	1.4
237.22209	2.3
239.16588	1.5
277.25497	0.8
278.21973	4.3
279.23318	100.0
294.21527	1.2
294.24548	0.9
295.24649	10.4
295.26450	24.2
296.23215	4.6
297.26389	1.5
321.24323	1.2
339.19730	7.9
339.23956	43.7
339.27542	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	339.254
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
54.98592	1.7
59.21162	1.6
65.38441	1.6
109.06595	7.8
183.01225	3.2
261.22162	3.0
264.60501	2.0
277.25391	43.9
295.26495	39.5
296.23224	2.9
339.20111	15.6
339.25378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2904
Annotation	CHEBI:79194
Peak:m/z	Relative Intensity
50.51455	0.9
53.42390	0.8
57.03447	2.1
61.72369	1.2
65.59588	1.1
69.03444	9.5
71.05014	4.4
85.06564	1.5
132.72231	1.3
163.11281	9.9
267.26880	22.0
279.23239	7.3
279.26938	7.7
295.30090	9.6
303.24942	1.3
321.27884	2.0
339.20392	8.4
339.23685	4.1
339.29037	100.0
354.23254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2489
Annotation	O-[(5Z)-dodecenoyl]carnitine
Peak:m/z	Relative Intensity
51.71172	0.7
57.67131	0.7
59.01371	3.2
59.28507	0.7
66.58282	0.7
170.11842	1.3
171.10242	3.9
279.23322	4.0
294.24487	1.2
296.25949	33.6
296.29279	2.2
297.24347	26.1
298.27444	4.4
312.25427	3.5
322.23962	1.9
340.20392	7.9
340.24866	100.0
340.28604	23.6
348.21365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0666
Annotation	Irisoid C
Peak:m/z	Relative Intensity
54.82267	1.7
57.40189	1.7
59.01384	17.7
71.01376	4.0
76.05463	1.8
89.02455	10.0
92.18346	3.4
101.02447	7.0
113.02435	1.9
113.47044	1.9
119.03543	3.0
143.07169	3.7
179.05568	2.1
202.82906	1.9
247.12563	2.1
268.03812	4.3
269.04559	16.8
279.19708	8.6
297.04034	77.4
300.02835	2.9
334.61230	2.1
341.06772	100.0
341.10864	15.5
341.19614	36.9
341.23163	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	341.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53756	0.4
59.01384	26.5
66.14955	0.4
70.02966	2.2
71.01382	17.2
71.05020	1.6
75.62832	0.4
77.16142	0.4
85.02937	1.0
87.00893	0.8
87.05638	1.8
89.02441	28.4
95.01389	0.6
95.93453	8.5
96.94243	7.0
99.04502	0.5
101.02448	10.6
105.60936	0.5
110.47576	0.4
113.02463	7.8
115.05090	3.7
119.03484	9.9
122.95789	3.4
130.03322	1.8
131.03516	1.0
134.09978	0.5
139.98479	5.1
143.03496	1.6
146.08240	20.3
155.66768	0.5
161.04552	2.0
179.05603	8.6
211.02165	4.9
217.12019	0.7
219.95518	0.5
239.01701	5.6
264.16501	0.5
267.01352	0.6
341.08112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0919
Annotation	Caulersin
Peak:m/z	Relative Intensity
51.77988	0.8
59.01384	100.0
61.24794	0.8
71.01376	60.3
72.99301	1.3
73.02965	1.8
80.93568	1.0
83.01368	1.5
83.60458	1.0
85.02947	9.6
86.11702	0.8
87.00876	2.3
89.02438	90.6
95.01382	2.2
96.94194	1.7
101.02429	39.9
113.02448	28.7
117.02251	1.1
119.03501	25.6
119.04340	1.3
131.03506	3.6
142.03529	1.0
143.03450	4.4
146.08220	4.5
149.04570	1.0
161.04568	6.1
168.44623	1.0
179.05606	19.3
211.02162	1.7
341.09222	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	341.1028
Annotation	UWM6
Peak:m/z	Relative Intensity
59.01102	1.7
59.01381	35.8
71.01376	25.5
72.61139	0.9
73.02966	1.0
85.02946	2.2
86.31641	1.1
89.02440	35.7
91.44886	1.0
93.03448	4.0
101.02422	13.2
109.02950	1.6
113.02449	11.5
115.04135	0.9
117.03421	1.9
119.03491	10.8
121.02953	4.9
123.04501	2.2
131.03503	1.0
134.03726	2.3
135.04504	4.7
143.03503	1.9
145.02933	1.9
145.31409	0.9
146.03748	11.5
149.02348	7.1
159.04469	2.0
161.04593	2.4
161.06071	1.6
170.24956	1.1
179.05626	13.5
203.03517	1.8
209.06149	1.4
219.53049	1.0
221.06137	2.0
223.07584	1.5
238.06383	3.6
239.07079	13.3
241.93407	1.0
249.05702	3.2
250.06363	2.2
253.08614	4.9
267.06644	36.7
269.08246	3.6
278.05841	14.3
281.08173	6.4
282.08932	10.2
293.08182	1.6
296.06906	11.3
297.07602	5.3
297.11301	14.3
311.05563	3.7
311.09174	19.5
326.07898	6.1
341.06949	3.7
341.10532	100.0
341.15347	4.8
341.19696	7.8
344.68762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1025
Annotation	Piperphilippinin II
Peak:m/z	Relative Intensity
55.98223	0.3
56.37959	0.3
59.01382	5.9
60.50428	0.3
62.95819	0.3
69.14709	0.3
71.01381	4.0
85.02936	0.6
89.02435	5.4
93.03422	0.9
95.05026	0.6
101.02422	2.6
113.02406	1.7
119.03468	2.1
121.02944	15.8
125.09689	0.5
134.03714	1.4
136.01610	2.4
143.05000	0.5
145.06581	10.8
148.91185	0.3
151.04013	3.6
158.03659	0.8
159.04474	1.7
160.04041	0.7
160.05293	15.4
161.04478	0.4
171.10243	0.8
175.07625	6.3
179.05608	1.6
181.39320	0.4
185.11673	0.7
201.11333	0.6
209.11847	3.6
227.13040	0.5
251.07121	3.5
252.07912	100.0
267.10257	37.2
267.13214	0.6
279.15829	0.5
282.09039	3.4
297.11319	40.3
305.17471	0.7
322.81412	0.4
323.18677	0.7
326.07901	0.5
341.10437	31.8
341.15784	1.6
341.19489	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33513	0.3
53.08700	0.3
55.92708	0.3
58.00579	0.5
59.01375	60.8
59.56591	0.4
71.01371	38.4
72.09625	0.4
73.02959	0.6
74.99256	0.4
83.01353	1.9
85.02929	4.8
85.82922	0.4
87.00857	1.8
89.02428	67.4
95.01366	1.9
101.02426	24.6
110.30245	0.5
113.02431	21.7
119.03476	20.5
125.02412	0.5
131.03496	3.5
143.03494	4.3
149.04530	2.1
155.77229	0.5
161.04514	6.3
179.05595	24.3
341.10867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16458	0.9
51.11793	0.8
51.65693	0.8
53.35057	1.0
54.15846	0.9
59.01374	85.8
63.51123	1.0
64.66768	0.9
71.01363	52.6
71.85251	1.0
76.58289	0.9
85.02936	5.6
87.00858	4.5
89.02422	90.4
95.01378	2.0
101.02422	35.0
113.02415	26.8
113.03141	1.9
119.03469	28.4
131.03453	3.9
143.03461	4.7
161.04527	5.5
179.05571	32.2
208.87845	1.1
239.96927	1.1
341.10858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43663	0.9
59.01377	85.5
61.72147	0.9
64.28755	1.0
71.01371	57.3
72.99297	1.1
83.01405	1.4
85.02948	5.3
87.00860	1.6
89.02428	83.0
95.01371	2.2
101.02421	36.0
113.02422	22.5
119.03478	26.9
121.31038	1.1
143.03474	4.4
153.25269	1.1
161.04547	6.7
179.05583	25.0
229.59366	1.0
341.10889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21533	0.9
58.00579	1.9
59.01373	86.7
62.01194	0.9
71.01368	60.4
72.99282	1.1
73.02911	1.8
83.01366	1.1
85.02935	7.1
87.00852	1.7
89.02423	100.0
91.33934	1.1
95.01391	1.6
96.96980	1.3
101.02422	34.9
113.02423	27.3
119.03461	22.9
131.03513	2.0
143.03511	2.5
149.04507	1.4
161.04530	6.4
161.54536	1.0
179.05585	31.7
179.07063	1.3
277.44672	1.1
341.10873	98.6
350.82559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Pukalide aldehyde
Peak:m/z	Relative Intensity
56.47502	0.3
59.01352	1.5
67.37846	0.3
76.72813	0.3
77.39581	0.3
84.36351	0.3
86.10888	0.3
89.02400	0.8
99.97365	0.4
108.78156	0.3
116.52095	0.3
147.65645	0.4
161.72847	0.4
171.10173	0.5
177.09207	0.6
183.11703	0.4
199.11295	16.0
210.10573	0.6
211.14886	0.8
213.09148	1.3
213.12865	0.4
225.16460	1.5
227.14468	4.2
235.14932	0.5
237.12831	6.9
238.13640	20.7
249.71593	0.4
251.14415	0.5
252.11475	0.5
253.15977	100.0
267.10425	0.4
267.13913	0.9
269.11813	0.7
269.15372	0.4
282.12631	0.4
283.13382	5.9
297.14972	19.5
341.13953	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72337	1.3
59.01389	10.7
71.01387	3.8
80.61340	1.3
84.02155	14.2
89.02454	3.7
97.02959	1.9
97.06589	6.2
99.04527	5.6
109.05243	1.6
118.81479	1.2
119.03508	1.8
134.12656	1.5
140.37506	1.5
142.24797	1.4
171.10349	9.2
176.76414	1.8
179.05592	2.7
183.13911	27.0
193.12329	6.8
211.13518	7.5
225.14922	5.8
262.70239	1.8
279.19592	10.8
297.20822	6.4
305.17517	1.8
323.18634	7.4
341.10748	8.0
341.19550	28.4
341.23392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66294	0.7
57.03458	2.0
60.36699	0.7
60.45692	0.8
61.53124	0.9
62.66183	0.7
133.42404	1.0
153.34608	0.9
267.26929	54.8
281.24847	12.4
295.26328	10.8
308.68637	0.9
313.27496	100.0
341.27023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3061
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
54.50930	0.4
60.39147	0.4
70.23940	0.4
71.05020	22.1
73.02959	0.9
104.01161	0.4
167.34586	0.5
267.26892	4.6
281.28510	39.4
305.28522	0.9
307.26410	0.8
323.29602	17.7
341.30624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1119
Annotation	phenyl[1-(n-succinylamino)pentyl]phosphonate
Peak:m/z	Relative Intensity
59.01376	63.4
60.01716	13.9
69.28559	0.7
71.01369	35.1
72.01709	12.8
73.02928	1.1
85.02942	3.5
86.03279	1.2
87.00852	1.1
89.02428	64.7
90.02747	20.0
95.01357	0.9
101.02425	21.8
102.02779	11.8
109.90144	0.8
113.02421	14.9
114.02764	8.4
119.03484	15.8
120.03809	7.4
131.03423	1.2
143.03465	2.8
144.03822	3.2
161.04498	1.5
162.04875	3.6
179.05548	12.9
180.05942	12.6
186.56514	0.9
190.01799	0.8
318.25836	0.8
342.11200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2649
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
54.15094	3.2
58.06754	3.2
61.72715	3.5
74.02473	57.2
102.32800	3.5
102.60935	3.2
104.03545	16.0
108.15681	3.4
108.65236	3.5
127.18177	4.0
129.76259	4.0
237.22272	6.7
280.26361	21.7
294.24478	7.6
312.25543	13.8
342.22256	4.6
342.26483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15328	0.1
59.01379	69.2
84.36465	0.2
102.37959	0.2
110.88372	0.3
115.02508	0.2
131.49733	0.2
157.03554	9.1
159.01477	5.8
201.02551	100.0
277.96567	0.2
281.09985	0.2
341.18875	0.2
343.03711	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	343.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08003	0.7
52.52501	0.6
58.29073	0.6
59.01374	14.5
60.95659	0.7
71.01363	4.0
73.02947	1.0
89.02428	1.4
92.15253	0.7
93.03489	0.8
95.01357	2.8
98.64838	0.7
113.02429	1.6
121.02937	3.5
123.00859	94.5
124.01630	78.3
137.02440	1.4
138.03203	72.2
139.00398	1.2
139.03990	100.0
141.37791	0.8
149.02403	3.3
161.04480	0.8
163.03972	4.3
166.02670	1.4
178.02731	1.9
181.05020	6.6
193.05048	1.5
203.05629	1.6
234.50186	0.8
234.89339	0.7
278.98242	0.7
283.08234	5.1
301.09338	1.0
343.06589	1.2
343.10260	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	343.1549
Annotation	Ligucalthaefolin
Peak:m/z	Relative Intensity
59.01386	3.9
71.05014	12.7
99.04501	71.0
117.03393	1.4
119.04218	1.4
119.05017	27.0
121.02917	1.4
123.08175	1.2
125.09731	2.3
132.65776	1.6
146.29001	1.2
150.78658	1.0
155.10770	2.1
157.08643	1.3
163.03986	33.1
164.04782	2.7
171.10263	2.1
183.10341	1.3
184.09013	1.6
195.10286	1.4
199.11284	100.0
201.11298	4.3
207.06696	1.8
213.11340	2.3
278.51877	1.2
307.18973	1.8
343.15472	57.7
343.21158	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	343.1553
Annotation	Eriostoic acid
Peak:m/z	Relative Intensity
59.01382	1.4
59.21743	0.5
59.65446	0.5
66.57439	0.6
67.27158	0.5
75.72156	0.6
91.07345	0.5
92.65780	0.6
96.97671	0.7
121.10247	6.9
125.09724	1.4
127.11294	1.4
137.09721	1.2
139.11281	14.5
153.09126	0.9
171.10269	67.3
172.08762	0.7
179.19843	0.7
185.09753	1.2
186.10477	1.2
187.11295	2.9
199.11317	15.5
200.45346	0.6
201.11499	0.8
209.19133	0.6
211.13387	1.1
212.12050	11.6
213.12897	3.1
225.12689	0.7
227.14474	6.4
237.16634	0.7
240.15190	5.3
255.17566	51.8
283.13382	4.0
283.26300	0.9
289.17850	0.8
293.21127	0.7
299.16605	10.4
299.19971	1.1
313.28448	0.6
343.11990	1.3
343.15591	42.8
343.24893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02442	1.3
57.03400	1.4
59.01383	100.0
60.75392	1.3
63.46510	1.5
66.84542	1.3
67.41151	1.6
71.01367	2.0
73.02965	1.7
81.23254	1.5
107.04868	1.7
113.06083	2.1
115.08747	1.5
115.20563	1.4
123.00889	3.6
125.06078	6.5
128.08839	1.4
130.08743	6.9
136.05319	1.6
138.03232	1.8
138.06844	1.9
139.04016	2.1
139.07660	7.0
140.99130	1.8
151.07663	13.4
153.09213	53.0
161.09648	1.7
170.82372	1.5
179.10808	5.9
181.05124	3.1
205.12381	10.7
212.10460	3.8
223.13390	9.2
235.13637	1.6
265.14374	2.0
283.15543	47.9
337.53354	1.6
343.10913	3.3
343.17480	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	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
59.01372	1.6
67.60141	1.4
67.64235	1.3
69.67045	1.2
72.97533	1.3
93.13439	1.7
97.06583	5.6
102.08330	1.8
123.08169	2.3
125.09709	93.9
128.07787	1.4
139.11365	1.6
145.16176	1.6
149.29745	1.6
173.11826	33.4
184.65474	1.7
187.09747	18.8
220.93179	1.4
281.21414	2.0
283.26407	2.8
299.16696	1.6
325.20288	7.1
343.21255	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.23949	0.3
59.01387	0.8
66.73064	0.4
68.28799	0.3
69.03445	0.4
73.36813	0.3
80.03362	0.3
80.03834	0.3
81.24287	0.3
82.41142	0.4
99.08147	6.3
121.10232	3.7
121.67617	0.4
125.09705	2.1
127.11265	0.4
134.87096	0.4
135.11539	0.4
137.09708	1.5
139.11250	0.7
165.12801	0.8
171.10248	31.7
183.13881	0.8
185.11761	0.4
193.12323	14.2
197.11755	0.7
201.11385	0.4
211.13393	7.5
213.11259	0.4
218.11461	0.5
225.14948	18.0
243.16002	5.7
293.21265	2.5
311.22244	0.5
326.89581	0.4
343.24863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.12960	1.2
59.01370	3.3
62.50182	1.5
63.76055	1.5
71.04995	1.4
78.68047	1.4
94.47932	1.3
125.09715	8.4
127.11277	8.8
139.11250	11.0
155.10786	2.6
165.09161	1.9
171.10251	23.8
183.10275	2.1
184.70151	1.6
187.09758	2.1
199.09747	2.8
201.11333	55.6
275.20175	5.8
283.26239	3.3
293.21158	1.8
343.24884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.285
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
50.68089	0.3
56.99522	0.3
72.98019	0.4
72.99294	26.8
75.00859	23.7
77.22181	0.4
83.40442	0.4
104.58259	0.5
115.60080	0.4
142.06754	0.4
208.19325	0.5
343.28494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68680	0.5
52.63160	0.4
53.74507	0.4
55.35333	0.4
58.55423	0.5
59.01373	39.2
67.80370	0.5
70.20339	0.5
71.01370	18.9
72.99310	0.7
73.02922	0.9
74.99089	1.0
83.01366	1.4
85.02939	4.0
85.81366	0.5
89.02424	23.2
92.05037	1.3
95.01385	1.3
101.02413	20.0
101.03974	0.5
108.04554	0.8
113.02434	9.6
119.03471	7.8
120.04530	15.2
120.05333	1.0
122.06085	3.9
130.08704	3.0
136.04028	3.5
137.04840	0.9
138.04514	0.8
138.05586	29.9
164.03503	52.8
165.05577	0.9
180.06662	3.2
200.04556	0.5
217.94998	0.6
250.10779	1.3
300.10843	8.5
344.09851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84682	0.7
54.11755	0.7
58.16017	0.8
58.56638	0.9
64.00121	0.7
92.08710	0.9
99.08138	5.9
100.08493	4.1
100.49147	0.9
104.58808	0.8
111.17048	1.0
133.78125	0.9
141.07721	1.0
149.13271	0.9
171.10266	8.5
172.10599	6.6
189.68512	1.0
193.12334	9.6
194.12692	13.8
211.13292	1.5
212.13803	1.8
225.15033	6.2
226.15286	13.7
243.15991	1.7
244.16379	5.3
344.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0617
Annotation	Quercetagetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
59.01389	6.3
80.85732	1.6
114.04414	1.5
125.37375	1.7
166.32396	1.6
197.49550	1.8
209.47630	1.7
226.02855	2.6
243.02925	1.9
270.01807	2.6
271.02344	15.2
284.03217	3.3
285.04105	12.9
287.01880	8.6
291.19998	1.6
299.02008	55.4
300.02731	10.1
313.03589	33.6
314.00839	3.1
314.04333	54.8
315.01450	20.4
315.05127	11.7
315.16153	3.7
329.02460	2.5
330.03638	12.1
345.06155	100.0
345.09619	3.9
345.17023	26.0
345.22888	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	345.0978
Annotation	Amorphaquinone
Peak:m/z	Relative Intensity
50.72956	0.9
59.01374	2.2
77.51581	1.1
85.95425	1.1
108.01450	2.4
108.02158	47.2
123.00909	1.6
123.04501	54.6
137.02490	1.7
141.64590	1.2
150.03200	20.2
161.02438	2.3
164.04788	2.5
176.01134	16.7
177.01920	21.7
182.02220	7.7
189.01897	16.6
191.03502	36.5
201.58569	1.2
221.04591	1.5
251.71989	1.1
253.05051	2.4
269.04468	6.5
281.04550	2.8
283.05994	2.1
284.06866	2.0
286.04868	1.6
294.05194	2.0
297.04068	33.4
297.07263	1.6
300.06314	7.7
311.05664	2.3
312.06320	13.0
315.08731	56.7
327.08728	100.0
345.06097	1.8
345.09729	6.8
345.22528	9.3
361.46417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80992	0.2
61.55973	0.2
62.11087	0.3
68.99814	4.5
81.10928	0.3
87.61214	0.2
107.33928	0.3
108.02164	9.7
109.02909	0.6
122.03724	0.6
123.00853	0.4
123.04513	11.5
125.09672	0.3
132.02161	1.4
134.03682	0.4
136.01648	59.4
143.07133	0.4
147.04523	1.2
148.01627	0.6
150.03201	7.0
151.03992	100.0
163.04015	1.0
165.05557	0.6
171.10289	0.7
175.03935	0.6
176.01134	0.5
177.05554	1.4
178.02705	26.5
191.03526	1.5
193.05057	32.3
204.35110	0.3
211.13426	0.5
221.04601	0.6
229.14415	0.4
241.05104	0.4
253.04999	0.3
300.06442	0.4
315.08963	1.9
327.08810	0.4
345.09814	29.6
345.13138	1.5
345.17120	3.2
345.22711	7.0
353.05820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25449	0.6
51.40059	0.5
57.03460	0.8
57.39217	0.6
59.01368	1.0
65.50675	0.6
68.61171	0.7
71.05022	4.2
74.47147	0.6
83.05107	0.7
87.04520	12.5
99.04505	7.6
121.06610	0.8
129.41945	0.6
133.06586	4.0
135.08159	11.3
135.14085	0.7
149.09744	3.8
151.07632	1.4
153.09224	0.7
164.08423	2.8
165.09232	1.6
175.11130	0.8
181.42329	0.7
188.85843	0.6
201.12840	13.8
205.58359	0.7
215.14569	0.7
229.12347	0.9
239.18137	0.8
257.19171	4.4
273.18655	1.5
283.17017	1.3
301.18094	18.8
345.17102	100.0
345.25632	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	345.1705
Annotation	Gibberellin A24
Peak:m/z	Relative Intensity
59.01375	1.0
59.55564	1.2
71.05006	1.5
76.69720	1.1
87.04506	7.1
99.04536	2.1
119.86628	1.1
121.06585	2.3
127.07639	16.4
133.06560	2.3
135.08156	13.8
138.06900	1.9
139.07617	7.5
149.09717	6.8
151.07616	6.1
161.09668	1.7
164.08420	17.6
165.09213	8.3
201.11194	2.1
201.12869	36.3
243.17525	2.0
245.19118	1.5
253.12343	1.8
269.15543	2.2
271.17099	8.9
286.15704	4.5
289.18045	2.7
301.18094	100.0
309.20636	2.8
345.17789	11.0
345.24338	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	345.1703
Annotation	Isodocarpin
Peak:m/z	Relative Intensity
51.49248	1.5
59.01362	10.1
60.06821	1.7
62.01994	1.7
68.22008	1.9
80.11714	1.8
87.04499	35.5
90.83205	2.2
101.13046	2.1
135.08173	3.9
147.08046	2.8
152.28712	2.3
159.93840	2.1
187.13326	2.7
201.12854	9.3
213.12878	4.4
215.12810	3.1
217.33475	2.2
257.19153	15.2
268.14587	4.3
273.22238	2.1
301.18057	45.1
308.93405	2.3
323.54037	2.3
340.65268	2.4
343.32764	2.4
345.17032	100.0
345.21048	4.3
345.26736	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	345.2281
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03437	1.5
59.01382	1.3
59.76949	0.3
68.06219	0.3
85.02930	0.7
85.06586	1.8
90.34666	0.4
93.03412	0.6
97.06611	0.4
108.02148	2.5
115.07625	6.4
123.04497	1.9
125.09729	0.8
127.11276	1.7
136.01688	0.4
143.07114	0.7
149.02354	0.5
151.04060	0.6
152.01039	0.5
155.14433	0.4
159.24979	0.3
163.03951	0.8
165.12764	0.5
167.03482	1.8
167.14371	0.9
171.10236	4.8
179.03378	0.4
183.13864	5.6
185.11819	0.4
193.12354	1.7
199.13388	0.5
201.11319	0.4
209.11832	2.7
211.13370	39.2
229.14407	30.1
271.06104	0.8
286.08401	1.9
301.10727	0.4
309.20758	0.7
315.08704	0.7
323.97601	0.4
327.21835	0.9
345.06052	3.9
345.09744	5.7
345.13638	2.1
345.22778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84647	1.6
52.60858	1.6
59.01375	18.7
62.86428	1.6
71.05015	3.7
84.02166	2.6
88.06805	1.6
88.97143	1.7
92.07899	2.0
99.04496	14.0
99.08100	1.9
125.09695	9.2
129.09174	3.2
137.09712	2.9
155.10771	2.1
171.10246	24.1
185.11801	11.1
197.11795	4.1
201.02455	7.1
201.11331	9.9
203.02301	3.4
209.11726	3.3
215.12878	4.0
291.19510	2.2
301.18100	9.6
315.15887	2.3
327.21759	3.0
345.09988	2.4
345.17038	64.9
345.22784	100.0
345.27087	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	346.0554
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
54.99684	0.2
62.22723	0.2
65.80836	0.2
68.10215	0.2
78.95889	100.0
80.92592	0.2
83.89542	0.2
88.98791	1.9
92.18373	0.5
96.00881	0.3
96.96938	33.4
118.58636	0.2
119.41961	0.3
127.05114	0.2
128.03491	0.5
134.04709	16.9
138.98003	2.1
150.97989	4.4
192.99052	1.4
211.00082	2.6
328.11606	0.3
332.16513	0.3
346.05542	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	347.1133
Annotation	Syringopicrogenin B
Peak:m/z	Relative Intensity
55.35547	0.3
55.70101	0.4
57.04177	0.4
59.01368	0.7
71.47230	0.4
83.51562	0.4
91.03835	0.4
93.03400	0.7
100.18079	0.5
106.24788	0.4
108.02153	4.6
109.02950	0.6
121.02911	2.1
122.03733	4.7
123.00878	2.5
123.04521	3.3
124.01652	0.8
131.71159	0.4
133.02917	0.7
135.04523	0.5
136.01639	81.4
149.02415	7.5
150.03200	90.8
151.03984	80.2
151.04973	1.3
153.05534	1.7
164.04802	3.4
165.05539	100.0
177.05521	0.8
178.02698	2.0
180.04227	7.5
193.05051	2.3
195.06602	45.2
214.06364	0.8
229.73021	0.5
241.05135	0.5
255.06584	0.6
273.07672	0.4
299.09125	0.7
302.07928	0.5
303.09207	0.5
317.10300	4.7
329.06500	0.7
347.07672	0.9
347.11334	7.6
347.18350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59386	1.0
56.75457	0.9
57.64318	0.8
58.35828	0.9
59.01377	2.2
67.68875	0.8
70.02961	1.5
71.01382	5.1
71.05008	5.3
78.95897	4.1
80.35416	0.9
85.02919	1.0
88.04031	23.3
89.15658	0.9
96.96964	1.7
99.04501	1.3
102.05593	7.2
109.69209	0.9
112.07667	2.3
120.99645	4.7
123.00829	1.3
128.03526	69.0
138.03258	1.0
138.05688	1.0
146.04584	21.3
146.08221	32.2
156.06668	12.2
159.62570	0.9
180.94427	1.0
182.04544	4.1
200.05676	5.7
218.10333	15.7
301.09457	1.1
329.13422	6.3
347.14563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.15
Annotation	Scabrolide D
Peak:m/z	Relative Intensity
53.78599	1.6
53.86304	1.6
54.38035	1.5
54.45917	1.6
59.01376	4.6
88.11497	1.8
89.02467	2.0
109.06599	2.2
113.06060	2.2
122.03735	8.5
123.08217	1.8
125.06065	2.8
134.05994	1.8
137.06102	18.3
141.08742	2.0
150.06886	3.3
151.04021	4.1
151.07645	8.3
153.09201	22.0
165.09149	14.5
173.68042	1.8
178.98225	1.8
236.85132	1.9
263.64771	2.2
273.18680	2.6
285.18454	3.9
288.13690	34.3
289.14371	2.9
303.16046	20.7
303.19516	6.3
317.17462	3.5
329.17682	3.9
347.14905	95.9
347.18649	100.0
347.24179	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	347.1864
Annotation	Tricalysiolide B
Peak:m/z	Relative Intensity
50.72382	0.5
53.64096	0.5
57.03458	0.9
59.01369	2.4
64.76147	0.6
71.05016	0.7
83.05013	2.3
92.18342	0.7
123.08189	0.7
124.24796	0.7
149.09737	0.6
153.09195	3.8
195.41051	0.7
203.14470	0.6
254.13112	0.8
267.17511	0.8
269.15530	2.6
270.16046	0.7
273.18744	1.1
285.18600	23.4
303.16199	0.8
303.19699	13.5
317.17612	2.3
329.17621	2.4
347.18655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1863
Annotation	Tricholomalide A
Peak:m/z	Relative Intensity
70.04135	0.8
71.05035	1.9
72.55456	0.8
73.02946	15.2
83.04986	1.8
97.06570	2.1
133.94676	0.9
143.08644	4.4
173.09698	2.1
213.12865	1.9
215.14398	2.1
229.15941	10.8
243.17476	1.8
247.16989	1.2
247.20731	4.0
265.14899	1.2
271.17026	23.1
275.20111	1.6
285.18451	1.1
301.18405	1.1
303.19662	9.1
311.22241	5.6
347.18631	100.0
347.21948	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	347.1863
Annotation	Gibberellin A53
Peak:m/z	Relative Intensity
57.03454	2.0
59.01378	8.0
65.47382	0.5
74.05656	0.4
74.33703	0.4
76.50911	0.4
81.61394	0.4
123.08143	1.1
133.06520	1.0
135.08214	1.0
149.09723	5.6
161.09605	0.5
173.09401	0.4
227.14423	0.9
243.17505	14.0
259.20615	7.6
261.06171	0.5
267.17523	0.5
285.18597	47.5
289.11673	0.5
303.19595	4.0
314.81937	0.5
329.17633	11.2
347.18619	100.0
351.01370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1863
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
51.32104	0.3
57.78972	0.3
60.12056	0.3
71.05001	0.6
81.66070	0.3
82.65796	0.3
87.04504	5.2
87.93375	0.3
99.53277	0.3
137.09773	0.4
148.21513	0.3
163.11192	0.4
190.11464	0.4
194.31274	0.3
215.14383	3.7
241.12466	0.4
243.17654	0.4
259.13379	1.3
259.16916	0.4
259.17877	0.4
259.20670	6.2
269.15475	12.2
270.16287	14.8
273.18448	0.6
275.20358	0.5
285.18604	63.7
303.19672	12.2
329.17496	2.7
347.18649	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	347.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76844	3.3
53.78583	3.3
54.27271	2.9
58.02969	21.8
59.01383	3.8
64.48448	3.1
81.65275	3.7
86.30862	3.4
97.19864	4.3
145.25957	4.1
151.37572	4.2
168.13898	86.5
189.33574	3.8
201.13013	4.8
285.18411	9.2
293.21411	4.4
301.18085	28.1
304.19135	75.1
309.20740	19.1
347.18604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04998	0.8
58.00316	0.8
59.01381	14.3
70.28657	0.9
73.92213	1.0
73.93603	1.1
133.61623	1.1
160.13754	0.9
228.36443	1.0
244.88499	1.3
265.21732	100.0
347.22052	53.9
347.26340	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	347.2226
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
52.70879	0.3
53.03659	0.3
58.28160	0.3
59.11262	0.3
63.50208	0.3
76.17959	0.3
137.84973	0.3
138.74484	0.4
347.22272	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	348.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63661	2.8
52.65989	2.7
58.05760	3.1
65.52393	3.0
67.98024	3.6
69.46337	3.5
74.02496	3.1
82.58237	3.2
99.37675	3.2
122.03710	5.4
132.50214	3.7
136.01648	92.3
137.01987	56.2
146.07036	3.8
150.03224	91.9
151.03851	100.0
152.04320	60.8
153.01875	3.6
164.91972	3.9
165.05577	83.9
166.05882	82.5
178.02705	6.2
180.04210	5.1
194.05455	4.8
195.06635	38.0
196.06967	51.4
318.10712	6.2
322.85721	4.0
348.11731	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	349.1137
Annotation	Prodiamine
Peak:m/z	Relative Intensity
51.54153	0.5
54.30413	0.5
59.01374	14.4
60.25530	0.6
62.41818	0.5
71.01363	9.8
72.99294	3.2
73.02931	1.5
75.00860	14.8
76.01392	0.5
81.10889	0.6
85.02929	16.1
87.00865	4.2
89.02412	4.9
92.18424	0.8
95.01370	5.8
99.00868	8.9
99.04498	73.4
101.02426	0.7
103.00394	1.1
103.17937	0.7
109.02941	0.8
113.02430	16.8
115.00357	1.1
117.01908	1.4
128.98076	0.6
129.01913	1.3
145.69344	0.8
175.02458	1.3
231.05019	1.1
238.89095	0.7
249.06146	16.6
265.82962	0.6
267.07166	9.7
331.10373	1.2
348.66339	0.7
349.11392	100.0
373.59323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42737	1.2
56.40988	1.0
57.03453	5.6
59.01377	1.6
62.56686	1.2
68.47166	1.3
76.15289	1.1
84.08131	1.1
84.98335	1.1
87.04500	2.4
88.88994	1.0
99.63491	1.4
151.17625	1.5
163.03955	2.5
163.07657	2.9
192.13524	1.3
203.07147	1.8
203.14413	3.0
217.16032	1.9
227.14322	1.4
228.11803	1.4
229.16049	1.8
245.15514	8.2
247.13426	38.2
247.15976	1.6
253.16013	2.4
261.22183	1.7
271.17078	19.5
273.15054	2.4
287.16922	4.6
287.20160	65.8
289.14423	1.5
305.17819	2.6
305.21246	12.1
319.19165	1.4
331.19135	5.0
349.16501	65.0
349.20251	100.0
369.32227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23733	0.7
54.47911	1.1
57.49642	1.0
59.01373	2.5
62.06941	1.1
64.15784	1.0
70.71269	1.0
71.05014	3.7
75.01690	1.0
83.05011	4.7
85.95621	0.9
87.04497	1.3
92.18373	1.1
97.06551	2.2
100.53236	0.9
100.55305	0.9
113.06039	1.7
123.04486	1.7
135.08151	2.3
137.06117	2.5
139.07590	2.5
151.07634	1.5
153.09166	7.8
154.44385	1.4
191.10794	2.3
197.81557	1.0
205.12399	1.6
257.19031	1.2
259.16885	1.8
261.01563	1.2
275.16544	5.2
277.18033	1.5
285.18619	1.3
287.16525	27.9
287.19626	2.7
289.17975	3.8
301.18042	1.7
305.17557	100.0
305.20721	3.7
319.18973	1.6
331.19128	4.3
349.16467	97.7
349.20230	51.1
374.31241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1653
Annotation	gibberellin A2
Peak:m/z	Relative Intensity
55.50841	0.8
56.79311	0.7
57.03458	0.9
59.01394	2.8
73.02946	0.9
121.06566	1.1
122.03712	2.6
124.05267	1.5
125.06055	1.4
135.08139	2.5
137.06053	1.1
139.07666	4.6
149.09703	0.8
153.09215	5.8
162.03230	2.7
165.88351	0.6
167.10840	0.8
243.13867	0.9
243.17659	0.8
245.15421	1.3
254.37994	0.8
259.16995	64.0
269.15579	1.3
272.14194	3.0
287.16495	44.2
290.15228	8.9
305.17587	16.3
305.20770	1.1
323.18591	1.2
349.16559	100.0
349.20294	25.4
366.35263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1657
Annotation	Eurycolactone E
Peak:m/z	Relative Intensity
57.03450	0.9
59.01382	1.9
60.20139	0.7
71.08064	1.0
73.02924	1.6
83.05019	1.8
88.14838	0.9
107.05074	1.0
113.40775	0.9
115.07671	1.2
119.94892	1.0
122.03744	6.3
124.05299	5.2
125.06068	7.8
135.08318	1.0
137.06120	3.8
139.07651	14.1
149.09755	4.6
150.06897	4.1
151.07655	4.0
153.09238	4.3
159.56467	0.9
161.23798	1.2
162.03212	7.2
167.10753	1.9
177.05579	7.9
189.09297	1.2
191.10954	1.4
203.10767	1.3
205.12386	1.9
214.04597	0.9
260.14200	5.1
269.15259	1.1
271.17047	3.6
272.14340	1.4
273.55276	0.9
275.16653	8.8
277.18130	1.3
287.16461	8.5
289.14648	2.1
290.15265	46.0
305.17606	34.1
305.20935	2.2
331.19006	1.5
349.09506	2.9
349.16577	100.0
349.20319	23.5
373.19458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1657
Annotation	Gibberellin A82
Peak:m/z	Relative Intensity
50.40599	0.7
54.03796	0.6
57.03440	1.2
59.01370	1.5
69.09768	0.9
71.05000	0.8
83.05027	0.8
85.02942	1.3
93.37162	0.8
97.06616	0.8
113.06013	0.8
123.08117	0.9
133.06511	0.9
135.08147	1.5
153.09203	4.1
173.09659	0.8
191.10817	0.9
198.84044	0.8
245.15541	0.9
259.17007	49.3
269.15457	5.2
272.14099	6.5
275.16449	7.2
277.18057	1.2
287.16525	43.1
289.17993	1.1
305.17578	22.0
305.20853	1.2
331.19156	4.3
349.16479	100.0
349.20245	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	349.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18031	0.9
55.63243	0.9
57.03449	1.4
58.71169	1.0
59.01375	10.1
70.86237	1.0
71.05010	1.7
83.04996	2.3
96.58993	1.1
99.04512	1.7
109.06599	1.8
133.06627	1.2
135.08195	1.7
139.07628	2.3
153.09131	2.2
157.55844	1.2
165.09187	1.2
175.07567	1.4
200.85754	1.2
205.12421	1.4
243.13879	1.7
256.14618	4.4
259.17004	44.4
259.19763	1.4
261.18561	1.3
271.17087	15.7
272.14114	1.8
275.16608	2.2
277.18036	4.7
286.15634	4.4
287.16525	32.6
289.18079	22.5
291.19592	2.1
298.15842	2.1
301.18033	21.8
303.15613	1.1
303.19559	6.3
305.17526	21.0
313.18140	10.7
319.19101	44.4
331.19150	31.0
349.16431	94.1
349.20197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2017
Annotation	Flexibolide
Peak:m/z	Relative Intensity
57.12511	0.4
61.87751	0.3
64.40358	0.3
67.44389	0.4
68.48701	0.3
78.02461	0.4
104.69981	0.3
120.18458	0.3
121.06564	3.0
139.07639	2.3
190.99217	0.4
236.13489	0.4
245.15436	2.2
253.15958	1.4
271.16971	6.7
273.14951	3.3
287.20151	55.2
291.15851	0.7
305.21173	11.2
317.13931	3.1
331.19110	2.2
349.16641	6.0
349.20184	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	349.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
62.57513	0.3
73.74635	0.3
80.08598	0.3
83.05009	2.0
85.52383	0.2
115.80569	0.3
150.03580	0.3
223.14796	0.3
253.15926	0.6
271.17017	11.7
287.20166	50.6
289.18100	0.4
303.19446	0.4
305.17947	0.6
305.21201	12.2
319.19089	1.1
331.19025	2.4
349.20197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95756	3.6
59.01366	3.4
61.90308	3.5
70.86613	3.7
71.31683	3.4
83.84132	3.7
112.28020	4.7
190.97772	7.1
234.13033	4.4
313.23877	55.2
349.16220	7.8
349.20221	100.0
350.39548	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	349.236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83713	0.8
59.01381	10.9
64.33323	1.0
89.36968	0.9
120.23513	0.9
148.13936	1.1
236.15938	0.9
267.23285	100.0
349.23636	47.2
349.27600	1.5
369.14151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2702
Annotation	Melophlin E
Peak:m/z	Relative Intensity
64.20474	0.6
71.20621	0.6
88.04034	100.0
120.32220	0.6
126.62299	0.7
131.79323	0.8
167.33968	0.6
214.96324	0.7
266.64883	0.6
275.47986	0.7
298.10419	0.7
350.27039	54.5
360.65860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93100	0.5
57.03446	0.8
59.01376	10.8
68.99815	0.6
71.01367	7.4
72.99285	2.0
75.00859	13.0
85.02936	15.0
87.00862	4.9
89.02438	3.8
93.03443	0.4
95.01344	4.0
99.00873	8.4
101.06062	97.1
101.59398	0.4
103.00349	1.8
111.00800	0.5
113.02425	15.4
115.00339	2.1
117.01910	3.1
127.85791	0.5
129.01900	2.3
157.01485	0.7
166.49611	0.6
175.02457	2.1
231.04996	0.7
243.09146	0.6
249.06122	10.4
267.07187	0.6
333.11880	2.5
351.12943	100.0
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
50.99658	1.2
52.64061	0.9
53.23748	1.0
53.92830	1.3
57.03447	100.0
59.01379	72.1
71.01374	12.8
73.02933	7.2
83.70599	1.2
85.02935	5.8
89.02430	2.0
96.63374	1.2
99.00881	4.8
99.04504	93.6
101.02428	47.7
113.02432	10.3
125.02425	22.8
128.85602	1.4
143.03522	2.1
161.04546	9.3
207.08730	57.9
249.09752	11.5
289.12885	7.6
351.12988	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30027	0.5
51.63638	0.5
52.20218	0.5
52.84195	0.5
59.01383	100.0
59.08101	0.5
65.85799	0.5
73.02938	0.6
87.04493	0.9
92.18970	1.3
97.06669	0.7
103.68354	0.6
129.73033	0.7
135.69868	0.6
149.09756	0.6
191.10837	2.4
259.16992	1.2
263.16678	0.7
268.27588	0.6
271.17169	0.8
273.18665	1.0
289.18207	3.3
292.16733	0.7
307.19037	7.3
321.20648	8.2
351.14398	2.1
351.18060	20.9
351.21844	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	351.1819
Annotation	Tagitinin D
Peak:m/z	Relative Intensity
51.09505	1.6
59.01389	100.0
62.05747	2.1
65.38145	2.2
71.01360	3.8
72.99323	2.5
73.02951	3.7
79.95750	10.8
85.02964	2.8
87.75294	2.2
101.02412	4.0
101.06101	12.6
139.55066	2.2
146.39891	2.3
149.00554	2.6
151.03986	3.7
151.07721	2.6
156.51819	3.6
166.06339	4.0
188.08612	2.5
204.00809	14.9
208.52164	2.5
239.94748	2.3
245.15591	2.6
247.17108	9.5
273.18994	2.6
284.55286	2.4
291.16000	4.0
299.01944	2.8
307.19153	55.1
311.07730	11.0
312.76038	2.7
313.03748	8.1
314.04276	5.0
316.74429	2.9
328.05844	9.7
329.06726	9.1
351.06769	2.9
351.11194	13.7
351.14288	10.9
351.18185	90.2
351.21988	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1811
Annotation	Desacetyltetraneurin D 4-O-isobutyrate
Peak:m/z	Relative Intensity
56.97678	0.5
58.23269	0.6
59.01379	2.8
68.73605	0.6
71.05008	1.2
71.60558	0.6
71.62939	0.6
73.02938	0.6
83.05009	0.7
95.14267	0.6
99.04523	0.8
101.06071	1.5
121.06635	0.7
133.06596	1.0
137.09677	2.6
163.11314	0.6
175.41550	0.8
203.10791	1.2
243.17474	1.3
247.17026	2.2
259.17029	1.0
261.18585	16.5
269.61499	0.7
271.16925	4.0
287.16504	6.8
289.18021	4.7
289.21561	1.3
307.19135	100.0
320.98853	0.7
325.20047	1.2
333.20654	3.3
351.18054	92.6
351.21838	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	351.2176
Annotation	Narbonolide
Peak:m/z	Relative Intensity
59.01378	100.0
75.00852	0.9
81.59993	0.7
89.55052	0.7
96.96002	0.8
97.06560	0.9
101.06042	3.4
151.04054	1.2
191.10707	1.7
253.08907	0.7
263.20248	1.0
271.16986	1.3
273.18552	1.7
281.06863	0.8
287.20227	4.3
291.19528	0.9
307.19089	14.4
321.20682	57.3
351.14404	3.8
351.17984	28.4
351.21774	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	351.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16901	0.7
57.03439	1.2
59.01376	12.8
71.04994	1.5
80.43293	0.7
83.05016	0.7
87.04487	4.7
90.64923	0.8
99.04493	4.2
108.90323	0.8
120.39645	0.9
162.03232	3.6
177.05524	3.2
203.14445	0.9
217.15961	1.2
219.17500	10.0
223.89580	0.8
245.15477	4.9
259.17276	0.9
261.17752	1.5
263.13483	1.0
263.16483	32.7
271.16843	1.3
273.18805	1.0
275.16489	4.9
277.18265	0.9
289.14481	1.2
289.17960	7.0
291.19620	34.8
293.21280	3.0
303.19650	3.0
307.15540	34.0
307.18872	3.4
307.22324	1.1
314.73346	1.0
315.19608	1.9
321.20685	100.0
333.20697	65.6
351.14349	7.3
351.17902	15.4
351.21762	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	351.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32803	0.3
51.19939	0.4
54.00153	0.3
59.01393	0.5
68.67403	0.3
80.70939	0.4
124.15617	0.4
156.92471	0.5
174.22783	0.4
203.14456	2.0
273.18610	7.3
276.91788	0.4
289.21753	49.2
307.22794	13.7
307.26157	0.8
321.20639	0.6
333.20871	3.1
351.21765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06245	0.7
70.82219	0.8
71.61114	0.9
73.80737	0.9
79.29926	0.8
80.51439	0.9
84.04536	3.4
87.93276	0.8
88.94777	0.9
90.05592	3.3
120.82343	0.9
170.96498	0.9
261.22214	15.4
279.23337	18.0
302.24878	1.8
304.26459	35.3
320.25946	23.3
352.28604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1027
Annotation	Glyceofuran
Peak:m/z	Relative Intensity
56.05056	0.6
59.01370	3.3
69.70216	0.7
70.49117	0.6
73.02927	6.0
80.90185	0.7
82.19969	0.7
101.71045	0.8
107.04980	0.8
119.04969	0.7
132.95860	0.7
160.01607	1.1
161.02434	1.6
162.03246	1.6
162.05553	0.9
177.05573	1.4
197.53116	0.7
235.13522	1.4
241.05518	0.7
253.08682	1.2
260.17984	0.8
263.07193	0.8
264.07895	1.7
267.06644	6.1
279.06668	5.0
281.08173	3.8
281.17581	4.2
282.08997	1.3
291.06488	1.7
291.15848	2.9
291.19431	0.8
292.07483	3.7
293.08243	1.0
294.05450	1.2
295.06085	12.8
309.07660	17.3
309.20776	0.9
310.08444	13.5
319.06052	3.3
320.06876	3.1
321.07596	8.9
323.05664	8.4
337.07202	18.1
338.07947	20.3
353.10300	100.0
353.15836	8.1
353.19742	4.3
360.41211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1033
Annotation	Glyceofuran
Peak:m/z	Relative Intensity
50.73699	0.5
50.78715	0.7
54.17340	0.5
57.03453	0.7
57.72058	0.6
59.01391	5.8
71.83561	0.7
78.15322	0.7
80.37885	0.6
88.73013	0.6
97.70010	0.7
116.33044	0.7
127.85739	0.7
134.03734	0.8
140.83795	0.6
142.46513	0.7
145.02936	1.5
156.58176	0.7
162.73474	0.7
206.07367	0.8
207.08128	1.2
223.07582	1.4
233.06065	1.1
234.06871	1.3
243.17696	0.9
247.17207	1.2
249.18698	0.9
251.07135	13.8
261.05515	1.0
262.06375	4.3
263.07120	14.1
263.20255	1.1
264.07935	7.6
266.09418	0.8
267.06741	1.2
275.20279	0.9
277.08670	1.5
278.09427	2.7
279.06662	40.4
282.08881	3.9
289.18106	3.2
291.19608	1.0
293.08243	3.8
294.08972	8.6
295.06116	21.9
306.05399	1.1
307.06122	14.6
307.19168	0.9
308.06915	1.1
309.20724	35.9
310.08401	5.6
321.07791	1.7
322.08429	12.8
323.05646	52.0
323.09067	3.2
337.07181	3.0
338.08008	28.8
353.10336	100.0
353.19653	41.4
353.23456	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	353.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01381	41.4
63.64430	0.9
71.01374	11.0
72.99309	2.2
73.02927	1.6
75.00877	10.7
85.02941	13.9
87.00870	2.1
89.02438	7.1
92.59183	1.0
95.01378	4.0
99.00857	9.1
101.02434	4.6
103.00360	1.3
103.04002	35.5
111.00913	1.7
113.02453	18.8
117.01959	2.6
129.01955	5.1
130.08656	1.1
161.04552	2.2
163.04048	4.9
175.02457	2.0
189.04103	1.8
194.67204	1.3
249.06160	28.4
267.07233	6.2
281.36624	1.1
335.09973	4.3
353.10938	100.0
353.14142	4.3
365.94720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97955	0.9
59.01377	7.4
65.67819	1.2
73.02937	32.2
82.32633	1.0
119.04997	14.3
134.02452	1.1
147.03406	1.3
147.04539	7.0
160.03928	1.4
162.05595	100.0
163.08730	1.4
190.05095	74.8
232.08200	1.2
233.05661	4.7
235.13348	12.9
247.17047	4.8
281.17572	28.2
291.16132	2.7
291.19522	1.4
309.12399	1.2
309.17068	6.8
335.14816	1.7
335.21216	1.8
353.11502	14.7
353.16013	59.1
353.19751	11.7
353.23160	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	353.1347
Annotation	Dinocton 6
Peak:m/z	Relative Intensity
50.58643	0.4
52.21674	0.4
57.03451	0.4
59.01385	9.1
60.01712	1.0
61.01812	0.7
69.03439	0.4
71.01382	5.6
72.01702	0.4
72.99315	2.0
73.01753	0.5
73.02952	0.9
74.33325	0.4
75.00873	7.7
76.01206	0.8
77.01311	1.1
84.41248	0.5
85.02947	9.7
86.03291	1.8
87.00848	3.1
87.03376	1.0
89.02466	1.9
95.01374	2.9
96.01711	0.7
98.87344	0.5
99.00883	4.8
101.01305	1.0
101.06080	58.9
102.06413	15.8
103.00351	0.5
103.06498	9.8
111.00865	0.8
113.02452	8.7
114.02772	2.4
115.00379	1.7
115.02916	2.5
117.01962	1.0
119.80414	0.5
129.01907	0.7
138.50446	0.5
152.01256	0.5
177.03017	0.6
233.05724	0.5
249.06064	0.5
250.06575	0.5
251.06625	7.4
269.07700	0.8
335.12491	1.0
353.13504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
70.01677	0.6
70.99995	0.4
71.01380	3.7
73.02924	0.5
77.14713	0.4
85.02947	1.1
89.02424	0.7
96.86549	0.5
101.02431	3.7
113.02451	1.1
130.51781	0.5
134.06952	0.6
161.04536	3.4
163.04021	0.5
167.03462	1.0
173.13730	0.4
181.53206	0.4
191.33934	0.5
207.05089	1.2
251.11369	7.2
293.12411	12.2
353.09024	1.1
353.14468	1.1
377.09482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1971
Annotation	Hexamidine
Peak:m/z	Relative Intensity
50.43058	0.8
50.61317	0.9
52.34079	0.9
57.03439	4.4
59.01377	9.1
68.36127	1.0
71.04983	1.4
73.02926	2.6
83.43143	1.0
87.04494	2.0
91.01878	1.1
92.18385	1.7
120.31014	1.1
129.70157	1.2
165.12761	1.9
215.14391	2.5
231.17528	2.0
233.15460	5.6
255.17671	1.6
261.18594	2.7
273.18637	1.8
275.16550	6.8
279.19550	2.7
291.16431	1.6
291.19757	6.4
309.20642	13.7
324.71890	1.4
325.20135	1.4
353.10483	2.1
353.15884	7.8
353.19672	100.0
353.23395	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	353.2122
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.86600	0.4
60.70114	0.3
62.21801	0.4
71.10647	0.4
75.74951	0.4
81.99415	0.4
163.11272	62.3
177.09195	54.0
209.71010	0.4
222.08858	0.4
313.97125	0.5
353.21213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2313
Annotation	3,3-Difluoro-5alpha-androstan-17beta-yl acetate
Peak:m/z	Relative Intensity
59.01386	100.0
63.31259	1.0
67.22088	1.0
110.87018	1.3
123.00647	5.0
126.19551	1.4
134.95399	1.2
140.50697	1.1
149.48003	1.4
201.83603	1.2
243.76689	1.3
249.23509	1.1
271.22824	76.4
336.24710	1.4
341.49057	1.4
353.23230	58.5
353.27493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3061
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
90.27265	0.7
96.95986	3.2
108.59276	0.9
128.41406	0.8
130.39557	0.8
181.16013	1.8
309.31528	2.8
353.20401	7.9
353.30612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71204	1.8
57.03452	7.5
59.01383	27.7
69.68053	2.0
71.01373	20.2
71.99736	2.0
72.99300	2.6
73.02915	2.8
73.66275	2.3
75.00871	14.7
75.93318	2.1
83.01381	2.6
85.02945	100.0
87.00860	9.8
89.02435	8.0
95.01353	3.0
99.00866	5.1
101.02419	3.4
105.00148	46.6
105.03799	4.1
110.36558	2.0
111.00885	3.8
113.02453	26.3
113.30052	2.1
119.05035	2.8
127.00375	10.9
129.01888	7.6
132.16870	2.0
146.99916	2.1
147.02939	9.5
152.01161	3.6
153.01849	2.3
157.07886	1.9
161.60310	1.9
163.04094	2.3
167.03491	9.2
169.06209	4.4
191.01944	24.8
209.03017	11.9
215.77881	2.3
240.17787	2.3
249.06126	34.4
255.26884	2.2
267.07050	22.3
325.90057	2.1
355.06915	92.0
355.10757	11.9
355.16156	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	355.0825
Annotation	G(8-O-4)Esculetin
Peak:m/z	Relative Intensity
51.84457	1.8
59.01385	11.8
63.74549	2.1
85.56783	2.1
92.18891	3.1
93.03464	24.3
108.02161	21.9
109.02945	3.8
123.00896	4.9
123.04486	28.8
124.01740	2.3
134.48497	2.5
143.05013	12.3
146.03749	3.3
154.95750	2.2
158.03749	2.4
159.04509	21.7
161.02422	11.4
174.03227	3.1
175.03986	27.2
176.04787	15.3
177.01859	2.5
187.04033	24.6
202.02719	9.8
203.03421	3.6
217.05118	4.3
219.06665	2.4
238.06345	3.4
261.04041	9.2
266.05997	16.6
267.06717	3.3
281.08243	11.2
295.06055	16.2
296.06778	4.2
311.09274	38.4
325.07150	7.6
355.08243	100.0
355.12024	8.6
355.17462	3.0
372.18332	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	355.0824
Annotation	Petalostetin
Peak:m/z	Relative Intensity
59.01376	6.5
62.58404	1.4
72.10064	2.0
79.37779	1.6
86.23869	1.4
94.71196	1.7
108.02158	35.9
123.04510	42.8
125.36340	1.8
126.07286	2.2
156.01808	2.1
162.03214	21.6
176.04803	6.9
177.01964	10.8
178.65338	1.6
191.03543	3.9
194.64590	1.6
225.05568	2.5
241.04988	2.5
253.04994	2.0
256.07333	3.1
269.04556	4.2
281.04465	2.8
284.06863	18.9
296.03253	2.6
297.04047	7.3
311.05511	12.0
312.06384	34.8
327.08667	14.1
355.08221	100.0
355.17270	2.1
355.21188	2.5
355.25046	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	355.0828
Annotation	Ophiopogonanone C
Peak:m/z	Relative Intensity
57.51210	0.2
58.01653	0.3
58.51462	0.3
59.01385	2.1
62.93263	0.2
79.00314	0.3
80.96534	0.5
101.98083	0.3
104.02708	0.6
133.02911	0.4
148.01665	8.8
176.01155	63.3
177.01936	100.0
179.07170	0.7
289.37994	0.3
311.21753	0.3
325.07224	3.4
337.07230	1.6
355.08295	27.6
355.17572	1.5
355.21283	0.6
355.25058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
50.22865	0.3
54.00502	0.3
59.01383	7.4
62.61670	0.3
68.46449	0.3
70.51417	0.3
71.01373	3.2
75.08389	0.4
84.73032	0.3
85.02930	0.9
87.00848	0.7
88.96915	0.4
89.02449	3.2
101.02428	2.3
113.02416	1.8
119.03471	0.5
132.02135	3.1
134.03732	8.3
134.91986	0.4
139.14667	0.4
149.06096	2.8
160.01642	44.6
175.03989	100.0
176.04771	1.6
178.02734	0.6
191.07040	2.5
193.05058	14.1
202.02742	0.6
217.05028	5.1
225.61937	0.4
235.06084	2.7
256.13776	0.4
265.07181	0.5
295.08295	0.8
295.11749	0.4
355.10324	22.4
355.17609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.4
61.65047	1.4
71.01377	1.9
73.02941	16.3
85.02942	2.2
165.05560	2.1
232.53391	2.3
237.15054	7.1
248.96388	2.3
267.06604	21.3
275.16473	2.4
279.06601	18.1
280.07434	7.8
282.08981	12.4
283.19077	11.2
293.17725	12.6
294.08981	19.4
295.06143	100.0
295.09421	3.4
307.06100	3.8
309.07639	3.7
310.08438	37.0
311.05481	3.4
311.18759	3.4
312.09961	2.4
322.08484	2.7
324.09949	7.3
325.07141	23.9
325.10852	30.1
337.11041	3.1
340.09515	14.4
355.08200	4.3
355.11911	80.3
355.17526	42.7
355.21225	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	355.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08407	0.6
86.09225	0.5
113.85642	0.4
124.22821	0.5
129.45148	0.6
139.06177	0.5
139.12946	0.4
147.04485	0.7
150.03198	0.8
162.03227	3.0
164.04834	0.8
175.03999	40.1
176.04774	34.4
177.05574	2.2
184.89452	0.5
189.05571	0.8
190.06354	31.9
203.03612	0.6
204.04283	12.8
208.03763	9.6
217.05043	9.6
218.05814	3.7
219.06618	10.8
222.05307	14.2
251.03523	0.6
251.07068	0.8
266.09515	1.0
267.06741	4.1
279.06619	12.7
281.08176	0.8
291.06644	11.2
292.07391	3.3
293.08148	0.9
294.08884	5.1
295.06113	29.5
296.06860	4.1
305.08109	0.8
306.09000	6.5
307.06146	36.2
307.09650	1.2
309.07715	0.6
310.08450	21.3
311.09268	14.5
321.07648	1.0
322.08438	10.6
325.10806	30.7
337.10828	36.6
355.11884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01388	4.6
65.11666	3.9
70.28387	4.1
90.56096	3.8
92.18447	5.6
108.01643	3.7
113.41128	4.3
116.93443	9.1
161.09676	7.9
163.11299	33.6
177.09241	32.1
178.09946	6.6
179.10768	74.8
191.10796	4.7
209.52036	5.0
298.15674	25.0
314.13223	4.2
337.21735	48.7
340.20468	84.8
355.22827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3218
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
50.72773	0.5
62.64981	0.5
65.60069	0.5
65.61430	0.5
81.45382	0.6
107.94931	0.6
116.00230	0.7
138.67065	0.7
141.12827	0.7
170.23820	0.6
197.19139	0.8
225.49088	0.7
309.31699	1.4
322.75101	0.6
337.31177	1.4
353.30591	3.0
355.32187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.4
68.63117	0.7
89.36524	1.0
129.10629	0.9
132.28119	0.9
134.04721	100.0
173.61212	0.8
219.96747	0.8
296.08160	6.8
356.18283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	6.0
70.98190	1.5
79.53519	1.7
92.18412	2.0
107.40364	1.9
119.04996	100.0
128.75716	1.6
134.03761	9.2
149.06030	4.0
152.07152	2.8
175.03981	2.3
176.03505	2.7
177.03012	28.6
177.04326	22.5
178.05069	2.7
188.40488	1.7
192.06647	74.2
249.50603	1.7
289.03235	1.8
296.09271	2.3
356.08148	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	357.0982
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
52.98815	1.5
56.23819	1.4
59.01377	12.2
76.72918	1.6
82.71667	1.5
121.02945	100.0
123.00909	3.2
145.06578	9.3
161.02415	3.9
163.79106	1.8
175.03996	2.5
188.04779	2.8
190.02728	3.0
205.05099	11.6
220.03787	22.0
235.06108	18.6
339.08868	17.7
357.09860	54.2
357.14261	3.4
357.19241	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	357.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
57.03183	0.3
57.03436	2.5
58.00594	0.3
59.01374	14.1
62.06625	0.3
63.08866	0.3
69.03447	0.6
71.01369	8.5
72.55176	0.3
72.99280	1.2
73.02934	1.5
75.00858	40.4
78.95884	0.7
83.01379	0.3
85.02931	6.3
87.00862	2.9
89.02431	10.8
95.01359	0.6
97.02935	1.4
99.00866	3.7
101.02421	9.6
105.78397	0.3
108.90176	0.5
111.00855	1.8
113.02436	5.6
119.03463	4.2
121.53307	0.3
127.92609	0.3
129.01920	15.1
131.03497	1.2
141.01924	2.1
143.03511	0.5
159.02962	5.2
161.04587	0.6
177.04085	1.3
177.14340	0.3
185.02158	0.4
221.06653	3.4
259.02155	0.7
318.37003	0.3
339.08627	0.3
357.10358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
73.02930	1.0
87.03358	0.8
89.30628	0.9
89.31175	0.8
93.03434	16.9
96.00397	0.7
97.42001	0.7
118.98058	2.0
120.19278	0.9
121.02934	3.6
122.05547	0.8
125.92816	0.9
141.29691	0.9
147.23265	0.8
174.48662	0.8
187.42708	0.9
297.09583	1.3
313.16650	1.1
357.11588	0.9
357.15402	1.6
357.19122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1347
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.53062	1.1
51.17508	1.0
55.64682	1.4
56.35906	1.1
57.39614	1.2
59.01379	3.2
63.82792	1.3
88.58426	1.3
90.63279	1.3
95.38506	1.6
99.04511	1.8
108.02193	1.8
123.04542	2.9
123.87240	1.6
146.03731	20.5
149.06062	5.3
150.03247	2.7
159.04495	1.8
160.05273	9.2
161.02391	1.7
161.06023	11.6
162.03195	6.7
163.03983	3.3
164.04807	21.0
165.05617	2.0
166.88889	1.7
174.03206	2.5
175.07671	1.9
176.04759	1.9
177.05576	22.4
178.06367	14.3
179.03534	11.7
179.07133	33.7
188.04811	7.2
191.07167	7.4
192.07896	6.7
194.05843	7.6
203.07173	14.1
206.05844	7.8
210.05351	2.6
221.08131	22.9
224.06877	2.3
250.82501	1.4
279.06546	2.6
281.08200	3.4
283.09805	1.9
295.09592	1.7
296.10901	2.0
297.07645	8.3
309.07706	17.8
312.10049	6.0
313.10803	3.1
323.09393	1.8
324.09921	11.6
327.12366	16.9
339.12317	18.3
357.13449	100.0
357.18903	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	357.1344
Annotation	Dihydrocubebin
Peak:m/z	Relative Intensity
57.50698	0.4
59.01378	0.9
64.51837	0.5
70.57716	0.5
84.17378	0.5
84.93767	0.5
90.61740	0.5
108.02158	14.7
109.02946	2.4
121.02944	1.3
122.03722	0.8
123.04505	24.3
134.03741	0.5
137.02446	2.6
145.02884	3.6
145.06549	0.6
146.03741	2.3
147.04501	2.0
148.05286	6.1
149.02396	2.1
149.06082	2.3
150.03185	7.0
158.03729	1.0
159.04504	8.5
160.05292	23.5
160.06624	0.9
161.02448	1.1
161.06070	6.8
162.03221	4.8
162.06859	2.2
163.03987	2.8
163.07672	0.8
164.04782	2.6
165.05547	3.2
173.06006	1.0
174.03174	10.5
174.06859	2.2
175.03995	2.6
175.07628	10.8
176.04803	5.6
177.05556	59.9
178.06348	25.1
180.04353	1.1
187.04007	9.6
188.04782	24.1
190.06383	1.1
191.07123	16.7
192.04311	2.4
192.07901	21.5
193.05130	0.8
193.08627	1.1
194.05884	0.7
201.05649	0.7
203.07138	59.3
204.84111	0.7
205.05035	0.8
206.05830	21.9
210.05321	11.3
218.05774	0.7
219.06572	3.9
220.07379	2.7
221.08176	41.5
224.06880	21.6
233.08063	0.7
241.05138	0.6
263.06973	2.3
267.06622	1.2
268.07404	12.3
269.08066	2.1
278.54495	0.5
279.06583	2.9
280.07379	2.9
281.08124	6.2
282.09055	0.8
283.09750	10.4
291.06644	4.1
292.07635	0.7
294.08923	2.2
295.09695	2.8
296.10376	4.1
297.07657	9.9
298.08438	1.0
299.12909	0.8
306.09015	1.2
309.04388	0.6
309.07684	19.1
309.11243	1.1
311.12909	1.0
312.06583	1.3
312.10007	5.7
313.07486	1.0
313.10831	17.4
321.11475	0.9
324.09952	7.4
327.08868	1.7
327.12366	23.5
339.12366	54.6
357.09772	9.7
357.13452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71757	0.4
59.01381	58.6
59.97747	0.5
61.93067	0.5
72.99323	0.8
74.02470	1.0
94.58472	0.5
113.69473	0.6
126.17324	0.6
136.65038	0.6
187.13391	100.0
189.16660	0.5
211.11522	0.5
221.79575	0.5
257.54608	0.6
290.68808	0.6
334.80542	0.6
357.20480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26053	6.7
55.61187	6.1
59.01378	100.0
65.02662	6.6
68.96130	6.7
111.83903	7.5
173.03947	7.9
222.23335	9.1
249.73434	8.4
349.07251	9.0
353.85623	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	358.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94345	0.4
59.01387	100.0
61.05619	0.4
63.76203	0.4
87.55962	0.4
95.79172	0.4
123.22999	0.4
153.29781	0.4
298.27689	0.9
359.38916	0.5
361.02927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26273	0.9
57.03439	1.2
59.01372	1.1
64.60089	0.8
68.99824	1.4
71.01381	0.9
83.01385	6.7
85.41186	1.1
90.79436	1.1
101.02402	1.0
109.02934	5.6
124.03999	4.0
125.02428	34.2
127.10509	1.1
131.04659	1.1
137.02438	1.5
149.02478	1.6
150.34126	1.0
151.00322	9.5
153.01927	100.0
177.01993	1.2
178.99872	2.0
257.07791	1.5
287.07675	1.3
291.31488	1.1
312.31766	1.0
315.07187	7.8
359.06281	31.7
359.10989	4.8
359.15781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.099
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
58.67614	0.4
59.01390	0.6
71.01392	0.8
80.55831	0.5
85.02938	0.7
95.01376	0.7
96.96941	0.6
101.02418	0.5
110.07626	0.4
111.62527	0.5
123.00876	11.7
138.03236	53.3
153.05579	25.8
166.99799	4.4
174.41531	0.5
182.02220	46.4
192.82663	0.5
197.04572	100.0
227.59612	0.5
239.05803	0.6
359.06168	0.6
359.09885	14.0
359.19580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.099
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.67061	1.0
55.04294	0.9
59.01101	2.0
59.01385	46.8
66.74916	0.9
71.01021	1.4
71.01387	21.9
72.99298	1.8
85.02950	2.3
89.02445	24.9
95.01392	1.4
98.87825	1.1
101.02442	15.3
110.60937	0.9
113.02422	8.5
119.03484	8.5
128.83980	1.3
135.04570	1.7
137.02473	1.6
139.00372	1.3
153.05569	7.1
181.01378	1.4
182.02240	7.3
196.03760	1.3
197.04605	28.0
211.06157	2.3
215.31738	1.2
239.05667	17.3
292.35953	1.3
299.07907	2.1
299.11380	7.2
359.09863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1134
Annotation	Luzonial B
Peak:m/z	Relative Intensity
53.00518	1.9
58.39523	2.0
59.01372	15.6
65.56492	2.2
108.02182	20.7
109.02946	4.0
117.03463	3.1
119.05000	87.1
121.02960	3.0
122.03742	3.7
123.00877	5.5
123.04493	24.0
124.01618	4.9
126.52527	2.2
132.05779	4.5
136.01642	5.0
145.02933	100.0
145.64053	2.6
153.05617	6.0
159.04668	2.4
161.02484	2.6
161.06081	3.4
162.03238	4.7
163.03995	96.2
164.04723	2.5
171.10210	4.2
175.04030	8.9
176.04631	2.4
177.05586	4.6
191.03436	3.0
195.06538	3.5
201.11278	4.8
202.02669	3.0
203.03563	9.2
266.85977	2.5
297.11304	6.0
311.05603	2.9
311.09204	5.8
326.07837	10.1
329.10147	20.3
341.06516	3.5
341.10275	61.6
359.07608	7.1
359.11343	97.7
359.16269	5.3
359.20773	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	359.1499
Annotation	Saccharothrixin A
Peak:m/z	Relative Intensity
59.01363	2.3
68.09097	1.0
104.98532	1.3
106.55915	1.1
108.02168	2.5
117.81903	1.2
122.03719	1.7
123.04473	4.8
135.04491	7.4
149.06035	2.2
150.03214	7.3
151.03946	1.3
155.25218	1.2
163.04022	2.5
164.04756	2.6
165.05548	5.6
171.10237	1.4
179.07146	26.2
180.07901	90.5
182.05792	1.7
183.03354	1.2
185.11810	1.7
188.73956	1.3
190.05487	1.9
191.07167	1.7
192.07721	2.3
194.05794	6.3
194.09482	9.6
195.10240	12.9
197.11790	2.2
201.11386	1.6
204.07518	1.9
205.07672	2.0
208.07408	25.7
212.06932	7.3
223.09737	100.0
226.08542	10.2
237.99579	1.1
240.34305	1.3
253.92447	1.3
269.08145	18.2
273.40744	1.2
281.08337	4.3
283.09619	9.7
295.09515	1.6
299.09125	15.7
303.86267	1.2
311.09216	29.0
314.11594	25.9
315.12238	1.9
326.11594	17.7
329.13931	45.4
331.15521	2.8
341.13831	37.9
359.14835	80.9
359.20645	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	359.1501
Annotation	Lariciresinol
Peak:m/z	Relative Intensity
59.01385	1.3
107.08705	0.6
108.02180	0.6
121.02943	4.8
122.03715	1.3
123.00897	2.3
123.04520	0.7
136.05296	2.1
137.02452	1.1
137.05983	0.8
147.04506	1.3
149.02448	1.0
150.03210	3.7
152.48120	0.6
158.03729	2.7
159.04488	7.2
160.05283	42.2
161.06036	7.3
162.03250	0.6
163.03947	4.0
164.04724	5.8
173.06071	5.9
174.06859	3.5
175.07628	40.0
176.04832	0.8
177.05582	7.3
178.06351	23.3
192.07925	11.9
193.08740	2.4
197.11827	0.8
201.11174	1.1
227.52411	0.7
314.11530	0.8
329.13947	100.0
359.07635	2.4
359.11481	1.1
359.15778	3.0
359.20749	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84684	0.4
59.01382	21.8
63.05269	0.4
86.26660	0.5
103.57697	0.5
268.14905	0.5
277.21732	100.0
359.22061	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97540	0.9
59.01369	9.6
60.68486	1.0
64.66927	1.0
65.92588	0.9
66.03488	16.3
70.42886	1.2
71.01365	6.2
72.98606	1.0
75.00875	7.9
85.02927	8.6
87.00851	2.5
93.05878	1.3
95.01380	1.8
99.00877	6.4
110.02464	78.7
113.02455	13.3
117.01926	1.8
123.36464	1.2
129.01935	1.8
180.06621	1.3
198.07643	1.9
217.22972	1.2
249.06184	22.5
267.07373	1.5
360.09357	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	360.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91833	6.9
59.01380	15.5
65.40083	7.4
67.17695	8.4
72.22389	7.6
75.84419	8.2
79.11220	7.3
85.94335	8.8
92.19079	11.3
118.52959	9.1
182.86348	7.9
253.67831	7.6
278.22006	100.0
330.67853	9.4
360.22589	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	361.0565
Annotation	3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone
Peak:m/z	Relative Intensity
52.62732	0.9
55.79812	0.9
59.01378	2.0
85.52571	1.4
85.54384	1.1
92.18373	2.7
92.93838	1.2
100.11578	1.3
105.35433	1.3
112.45858	1.3
151.00372	5.8
152.01164	5.5
153.01921	2.1
177.01924	5.3
187.03996	1.4
189.01907	1.4
199.03923	2.0
201.01894	12.0
202.02679	3.0
214.02716	6.2
215.03479	5.8
217.01477	2.1
217.69896	1.4
226.02689	2.8
229.01457	20.4
229.05077	11.0
230.05853	2.3
231.02899	5.1
242.02164	2.7
243.02963	53.7
245.00929	5.1
257.04721	1.6
258.01663	29.3
259.02441	11.3
269.01031	1.5
270.01657	3.2
271.02499	7.9
273.04276	1.8
274.04932	3.2
285.04062	6.8
286.01163	2.9
286.04733	1.4
287.02203	2.8
287.05606	15.6
301.03525	10.4
302.04376	8.1
313.03409	9.2
314.00769	2.1
317.06674	36.1
317.17752	1.9
328.05817	5.4
329.02994	2.8
346.03232	2.2
355.30588	1.4
361.05658	100.0
361.16489	12.6
361.20493	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0934
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
59.01380	2.2
88.31786	0.6
92.18488	0.8
93.03494	0.6
99.46973	0.6
126.85660	0.5
143.07176	0.7
143.64711	0.5
145.97189	0.5
164.07199	0.6
191.03458	3.9
196.13831	0.5
215.03441	0.6
229.33029	0.5
231.03069	1.2
242.05818	0.7
243.03114	0.9
244.03824	2.3
247.02469	1.1
257.04828	1.1
258.05338	8.4
259.02335	0.7
259.06134	25.5
261.04056	3.5
269.04477	0.6
270.05487	3.0
273.07727	2.3
283.02673	1.2
283.06039	1.2
284.03284	4.1
297.04044	1.1
298.04840	39.6
299.05667	13.4
301.03601	0.8
313.07242	29.8
313.10901	1.2
315.05112	0.9
316.05896	6.1
331.04999	0.7
331.08255	40.1
361.09341	100.0
361.22141	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	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09413	0.8
55.93230	0.9
59.01101	1.8
59.01377	37.3
71.01370	8.6
72.97513	2.3
73.02938	3.9
77.72015	0.9
80.34628	1.1
85.02897	3.7
89.02425	1.4
101.02424	7.9
113.02449	7.5
113.97398	0.9
121.02966	1.7
122.99954	2.0
123.00858	47.3
124.01630	8.0
125.02383	0.9
126.04485	1.0
137.02454	4.8
138.03212	100.0
139.03995	23.6
141.41470	0.9
142.04248	1.0
147.11859	1.0
149.02435	1.3
151.03951	1.6
159.02951	1.5
161.04538	16.3
163.03946	1.4
166.02698	2.0
181.05080	6.8
193.05099	2.0
214.77202	1.0
236.28850	1.1
301.09271	82.3
331.69864	1.0
361.07736	2.2
361.14990	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1659
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
53.32196	2.2
58.88305	2.4
59.01383	9.1
63.41213	1.9
75.27628	2.2
77.15306	2.1
79.14902	2.4
81.03466	2.4
83.38566	2.3
87.04510	27.7
87.82669	2.1
112.93923	2.5
114.96406	2.7
115.55859	2.6
125.06111	2.9
127.40731	2.7
148.05380	3.0
163.07686	3.6
176.04845	5.4
191.07193	17.4
201.12953	5.0
215.14391	18.1
235.06131	18.1
245.19057	13.6
255.17725	3.0
271.17004	5.3
273.18613	20.2
289.18253	4.8
289.59576	2.7
299.16510	3.5
317.17581	21.4
331.78641	2.4
361.12851	14.1
361.16672	100.0
361.20663	5.2
361.23752	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	361.1659
Annotation	Gibberellin A65
Peak:m/z	Relative Intensity
53.50959	0.9
53.90311	1.0
56.83505	0.8
57.40729	0.9
58.49747	0.9
59.00175	1.0
59.01376	5.2
60.73178	1.0
63.16239	1.0
66.38524	1.1
69.43517	0.9
69.74837	1.1
71.01374	2.4
71.29962	1.1
73.02930	6.4
92.36633	1.2
109.02922	4.2
118.31147	1.1
121.02933	10.0
122.03725	16.7
123.00913	1.6
123.04530	1.7
124.01649	1.4
128.50690	1.3
134.03816	1.2
135.04477	1.3
137.02448	2.1
147.04456	3.6
149.02457	2.7
153.09219	5.0
155.28865	1.0
165.05560	31.4
166.99908	1.4
168.00627	2.7
179.07166	8.7
181.01445	1.9
182.02206	4.4
183.02954	8.1
193.01447	1.8
201.11353	1.5
209.11839	1.3
215.14435	1.8
223.09619	1.4
232.68559	1.5
241.79350	1.2
259.17059	6.0
271.16998	11.8
289.18121	100.0
307.18872	1.1
315.12509	4.6
317.17615	13.3
331.68146	1.3
346.14267	7.7
361.10074	7.9
361.16580	81.4
361.22113	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	361.1662
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
59.01381	19.7
75.09340	1.3
83.72591	1.4
92.18318	1.4
103.52371	1.2
111.04519	5.5
123.08147	1.6
186.39272	1.5
190.48807	1.4
203.30336	1.4
213.03299	1.2
227.62061	1.3
231.17514	1.8
257.15512	6.7
271.17117	7.3
273.18628	40.4
289.18030	2.8
299.16495	36.3
301.17987	1.9
317.17606	8.7
325.20120	5.9
361.16556	100.0
361.20389	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	361.166
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
50.62201	0.9
59.01381	67.0
63.34296	1.1
80.74025	1.1
107.98310	1.1
112.47634	0.9
180.11380	1.0
183.79243	1.3
250.37047	1.2
255.17570	4.6
273.18631	38.3
274.92239	1.1
317.17587	100.0
325.20160	2.0
353.06827	1.2
361.16635	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	361.202
Annotation	Triptolide Analog
Peak:m/z	Relative Intensity
53.94022	0.4
58.64796	0.4
59.01368	2.1
73.50881	0.4
76.00368	0.5
79.95759	0.7
80.81080	0.4
81.80547	0.4
148.96986	0.4
187.16151	0.4
257.19186	2.9
285.18549	1.0
315.19653	2.0
317.21283	3.4
331.19156	0.6
361.20212	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	361.2019
Annotation	4,5alpha-Dihydrocortisone
Peak:m/z	Relative Intensity
50.31544	0.2
51.10648	0.2
59.01376	100.0
70.37228	0.2
78.95560	0.2
96.42816	0.2
122.64450	0.2
144.96625	0.3
196.34488	0.3
212.70120	0.3
253.16029	0.4
271.17010	7.2
301.18069	6.0
325.20245	0.2
331.19153	3.7
361.16275	0.5
361.20157	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	361.2024
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
50.23326	1.2
54.15165	1.4
57.06105	1.4
59.01374	3.9
81.42670	1.4
109.91064	1.7
119.02779	1.7
139.65727	1.6
156.26349	1.7
174.96080	1.6
191.88818	1.7
197.93326	1.6
227.38823	1.6
241.16006	9.1
267.17542	13.8
269.15408	2.9
270.16461	2.2
285.18698	8.2
297.07098	1.6
329.17520	2.3
361.20206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
59.01377	11.2
62.27074	1.1
72.93118	1.0
83.05023	15.8
85.02928	2.2
87.04482	9.2
93.03419	1.3
101.06063	6.7
104.05083	1.1
121.02894	1.5
123.08083	1.6
123.38400	1.7
124.05313	2.0
127.11222	1.3
135.04515	3.1
150.03185	9.6
153.09160	1.8
165.05553	12.3
171.10243	27.1
181.05009	1.6
195.06662	3.0
201.11316	10.4
237.14922	6.3
255.16055	1.4
273.17178	6.4
313.10745	2.1
315.75119	1.6
317.17578	1.9
343.08218	1.5
351.76288	1.4
361.12936	6.9
361.16806	9.1
361.22296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18321	0.5
59.01375	100.0
68.76723	0.5
80.16694	0.5
81.49058	0.5
92.18378	0.7
98.47276	0.5
106.41338	0.5
118.35783	0.6
171.76738	0.5
301.16638	2.3
360.81769	0.6
361.23737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67659	1.2
59.01386	2.0
61.98824	3.1
69.23186	1.3
77.79068	1.3
78.97257	1.4
93.70532	1.7
99.02090	1.6
116.05035	100.0
140.65042	1.6
141.04546	3.4
219.97714	2.5
245.07158	83.5
343.11185	3.6
344.11972	6.2
362.08466	1.7
362.12924	41.6
362.17087	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	362.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66606	0.6
58.88194	0.6
59.01391	100.0
66.44903	0.7
101.00357	0.7
129.63220	0.7
140.07190	85.6
147.13542	0.8
272.15469	0.8
274.07196	0.8
302.12445	13.3
362.14539	3.0
378.48410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62004	0.5
59.01368	4.6
71.01367	1.0
77.26031	0.5
80.05031	0.7
87.00855	0.8
89.02438	2.5
98.69422	0.6
108.02155	10.2
113.02454	0.9
121.02974	2.1
122.03750	3.7
123.00866	0.8
123.04504	17.1
137.02415	0.7
149.02428	8.8
150.03200	70.2
151.03946	0.8
152.01137	30.4
162.03127	0.8
164.04790	6.5
165.05544	100.0
167.03470	67.4
177.05530	0.8
179.05620	1.0
180.04224	8.1
195.06610	49.0
256.07333	1.3
257.09164	0.8
277.94675	0.7
315.08661	6.1
319.08948	2.5
363.11133	4.4
363.17572	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	363.1299
Annotation	Pyridaben
Peak:m/z	Relative Intensity
51.34781	0.8
52.68899	0.8
59.01381	17.1
59.90453	0.8
62.59425	0.8
69.03442	1.2
71.01369	13.2
72.99288	1.8
73.02935	8.0
75.00865	14.2
81.03432	1.5
83.01344	1.0
85.02943	20.6
87.00862	4.9
87.04484	4.1
87.70880	0.8
89.02422	6.4
95.01367	4.9
99.00880	8.1
103.00300	1.1
113.01723	1.2
113.02434	24.9
113.06071	32.1
115.00341	1.3
117.01898	1.8
129.01886	2.3
150.03136	1.1
157.10205	1.4
173.09621	1.0
174.83170	1.2
175.02351	1.1
219.11644	1.8
221.13370	8.0
222.87682	1.0
227.10805	1.2
239.14334	5.9
245.11760	4.5
249.06190	12.3
255.17203	1.2
257.15536	7.9
267.07184	24.0
275.09158	2.4
282.88937	1.1
289.14313	4.0
301.14542	1.2
319.08136	2.3
319.18921	1.5
363.13043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.0
59.01376	21.3
67.37759	1.8
71.05006	7.9
85.02946	10.3
87.04513	2.0
87.36214	1.9
97.02953	2.5
114.51743	2.2
119.08650	4.2
123.08144	15.8
137.09727	4.9
163.07571	1.8
171.10236	26.7
175.11250	3.2
175.14854	2.8
189.12848	22.1
211.13457	17.1
213.50267	2.3
219.10332	4.1
219.17581	3.6
221.11839	3.1
229.14368	9.7
239.12808	2.3
247.16983	21.2
257.18997	12.3
259.17050	10.3
275.16574	4.5
285.15128	2.2
291.16214	17.8
291.19202	3.4
301.18130	38.2
319.15500	4.9
319.19104	26.5
327.21768	100.0
345.17114	3.2
363.14401	77.9
363.18204	90.6
363.21835	4.3
363.22803	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1452
Annotation	Vernomygdin
Peak:m/z	Relative Intensity
57.03463	1.5
59.01382	17.1
62.50892	1.2
63.28698	1.5
71.01391	7.7
72.49561	1.3
72.99310	1.5
73.02940	20.8
75.00876	3.9
85.02965	3.3
87.04526	7.5
95.01392	3.0
99.04501	2.1
113.02408	13.0
113.06083	23.8
129.42169	1.4
129.88750	1.7
151.04053	1.8
153.33603	1.6
157.10274	2.4
167.03497	1.9
173.09674	1.7
176.71527	1.5
183.07082	1.6
206.01959	1.9
215.07211	3.3
216.74461	1.5
219.11865	7.2
221.13329	13.7
239.14449	20.5
245.08261	3.8
245.11919	6.2
249.06274	6.2
257.15445	26.1
260.06900	14.4
267.07333	9.1
275.09296	19.1
289.11267	2.7
289.14343	13.3
301.14606	7.5
319.08401	8.0
319.15771	3.6
319.19202	2.2
363.14438	100.0
363.18274	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	363.1453
Annotation	Ailanquassin A
Peak:m/z	Relative Intensity
59.01375	2.3
71.05022	2.5
71.17204	1.7
85.94611	1.6
87.04504	14.7
90.38648	1.9
99.04501	2.5
109.06562	2.1
149.09804	2.2
155.10463	1.8
175.11314	6.5
231.17532	3.4
273.15103	3.2
275.16544	73.5
301.18225	2.4
303.15790	2.1
319.15527	24.8
319.19089	6.2
337.16687	3.3
345.17133	3.6
363.14444	100.0
363.18338	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	363.1815
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
54.18698	0.4
59.01375	3.7
78.41468	0.5
83.05032	4.0
87.04504	2.0
92.18434	0.7
117.52667	0.5
123.08144	0.9
136.90526	0.4
183.13896	1.8
188.23125	0.5
190.23697	0.6
241.15964	1.9
257.19031	3.6
273.18652	1.2
275.20175	6.6
285.15067	5.0
301.18088	60.8
319.19061	15.8
327.21756	5.8
345.17023	2.8
363.18137	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	363.1813
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
55.56274	0.4
56.15499	0.4
57.03436	2.2
59.01375	4.3
59.42959	0.4
71.05009	2.6
80.19867	0.5
82.15864	0.4
85.06582	1.2
95.68894	0.5
99.04517	1.0
105.07108	0.7
109.06590	3.4
118.69436	0.5
119.08628	6.7
123.08145	18.9
125.09742	0.7
135.08136	2.7
137.09703	0.7
148.68750	0.5
151.11375	0.5
153.23788	0.5
160.01698	0.5
175.03880	0.5
175.11218	1.2
189.12846	7.5
201.61565	0.6
215.17982	0.8
219.10252	2.0
219.17564	2.1
229.16147	1.6
241.16089	1.9
247.16982	8.4
249.25941	0.6
257.16571	1.1
257.19113	14.9
259.17023	13.4
275.16507	0.9
275.20245	1.0
285.15436	0.6
291.16010	4.6
301.18079	42.6
303.15964	0.7
319.15582	0.6
319.19104	2.1
327.21793	3.0
345.17062	0.9
363.14359	24.1
363.18237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1816
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
55.36575	0.9
59.01371	6.0
63.04732	0.9
75.00837	1.1
87.04559	1.3
92.18707	2.8
109.25832	1.1
109.33337	1.0
112.16323	1.1
121.37910	1.0
140.44429	1.1
163.19817	1.2
171.10222	1.7
201.11339	1.7
208.73770	1.2
241.16022	6.0
245.19215	1.5
255.17535	2.0
257.19141	10.5
275.20264	8.2
301.18076	35.8
319.19116	21.3
327.21829	2.7
345.17059	14.4
363.18152	100.0
363.23413	6.7
383.39658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1818
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
50.21996	0.4
55.01870	0.5
59.01387	7.8
59.93451	0.4
71.65708	0.5
74.43073	0.4
85.06580	0.7
105.07098	0.5
108.64754	0.4
109.06591	3.1
113.02176	0.4
113.07428	0.4
119.05029	0.4
119.08673	5.2
123.08159	16.9
125.09743	0.9
127.44932	0.5
135.08162	1.8
151.11276	0.6
171.10211	0.5
185.90582	0.5
215.18053	0.8
239.17920	0.8
241.15968	1.8
245.10243	0.5
257.19147	14.8
259.17047	14.3
275.20370	0.6
291.19781	0.6
301.18124	40.5
303.15964	1.1
303.19296	0.7
319.19168	2.7
327.21722	1.0
345.17197	1.0
350.38074	0.5
363.18179	100.0
369.09698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32784	39.1
59.01386	100.0
61.52275	40.2
78.69572	45.0
97.16028	50.9
102.15896	47.2
328.92792	48.8
363.13055	62.4
363.25412	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	363.2542
Annotation	Ciprostene
Peak:m/z	Relative Intensity
59.01387	0.6
61.71354	0.4
61.98829	0.4
63.72845	0.3
83.05035	0.4
90.10608	0.3
107.03635	0.4
133.41501	0.3
151.11281	0.7
165.12814	0.7
219.21082	0.4
228.18179	0.3
231.15968	0.3
256.02911	0.4
261.18509	1.3
301.25259	0.6
319.26367	0.4
345.24298	3.9
363.25409	100.0
376.69547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60270	0.6
57.49918	0.4
59.01381	11.3
65.04623	0.6
94.19411	0.5
95.62084	0.6
98.84747	0.7
108.66372	0.7
138.97108	0.6
160.97736	0.6
186.00470	0.6
199.39557	0.6
279.23282	4.4
281.24857	100.0
293.24918	1.1
315.96890	0.7
319.27563	6.0
320.25919	41.1
321.25540	7.0
335.88129	0.8
363.26163	87.7
388.88031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99230	0.4
59.01374	0.9
61.98826	5.1
64.58681	0.5
70.02981	0.6
78.95891	25.0
86.02422	0.6
87.31828	0.6
92.18335	0.5
95.58334	0.5
96.96030	11.0
96.96942	100.0
99.04488	0.9
111.72102	0.6
130.03337	1.1
132.18846	0.6
146.08218	14.3
217.11914	2.9
276.29236	0.6
277.12173	2.8
277.51147	0.7
304.10254	0.7
364.15536	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24520	0.9
57.26308	1.0
59.01374	22.8
71.01369	10.3
85.02944	1.2
89.02447	9.8
92.18353	1.8
93.44021	1.0
94.51878	1.2
101.02420	8.7
113.02438	5.0
116.07156	28.8
119.03504	2.1
124.07635	2.2
140.10818	18.4
184.09772	100.0
364.16080	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	365.114
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
58.00587	0.9
59.01378	9.5
71.01389	0.8
73.02950	1.5
73.67966	0.6
74.26667	0.6
87.04553	1.1
109.06580	0.8
113.06105	1.1
123.08152	0.9
133.02904	0.9
134.03752	10.4
135.08156	1.4
137.09697	2.5
140.71883	0.6
146.02493	1.5
147.03271	18.4
147.04372	1.3
148.04044	1.2
149.06039	7.3
153.09224	4.0
159.03261	5.8
160.01723	3.1
160.04012	32.4
161.02437	0.9
161.04871	1.1
162.05589	1.3
165.09262	0.9
172.04010	11.7
173.04846	3.8
173.56021	0.8
175.03970	5.2
188.05910	1.4
189.06694	62.5
192.06647	8.9
201.02589	4.2
203.05843	0.8
204.06650	0.8
215.04646	4.1
243.17499	0.9
245.19127	1.0
257.19177	1.5
261.18552	0.8
267.17468	0.8
273.18671	5.2
275.16998	1.3
275.20230	8.2
285.18695	6.9
291.19693	1.5
301.18231	3.0
303.19666	11.2
305.17642	1.2
319.19214	1.2
321.20749	5.2
337.20395	0.9
365.11517	100.0
365.19626	94.5
368.51462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71713	0.8
56.75258	0.9
56.89614	1.0
59.01386	14.5
69.03426	0.9
69.53024	1.0
71.01375	10.4
72.40441	1.0
72.99302	1.8
74.06895	0.9
74.41903	0.9
75.00869	9.3
83.64335	0.9
85.02934	12.7
87.00874	4.5
89.02452	4.2
95.01398	1.4
99.00874	4.6
113.02434	13.9
115.00310	1.1
115.07634	89.5
117.01946	1.5
151.03993	2.5
153.72322	1.1
249.06163	10.6
261.18637	3.9
273.18445	1.5
275.16534	1.3
300.10236	1.1
303.16144	1.7
305.17590	2.3
321.17206	1.5
321.20734	1.4
365.14615	100.0
365.19699	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08635	1.7
57.03446	100.0
59.01376	79.7
59.01682	2.2
63.76665	1.5
67.36686	1.4
71.01367	16.7
73.02942	10.3
75.90644	1.8
83.01355	3.8
85.02934	4.0
89.02433	4.1
97.02906	1.8
99.00854	3.3
99.04504	76.4
101.02413	47.2
109.02936	1.6
113.02444	14.0
113.03591	1.6
115.03954	1.5
125.02422	23.8
127.00381	3.9
143.03438	3.2
157.06419	1.6
158.81465	1.7
161.04588	13.1
161.05801	1.5
162.03210	11.4
162.76021	1.8
165.05560	2.7
175.28139	1.6
177.05495	11.6
213.46587	1.9
221.10268	47.7
262.15247	1.7
263.11325	11.3
303.14493	3.2
321.09827	1.9
365.09393	5.1
365.14526	41.8
365.19434	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1605
Annotation	Paecilomycin F
Peak:m/z	Relative Intensity
52.95084	0.5
58.00583	0.9
59.01381	9.3
60.99300	0.5
71.01371	0.9
72.99298	0.7
73.02937	4.2
75.00839	0.7
84.86356	0.7
85.02967	0.7
99.04578	0.9
113.02453	1.1
114.33849	0.6
115.07646	3.4
124.42397	0.6
135.08122	0.6
153.09166	0.6
187.11299	1.1
194.88580	0.6
199.30415	0.6
205.16032	2.9
227.14433	1.4
233.15424	1.4
235.13307	0.8
241.16086	1.2
243.17514	59.2
257.15460	1.0
259.13239	0.6
259.17087	3.7
261.18634	3.7
273.11179	0.8
277.18066	3.7
287.16525	1.1
291.12308	5.0
291.15512	0.8
293.21274	3.5
303.16049	5.3
303.19647	12.3
321.17001	6.5
321.20670	1.9
347.14926	1.2
347.18689	2.2
365.15857	55.3
365.19742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1611
Annotation	Tagitinin B
Peak:m/z	Relative Intensity
54.41076	0.9
59.01394	8.3
85.02982	1.6
93.20089	1.1
104.76231	1.1
106.88435	1.0
107.05036	6.5
109.06593	4.7
121.06589	1.7
123.04478	1.1
123.08173	4.9
127.60178	1.1
135.08197	1.6
179.07152	2.2
203.42836	1.1
209.29407	1.1
233.19173	13.0
259.17047	8.4
275.16818	1.4
277.18130	61.4
301.17926	1.1
303.16299	2.2
303.19739	5.4
319.19327	1.3
321.17191	23.6
321.20703	4.8
347.18604	2.1
365.15997	100.0
365.19830	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	365.1605
Annotation	Paecilomycin F
Peak:m/z	Relative Intensity
52.62242	0.6
54.50565	0.6
57.03448	2.6
59.01387	8.7
60.75407	0.7
65.02550	0.7
66.09553	0.6
71.55307	0.7
72.99297	1.0
73.02938	1.6
75.00860	1.3
83.05015	1.1
87.04517	1.4
89.86729	0.7
90.56035	0.8
97.08582	0.8
99.04459	0.8
108.91324	0.7
109.06564	0.9
113.06066	1.0
122.03712	3.9
123.08144	3.4
149.09680	1.5
150.79121	0.8
151.07600	0.8
157.02505	0.8
189.12845	1.6
201.12856	1.1
217.15985	9.4
231.17509	1.0
233.19055	3.5
235.13283	0.9
245.11887	0.8
249.40636	0.8
259.14273	1.3
259.17020	32.5
261.14908	4.1
273.18542	1.5
275.20227	1.0
277.17902	3.5
285.15277	0.9
285.18600	2.9
301.17819	1.3
303.16016	14.2
303.19678	5.5
305.17569	1.3
319.19196	7.1
321.17053	4.1
321.20578	2.0
335.19067	1.1
347.14963	8.3
347.18747	2.7
348.45926	0.7
365.15921	67.6
365.19724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1971
Annotation	Gibberellin A42
Peak:m/z	Relative Intensity
56.72532	0.3
59.01385	4.7
71.04992	0.4
81.03477	0.4
82.00239	0.3
96.96019	0.7
99.04525	0.6
123.08137	0.6
137.09758	0.7
169.83331	0.4
190.02303	0.4
231.17557	2.4
247.20650	1.5
249.99896	0.5
259.20706	0.6
259.23434	0.5
261.18646	2.2
269.15668	1.3
273.18637	11.7
275.20279	0.9
277.18085	0.5
280.37482	0.4
287.16464	5.7
291.19794	0.7
293.17657	0.8
303.19678	37.2
317.17923	0.6
321.20676	9.4
347.18677	5.1
365.19733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1969
Annotation	Pachyclavulariaenone G
Peak:m/z	Relative Intensity
52.05222	0.3
52.55466	0.3
58.00588	1.6
59.01370	2.1
69.03442	0.6
72.99352	0.3
73.02934	1.7
83.05014	0.8
87.04491	0.8
99.04496	0.5
103.86797	0.4
113.06081	2.9
123.88147	0.3
125.09678	0.6
134.03751	1.5
137.09674	0.5
147.03206	2.8
149.06044	0.4
160.04021	4.1
172.04025	2.2
175.03993	0.6
189.06677	7.1
191.14554	0.5
192.06789	0.7
219.13919	0.4
239.18034	0.5
245.19101	4.4
255.17493	2.0
257.15436	0.6
257.19067	2.2
261.18634	1.3
263.20081	0.5
273.18604	4.4
275.17068	0.6
275.20163	10.8
285.18542	3.8
287.16653	0.8
291.19669	1.5
301.18130	2.1
303.19635	8.7
311.61520	0.4
319.19162	0.7
321.20569	0.8
335.18402	0.5
337.20212	1.9
347.18695	0.6
365.11514	11.0
365.19678	100.0
387.49411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1964
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
53.19036	0.3
57.03447	0.4
58.00585	0.4
59.01376	5.2
60.99291	0.8
66.54700	0.3
71.01374	0.5
73.02963	0.5
80.96507	0.4
83.05045	0.5
89.02447	1.7
99.04497	0.7
114.56838	0.4
116.92856	0.4
127.34739	0.4
133.10110	0.4
134.03754	0.4
134.58966	0.5
135.08183	0.9
142.41106	0.4
151.03970	0.6
163.11237	0.4
165.05606	0.5
175.11292	1.7
175.98982	0.4
193.05064	0.6
202.02754	1.6
203.14455	0.4
205.15962	0.8
227.14304	1.4
229.15836	0.4
235.13339	0.5
241.16080	1.8
243.17506	41.4
259.17062	2.1
261.18655	3.8
273.18552	1.6
275.20010	1.6
277.10815	0.4
287.16467	1.6
291.19510	0.6
293.21225	3.5
303.16199	1.1
303.19614	13.5
305.17575	0.7
317.24261	0.4
321.13235	0.5
321.16800	0.8
321.20532	0.5
347.18509	2.1
365.08640	2.6
365.16013	7.2
365.19693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1966
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
59.01381	4.8
61.57396	0.4
68.38115	0.5
74.23241	0.5
87.42252	0.5
90.55117	0.4
94.80698	0.6
97.06596	2.2
102.37136	0.5
141.34386	0.5
152.49165	0.6
167.79402	0.5
201.02631	2.2
205.12314	0.8
233.19173	0.7
257.15515	4.9
273.18558	2.3
285.18634	0.8
287.16528	4.5
301.21841	0.6
303.19635	43.6
321.20700	11.7
347.18466	3.4
365.19662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1967
Annotation	Gibberellin A42
Peak:m/z	Relative Intensity
53.17041	1.8
59.01373	26.0
66.02185	1.8
75.68716	1.8
92.18839	2.2
104.59209	2.0
127.02600	1.9
137.06094	2.3
195.19019	1.9
195.28821	2.1
196.98180	2.0
201.02493	29.3
238.30995	2.3
259.16946	2.7
283.02737	3.5
287.16528	5.0
303.19656	60.6
305.08206	4.7
321.11267	8.4
321.20721	12.3
365.15353	4.7
365.19672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06836	40.2
59.01393	100.0
61.21828	42.8
67.45092	43.8
72.16129	45.4
83.02529	75.1
92.65669	64.1
145.75406	54.6
149.68919	51.4
150.46155	50.6
154.72890	51.0
163.95319	61.9
167.04117	46.7
171.06734	54.4
222.40079	50.4
253.21681	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	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.11999	1.5
51.80694	1.1
58.29856	1.2
59.01380	8.2
85.06601	2.1
100.12572	1.5
105.96304	1.6
201.02568	12.2
277.21677	1.6
279.19635	26.7
316.96881	1.7
347.26025	7.5
365.22595	3.6
365.27008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	15.4
70.48938	12.6
74.37035	10.7
146.46848	14.4
201.20108	13.4
365.26904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26780	0.1
59.01381	100.0
68.02531	0.3
72.68555	0.1
75.51723	0.2
80.96535	0.2
84.91943	0.1
92.35266	0.2
100.11536	0.2
140.53653	0.2
144.17311	0.2
148.75420	0.2
223.08922	1.7
286.43713	0.2
366.15768	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	366.2649
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
54.81906	0.9
56.51170	0.9
59.01358	1.0
60.20883	0.6
60.35387	0.7
60.99295	1.1
64.00350	0.7
72.00868	0.7
72.04536	1.3
74.02470	56.5
76.64595	0.8
83.66509	0.8
84.04537	1.1
84.85091	0.8
104.03544	12.2
127.64965	0.8
131.53537	0.9
133.59024	0.9
136.54079	0.9
169.93768	0.9
185.10707	1.0
261.22281	6.1
290.24756	1.1
292.26611	1.0
304.26443	16.2
315.78442	1.0
318.24490	12.3
336.25513	16.0
353.83075	0.9
366.26501	100.0
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	Cnidioside A
Peak:m/z	Relative Intensity
54.80362	0.5
56.63279	0.6
59.01379	3.4
67.01890	2.9
71.01377	3.8
81.03469	0.8
85.02908	0.9
93.03447	18.7
99.60107	0.7
111.04515	6.3
117.03461	0.9
134.03738	20.2
137.02458	6.3
149.06152	0.9
155.03485	3.1
163.19090	0.7
173.04547	100.0
181.16525	0.7
191.05667	4.5
193.05077	18.2
332.35101	0.7
356.72296	0.7
367.10391	16.1
367.17340	1.8
367.21332	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04107	1.0
57.45584	1.1
59.01384	10.4
64.07655	1.1
64.94903	1.3
86.13600	1.4
98.69506	1.6
113.09720	9.4
143.67795	1.4
149.08168	1.5
165.70323	1.4
185.11850	5.7
203.02513	2.0
226.50609	1.4
293.21225	100.0
306.05356	8.5
307.06180	7.1
321.07709	24.0
322.04916	3.0
335.09180	1.9
336.10074	5.9
337.07138	17.2
337.10703	2.5
352.09625	2.6
367.11887	21.5
367.16025	2.2
367.21146	11.9
367.25003	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10965	0.4
50.38023	0.4
57.03444	0.8
59.01379	27.8
69.03446	0.5
71.01371	7.8
72.99296	2.3
73.02927	3.9
74.33575	0.4
75.00465	0.6
75.00869	9.5
83.01402	0.5
85.02944	13.7
87.00847	4.0
89.02440	3.3
95.01364	3.1
99.00891	5.0
99.04527	0.6
101.02393	0.6
103.00368	0.8
113.02435	18.5
115.00325	1.0
115.03997	2.5
117.01910	3.3
117.05563	29.1
129.01944	2.0
131.03455	0.5
146.10443	0.5
154.22124	0.5
160.04016	1.7
161.04393	1.0
175.02507	0.7
189.04120	0.7
205.07248	0.8
231.05243	2.5
249.06139	30.7
267.07184	3.7
309.08401	4.0
349.11307	2.8
367.12454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1759
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
58.13737	0.4
58.38718	0.5
59.01102	0.8
59.01374	13.8
65.12873	0.5
83.05015	1.4
85.02929	0.6
87.04504	4.7
98.06316	0.6
124.16332	0.8
137.09689	0.8
137.51540	0.6
146.51512	0.6
161.19780	0.6
205.12334	1.3
225.12740	0.7
227.14432	1.3
228.79672	0.7
233.15175	0.6
235.13406	0.8
243.17503	7.6
245.15599	1.3
258.51599	0.7
259.17032	0.9
263.16501	0.7
269.12680	0.6
280.19778	0.6
287.16473	5.9
287.19809	1.0
289.17999	0.8
293.17560	12.5
300.63300	0.7
305.17502	2.5
308.16077	0.8
323.15128	0.8
323.18628	3.6
334.66940	0.6
337.16501	3.3
349.16394	1.1
349.20160	2.3
367.17389	24.8
367.21228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1763
Annotation	2alpha-Hydroxytirotundin
Peak:m/z	Relative Intensity
57.03459	0.8
58.00580	0.4
59.01378	4.7
59.16599	0.3
70.02763	0.4
71.01355	0.4
72.99313	0.7
73.01947	0.4
73.02917	0.4
80.02206	0.4
83.05004	0.8
85.02927	0.6
86.47157	0.3
87.04505	2.7
99.04498	0.5
105.86648	0.3
107.04971	0.4
113.06059	0.5
123.08160	0.6
131.08406	0.3
134.02303	0.4
135.08179	0.5
137.09723	6.4
153.09245	0.6
165.09230	0.7
179.30949	0.4
181.08713	1.7
191.10780	0.4
191.14453	0.5
217.12337	0.5
243.17699	0.4
245.18942	0.6
247.20671	2.4
257.19193	3.3
259.16907	0.5
261.18539	0.5
263.16504	2.4
273.18689	2.1
275.16574	1.6
275.20151	6.5
277.21655	0.8
279.19666	2.3
287.16501	2.0
287.20151	1.6
295.22720	1.6
301.18079	0.7
303.15991	3.0
303.19626	1.9
305.17551	3.8
305.21240	5.0
319.18976	0.6
321.20609	1.5
323.18643	42.4
331.19165	2.5
337.20325	0.4
349.16553	0.5
349.20218	4.4
367.17389	25.7
367.21252	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	367.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70880	0.6
57.03426	0.7
57.32830	0.6
58.81494	0.7
59.01376	11.7
63.46840	0.7
64.42116	0.7
66.45177	0.7
71.05005	1.8
73.02953	0.9
76.03775	0.7
79.42246	0.8
81.58205	0.8
99.04515	4.6
101.06069	2.0
121.06593	1.0
122.59516	0.8
151.07721	0.9
153.09155	1.6
191.14507	0.8
234.46629	0.9
239.94289	0.9
259.16663	1.1
261.18661	1.0
271.17023	1.2
287.16336	1.6
289.18109	5.3
291.16257	1.3
291.19681	3.1
301.18027	1.5
303.19528	1.0
305.17551	3.1
305.20938	1.9
307.19159	31.0
309.20660	3.7
313.17984	1.0
319.19131	3.9
321.20862	1.0
323.18616	1.4
323.22034	0.9
329.17670	1.5
331.19165	4.8
337.20187	100.0
349.20178	67.1
351.74252	0.9
367.17487	9.2
367.21301	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44410	0.2
54.31569	0.2
59.01380	0.7
72.45151	0.2
83.05008	0.2
90.13556	0.2
113.06065	0.4
153.09300	0.2
164.95212	0.2
178.56454	0.2
231.17540	0.3
271.16968	0.3
273.18573	0.2
285.18558	2.1
287.16718	0.3
287.20139	0.4
289.17670	0.2
293.21182	0.4
303.19690	1.3
305.21176	2.6
323.18585	0.4
331.19263	1.9
349.16534	0.3
349.20233	4.8
365.19650	2.0
367.21286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.00597	0.5
59.01387	3.4
69.03476	0.5
72.99268	0.5
83.05000	0.5
85.02943	0.4
87.04502	1.5
92.18304	0.4
99.04495	0.7
112.10725	0.4
113.06097	0.6
123.08142	0.5
134.90814	0.4
137.09700	6.1
153.09161	0.5
165.09138	0.6
179.83534	0.4
181.08650	1.6
207.13945	5.1
230.43777	0.4
245.19043	0.5
247.20752	2.4
257.19101	4.1
261.18265	0.6
263.16562	1.6
263.20129	0.5
269.18997	0.4
273.18539	2.5
275.16748	0.9
275.20178	5.2
277.21643	2.1
279.19586	2.1
287.16815	0.6
287.20108	1.5
291.19733	0.5
293.21219	0.8
295.22791	1.9
303.16055	2.1
303.19653	1.8
305.17575	3.2
305.21231	3.2
307.19189	0.8
319.19275	0.6
321.21118	0.5
323.18665	25.9
323.22083	1.2
331.19159	1.8
337.20282	8.5
339.21732	0.7
349.20340	4.5
367.17410	19.2
367.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2128
Annotation	Delta17-6-keto PGF1alpha
Peak:m/z	Relative Intensity
59.01387	4.5
65.24577	0.3
68.47003	0.3
73.02949	0.4
80.59190	0.3
107.07756	0.3
118.05083	0.3
119.66953	0.4
123.08342	0.4
141.01089	0.4
157.81677	0.4
207.26801	0.4
260.14157	1.6
271.17123	0.5
273.15091	0.5
287.16553	4.6
289.18088	5.7
305.21228	27.8
323.22296	13.2
349.20132	3.7
367.21283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2125
Annotation	Delta17-6-keto PGF1alpha
Peak:m/z	Relative Intensity
51.04391	0.3
57.03455	0.5
59.01379	1.5
65.06314	0.3
69.03455	0.7
71.05010	6.1
94.06524	0.3
97.36592	0.3
99.04501	0.5
102.38960	0.3
111.08169	0.4
123.08148	0.8
143.25929	0.4
189.12888	0.8
203.71425	0.3
205.15875	1.7
207.17537	0.7
209.19179	0.4
219.13841	0.4
233.15453	9.4
235.17036	13.2
251.16586	0.8
287.20096	0.6
305.21243	10.0
319.19354	0.3
323.22287	12.0
349.20294	1.4
367.21237	100.0
379.99500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2486
Annotation	Betaenone B
Peak:m/z	Relative Intensity
58.21079	0.7
58.47406	0.8
59.01369	1.9
63.12234	0.6
69.61344	0.8
70.66555	0.7
92.18378	0.8
96.91314	0.7
96.97089	0.7
109.66003	0.9
113.09704	7.2
125.09760	0.9
130.04477	0.7
149.09721	1.5
172.80554	0.8
185.11795	6.0
191.44659	0.8
197.11754	1.2
249.22154	1.7
288.28503	0.9
293.21231	100.0
306.05527	1.0
321.07578	1.3
337.07291	1.2
367.11786	1.7
367.20938	1.7
367.24823	6.1
389.70688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	77.3
59.01368	18.8
60.38729	2.3
62.44293	2.5
71.01418	3.2
76.99369	3.2
80.74580	2.3
92.72129	2.7
99.04498	61.5
101.02422	12.7
125.02448	3.9
136.01653	38.4
151.03992	100.0
238.00499	3.5
256.68130	2.9
263.16550	18.4
272.14673	2.9
307.15506	4.1
351.14120	3.7
369.11365	5.5
369.15170	35.8
369.19531	26.8
369.23041	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	369.1836
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
54.99996	4.2
59.01376	28.2
80.01528	4.7
85.69677	4.9
92.18367	5.6
92.73888	6.6
139.21167	5.3
212.32803	6.2
233.08357	5.9
369.09903	8.9
369.18433	100.0
369.22638	22.2
388.48740	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	369.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	8.8
70.02981	14.0
75.29406	1.0
85.05865	1.4
87.05627	1.6
92.43179	1.1
96.00896	16.8
113.03551	8.9
114.01958	31.3
115.43282	1.2
128.96912	1.2
131.04642	13.9
171.15817	1.1
190.02734	1.2
254.22382	2.3
254.24889	41.7
280.26495	2.9
349.60931	1.1
351.26532	32.7
357.47437	1.3
369.27521	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	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01852	0.6
57.03435	0.8
59.01382	15.2
71.01374	10.1
72.99289	4.1
73.02944	0.6
75.00867	13.1
83.01381	0.9
85.02450	0.7
85.02944	17.9
85.18614	0.6
87.00858	5.5
89.02428	3.0
95.01366	4.1
99.00862	9.2
103.00376	1.3
113.02439	18.4
115.00335	2.5
117.01917	3.7
121.02940	86.2
129.01920	1.1
175.02423	0.7
193.03517	0.8
227.17343	0.7
231.05112	1.0
249.06169	12.6
371.09818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47972	0.5
57.03451	0.8
59.01379	13.4
59.42211	0.6
68.99823	0.8
69.03452	1.2
69.68932	0.8
71.01377	12.3
72.99297	2.6
73.02942	0.8
75.00867	13.9
83.01368	0.9
85.02936	18.3
87.00879	4.6
89.02417	3.9
92.18998	1.3
93.03424	1.2
95.01376	5.9
99.00871	8.4
103.00353	2.6
113.02438	18.8
115.00363	2.5
117.01905	3.0
121.02934	90.5
129.01909	1.2
175.02362	0.8
189.03998	1.2
231.05067	3.5
249.06143	41.3
267.89203	0.7
271.20670	0.7
308.46103	0.7
371.09814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1139
Annotation	Naphthgeranin C
Peak:m/z	Relative Intensity
57.07309	3.1
59.01366	21.9
60.58675	2.6
72.43293	3.6
72.88852	3.4
77.27201	3.0
78.25579	2.9
95.38189	3.4
108.02164	82.2
123.04507	100.0
136.01648	26.8
142.40720	3.4
151.04008	31.1
160.73143	3.8
176.04791	21.5
202.02773	22.2
203.03490	7.9
208.03737	4.9
215.03500	16.5
217.05028	45.0
226.77353	3.9
243.94821	3.6
272.63354	4.1
323.05753	23.7
326.08078	5.3
341.10336	66.3
353.10349	91.1
371.07327	4.4
371.11459	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	371.1137
Annotation	Licoleafol
Peak:m/z	Relative Intensity
50.68608	0.9
54.69498	1.1
58.96416	1.0
59.01381	6.4
68.28424	1.0
80.96520	6.3
83.54094	1.0
105.34097	1.1
119.63068	1.1
121.02927	2.3
134.03709	1.6
138.51645	1.0
147.04533	9.4
148.05319	19.3
150.03180	2.2
160.05263	1.1
161.06090	1.6
162.03323	1.5
162.06856	9.7
164.04794	1.8
176.04784	8.9
180.04366	2.0
189.05565	1.3
189.09286	1.4
191.03516	31.7
191.07133	18.3
192.04367	8.5
194.05943	4.4
206.05836	21.0
220.03795	10.3
224.03261	5.5
233.04625	7.7
235.06163	5.6
238.04752	11.8
245.19200	1.6
249.05745	2.8
250.06458	1.4
251.07259	6.4
257.65985	1.2
263.07126	8.1
264.07877	2.8
267.06619	32.2
279.06720	21.2
282.08990	13.4
283.09909	1.8
294.05450	5.4
294.09006	7.0
295.06079	7.7
297.11163	1.4
307.06161	5.1
309.07697	5.6
310.08356	2.2
311.05649	4.4
312.06564	1.7
321.07794	1.7
322.08432	6.4
323.05640	31.2
323.09229	1.7
325.07352	1.5
326.07922	11.5
327.08755	9.0
327.12381	5.6
338.08090	12.7
341.10281	34.9
353.10370	55.0
371.11420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1132
Annotation	Juglorin
Peak:m/z	Relative Intensity
66.79633	1.1
75.12812	1.2
81.07296	1.2
82.19356	1.2
109.02919	13.6
136.01636	13.1
151.03963	22.0
159.04515	2.9
160.04002	2.5
160.05276	49.9
175.07649	17.4
211.92876	1.3
233.10461	1.3
239.07008	1.7
257.58386	1.5
267.06592	83.2
282.08951	100.0
297.11307	36.8
297.36337	1.4
312.09943	7.1
327.12335	82.1
371.11316	45.5
371.19571	1.4
371.24039	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Cerosilin B
Peak:m/z	Relative Intensity
50.03650	0.7
59.01131	0.6
59.01380	7.0
61.47729	0.7
65.57756	0.7
71.25089	0.7
73.20397	0.7
73.47378	0.7
119.05016	100.0
145.02960	7.8
160.05177	0.9
163.04010	95.2
177.01900	0.8
180.04265	1.0
192.04277	1.1
195.06638	3.2
207.06612	1.3
210.05302	0.9
225.07649	4.0
267.06570	0.8
371.11356	30.4
371.20346	1.8
371.24994	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	371.1135
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
59.01378	22.4
66.94220	1.2
71.32757	1.5
80.96511	5.6
84.95921	1.4
96.74730	1.4
105.53305	1.5
107.10201	1.4
145.02985	1.7
165.01938	1.9
214.49890	1.4
238.06488	2.9
239.07187	2.4
251.07034	2.9
252.08003	2.6
253.05121	3.0
253.08766	10.8
254.05898	3.2
265.05185	6.3
267.06726	2.0
268.07520	1.8
269.08200	33.9
270.08847	1.9
277.05072	6.2
278.05908	5.5
283.06116	10.5
292.07404	3.4
293.04578	20.0
294.05173	1.6
295.06192	9.9
296.06918	1.9
298.08453	8.3
308.06854	10.3
309.07764	2.7
310.08496	16.2
311.05640	57.4
311.08871	2.1
323.09286	2.7
325.07205	7.0
326.07916	17.7
340.09415	9.0
341.06601	10.0
341.10272	70.1
356.08899	2.2
371.11377	100.0
371.16251	7.6
371.20834	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	371.1348
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
53.44558	0.5
54.39771	0.6
56.03244	0.5
56.58381	0.5
58.34778	0.5
59.01384	100.0
61.84621	0.5
71.01377	13.4
73.02945	0.7
75.00855	0.6
80.30344	0.6
85.02955	3.0
86.78671	0.6
89.02439	17.1
89.31313	0.6
94.98973	0.5
95.01409	0.6
101.02450	10.4
109.14870	0.6
113.02441	7.1
119.03461	5.6
121.02944	1.3
148.67461	0.6
155.90950	0.6
178.87816	0.6
215.73706	0.7
218.86096	0.6
304.86548	0.6
365.02097	0.6
371.13507	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	371.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.7
66.15665	4.9
84.89777	4.7
130.82623	6.0
134.59937	5.3
143.64326	5.7
192.04391	6.0
267.06665	9.5
282.08963	11.1
294.72235	5.3
297.11093	5.9
335.18509	7.9
369.04239	6.2
371.11212	29.4
371.15561	8.7
371.19922	100.0
371.24503	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	371.2548
Annotation	Neoenactin M1
Peak:m/z	Relative Intensity
50.54860	0.9
55.35539	1.1
58.02967	2.8
59.01382	11.8
66.97476	1.0
70.02966	14.3
82.80940	1.0
82.97078	1.2
94.38049	1.0
96.00285	1.9
96.00900	41.5
113.03542	5.2
114.01955	27.3
128.80168	1.1
131.04619	19.2
132.58960	1.0
172.42371	1.3
205.64278	1.2
222.18613	8.3
236.20148	12.2
238.21785	8.8
254.21182	1.4
256.22861	9.6
284.75861	1.1
311.22388	1.5
353.24545	5.3
371.25455	100.0
382.94394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41519	0.6
57.03440	1.4
59.01376	16.6
59.06783	0.6
63.28046	0.6
67.01913	0.9
68.99792	3.2
71.01371	14.7
71.17651	0.7
72.99288	2.9
73.02946	0.9
75.00855	14.4
78.03476	0.9
83.01371	1.1
85.02462	1.2
85.02940	17.6
87.00861	4.7
89.02419	5.6
95.01377	5.1
97.02930	1.3
99.00858	9.9
103.00334	2.7
104.99609	0.7
111.00821	0.9
111.04462	0.8
113.02430	22.5
113.50536	0.8
115.00362	1.2
117.01913	4.1
122.02456	90.4
129.01886	1.3
151.57471	0.7
175.02435	1.5
189.03999	0.8
231.05064	4.3
249.06125	93.1
255.87271	0.7
279.67767	0.7
346.45111	0.8
372.09326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.7
59.01372	23.1
67.42601	0.9
71.01363	10.9
76.64414	1.0
79.32879	0.9
85.02923	2.0
89.02428	9.4
101.02393	6.6
108.02147	5.2
111.39689	0.8
113.02422	5.6
119.03438	1.9
123.04487	8.5
123.15643	1.0
124.01627	1.2
125.02423	5.1
134.03664	1.0
150.03241	1.2
151.00366	1.7
151.03975	1.1
152.01141	9.1
153.01923	6.9
159.83856	0.9
166.02687	4.1
167.03458	28.8
181.05032	4.4
193.05110	3.3
194.02216	1.6
209.04509	9.1
211.02444	14.2
253.03546	6.3
313.05478	4.5
313.09119	1.3
358.05316	1.5
373.07684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17815	1.2
50.25182	1.0
55.06538	1.2
59.01364	7.0
59.45369	1.2
69.74736	1.3
73.86634	1.4
79.08685	1.2
81.85873	1.2
87.16019	1.5
92.19029	1.6
95.67764	1.5
121.02954	12.2
122.03725	2.2
135.00835	1.6
137.02399	5.4
149.02419	12.1
150.03214	79.6
151.03975	3.0
152.01099	2.2
162.03218	95.6
164.04817	3.4
165.05559	84.5
167.03413	1.8
175.03937	1.5
177.05574	78.3
179.03520	1.4
180.04254	8.6
195.06633	40.1
224.04904	1.9
239.03326	1.4
240.07886	2.7
241.05083	7.6
249.05576	2.2
252.04277	2.0
253.05066	12.5
254.05779	1.5
262.06326	6.3
264.04233	2.3
265.05063	11.0
266.05807	8.9
267.06564	2.5
268.04214	2.2
268.07419	9.8
269.04541	47.6
278.05899	3.1
279.06662	2.7
280.07407	10.8
281.04568	89.9
281.07956	8.1
282.05621	1.6
282.09128	1.8
284.03793	2.4
284.06879	57.6
284.10056	2.4
285.03897	1.8
293.08060	5.9
294.05386	17.2
295.06094	7.1
296.03452	2.7
296.06833	24.4
299.05862	2.8
299.09259	10.0
310.08398	6.2
311.05704	2.6
311.09274	7.3
322.04733	6.0
325.07101	7.5
325.10791	29.8
328.05731	7.5
334.01587	1.7
337.07040	8.2
343.03989	3.2
343.08203	79.7
351.37845	1.9
355.08234	100.0
373.05490	9.1
373.09338	13.3
373.13171	3.5
373.18051	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0928
Annotation	5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
57.70636	0.5
59.01368	1.1
63.03065	0.5
79.07594	0.5
80.53149	0.5
81.47610	0.4
197.28415	0.6
213.28658	0.5
256.44037	0.6
270.01639	2.4
281.04608	0.8
282.05338	2.7
285.04031	18.2
291.38843	0.6
299.05548	2.8
309.03961	1.2
313.03540	100.0
327.05087	9.7
328.05890	32.5
328.09042	0.6
373.09253	93.1
373.25977	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	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74905	1.1
56.87568	1.0
59.01378	10.5
62.14267	1.1
66.89332	1.6
73.31702	1.1
81.16908	1.4
125.02411	1.6
137.99559	1.5
139.00356	16.4
153.01921	100.0
154.02708	40.0
167.03497	8.8
168.04254	55.0
169.05055	66.5
180.97832	1.3
185.39061	1.3
211.06094	2.6
211.09912	1.3
313.09329	2.0
321.57828	1.4
373.11682	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	373.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.4
61.68358	0.3
69.92703	0.3
72.79007	0.4
75.00851	0.5
83.43690	0.3
83.44519	0.3
100.22327	0.4
108.02129	0.7
121.02927	2.5
122.03696	4.4
123.04497	0.9
133.02933	1.5
134.03688	1.7
135.04565	0.4
136.01659	0.5
149.02414	7.0
150.03197	78.4
151.04019	0.4
152.01132	0.8
161.02371	0.5
162.03203	100.0
164.04726	3.8
165.05536	82.6
167.03406	0.7
177.05547	76.6
180.04265	6.6
195.06602	41.4
207.06769	0.4
281.04501	1.5
281.07877	0.5
295.06204	0.5
325.10648	2.0
343.08136	0.6
355.08099	0.8
373.09088	0.9
373.13000	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	373.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58646	0.9
59.01378	4.1
68.99817	7.8
88.83340	1.1
92.18436	2.9
102.53878	1.3
108.02173	21.6
109.02948	1.6
121.02963	4.1
123.00894	7.5
123.04520	22.1
132.02159	5.4
136.01659	3.9
137.02449	1.0
138.03252	5.3
146.03726	15.2
147.04530	2.0
148.01608	1.3
150.03210	20.1
153.05588	1.7
161.02446	7.7
161.06079	8.6
162.03268	5.5
163.04071	8.2
164.04790	16.9
165.05565	1.4
177.05574	34.1
177.07033	1.8
178.02710	52.7
178.27200	1.2
179.03540	2.1
179.07135	27.4
193.05046	55.3
194.05917	4.1
203.07080	1.8
219.06587	4.6
249.07703	2.2
285.04025	1.1
313.10803	1.5
325.10971	1.1
343.11899	4.8
355.11896	1.6
373.12955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.129
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
59.01375	8.0
62.97986	1.5
63.65593	1.6
79.10225	1.4
82.10162	1.4
86.68266	1.5
109.02934	10.6
110.34806	1.7
121.02937	18.1
122.03725	2.6
123.00860	1.7
123.04522	4.0
125.09743	1.9
134.03714	4.0
135.04536	2.0
136.05281	10.1
137.02452	6.7
145.02946	1.6
146.03735	18.1
147.04492	28.4
148.05275	10.2
149.02458	2.2
151.03993	8.6
155.43253	1.8
159.04494	10.6
160.05299	12.9
161.02408	3.9
161.06061	11.1
162.03230	8.1
162.06816	3.4
163.03963	3.1
163.88789	1.6
164.04677	2.4
173.06047	3.2
175.07599	17.6
176.04697	2.2
177.05595	9.4
178.06386	6.7
179.03523	9.1
179.07144	12.0
180.04274	10.1
187.09773	3.9
192.08000	3.9
193.05159	2.1
194.05766	1.6
195.06567	3.7
204.04221	2.0
219.06660	2.3
232.34360	2.0
253.08652	2.1
267.06671	2.9
269.08118	17.9
281.08252	6.7
283.09729	21.2
284.10529	45.8
295.09702	6.5
295.38116	1.8
299.12854	8.4
311.09128	6.2
328.09531	2.3
329.13922	100.0
340.09436	13.9
343.11841	33.8
355.11823	27.8
361.80862	1.8
373.08395	2.8
373.12881	86.2
373.17542	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	373.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74043	0.7
55.83882	0.6
56.71342	0.6
58.48238	0.7
59.01377	100.0
67.84254	0.8
125.05611	0.7
236.02599	0.8
281.12805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70830	0.8
51.97353	0.8
59.01382	100.0
70.28285	0.8
74.45597	0.9
76.65022	1.0
82.43178	1.0
99.88168	1.0
100.90916	0.9
112.06568	1.2
124.40155	0.9
145.14052	0.9
196.69182	1.0
222.09984	0.9
326.88541	1.1
337.50235	1.1
342.70963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75295	0.1
54.95620	0.1
58.24705	0.1
59.01380	1.0
60.01707	0.1
60.93199	0.1
61.98823	0.4
81.43243	0.1
103.05544	0.1
113.87854	0.1
130.19673	0.1
152.08664	0.1
197.15187	0.1
232.10815	0.9
243.54918	0.1
272.17535	0.1
289.17877	0.9
290.18835	1.0
314.03741	0.1
316.16684	0.5
358.21454	0.3
374.24481	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
67.24210	2.8
71.01377	48.6
72.99349	3.3
85.02919	5.3
89.02431	65.7
89.68987	2.8
98.21012	2.9
101.02407	21.2
113.02425	24.1
113.64558	2.6
119.03514	21.6
135.04495	3.6
143.03589	3.0
145.02925	31.4
146.03741	5.5
147.04509	11.9
153.01996	3.1
161.02466	20.9
162.03197	46.5
165.05530	6.3
167.81207	2.8
174.99207	13.7
177.05576	22.0
179.05611	21.9
180.04301	6.8
191.34584	2.9
195.06633	20.6
217.00264	34.2
266.21976	3.4
357.11823	29.8
374.99078	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	375.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	0.2
64.43581	0.2
67.22567	0.2
72.28600	0.2
79.49355	0.2
92.18317	0.2
93.03442	0.5
108.97781	0.2
113.24139	0.2
121.02905	2.3
122.03687	4.1
123.04488	0.4
130.24333	0.2
132.56310	0.3
133.02919	1.4
135.04523	0.4
136.01627	0.5
146.03703	7.4
147.04533	0.3
149.01207	0.3
149.02420	13.7
150.03200	75.0
155.59622	0.2
161.06062	2.5
164.04770	11.9
165.05540	100.0
166.02692	1.1
179.03564	0.2
179.07108	11.8
180.02739	0.5
180.04266	7.9
181.04907	1.6
184.35503	0.2
193.05055	0.2
195.06604	52.9
272.07004	0.2
283.09598	0.4
312.10034	4.1
327.08698	0.4
327.12363	8.1
375.10501	1.5
375.14670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1449
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.35120	0.4
57.67374	0.4
59.01382	1.0
68.99809	4.8
75.00841	0.6
108.02155	10.8
109.02946	2.2
111.04494	0.5
121.02964	1.0
123.00880	8.3
123.04501	15.4
127.23502	0.5
132.02162	2.7
133.02939	1.0
135.04587	1.1
136.01602	0.8
138.03239	3.6
142.72461	0.5
147.04451	0.9
148.01599	1.1
149.02435	3.3
150.03200	11.5
150.31947	0.5
153.05553	1.1
161.02415	7.5
162.03174	3.5
163.04015	8.7
164.01093	0.6
164.04771	3.1
165.01915	1.1
165.05563	1.0
166.06337	11.3
168.97945	0.5
177.03993	1.0
177.05556	31.1
178.02702	32.4
179.03462	7.6
180.04262	1.1
181.08691	9.8
193.05051	41.7
194.05815	2.6
201.11244	0.8
202.94780	0.5
221.08357	0.9
258.05283	2.1
317.06726	0.9
330.11108	1.2
345.13449	7.0
375.07709	3.6
375.14478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1815
Annotation	Picrasin B
Peak:m/z	Relative Intensity
51.39631	0.6
59.01376	2.9
59.35057	0.6
67.29334	0.6
71.36274	0.6
96.82172	0.6
96.96013	1.0
97.61367	0.7
107.62488	0.6
161.11203	0.6
189.09256	0.8
208.78410	0.7
255.17558	37.1
257.15482	3.0
271.17203	0.8
287.20190	31.0
289.18152	3.6
299.16531	45.2
331.19144	37.1
331.22934	1.4
375.18137	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	375.2174
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
53.84417	0.9
59.01376	100.0
96.95985	1.4
99.13599	1.2
122.52171	1.2
268.96027	1.1
315.19498	1.3
375.18185	6.4
375.22177	1.5
376.42389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22327	3.2
59.01379	55.8
71.01371	100.0
73.67657	3.4
76.56207	3.0
89.02412	28.8
91.08566	3.3
92.18433	8.3
102.49484	3.7
109.27536	3.2
114.95367	3.7
124.70829	3.4
135.93623	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	376.2126
Annotation	Isariotin E
Peak:m/z	Relative Intensity
56.58920	47.2
59.01366	41.4
77.31852	43.9
105.86623	56.8
153.70857	45.6
167.63757	47.6
376.21542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	12.1
61.69052	3.1
71.05022	7.3
81.31314	3.2
85.81565	3.3
86.34908	3.3
95.01376	51.7
121.78611	3.5
123.04502	5.0
139.00418	6.0
139.03992	3.8
142.14626	3.1
147.04524	22.7
155.03508	43.6
186.77858	3.3
191.03519	67.5
200.48155	3.6
212.04807	23.3
214.06325	3.9
224.04912	3.9
227.07187	16.6
261.18912	3.5
271.06134	36.3
287.16504	4.5
289.18057	4.8
303.08835	4.2
315.05063	4.4
333.09695	5.1
333.17017	8.1
341.11111	18.0
347.07654	8.2
347.11438	7.1
377.08716	100.0
377.16110	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	377.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.6
59.99500	0.8
63.94156	0.8
76.72649	0.9
79.71603	0.9
80.29504	0.9
114.94640	0.9
121.02924	6.8
122.03704	2.0
127.07623	3.9
128.49902	0.9
131.75143	0.8
133.02950	1.0
149.02393	17.2
150.03194	72.2
164.04721	9.0
165.05534	100.0
180.04257	9.1
181.08754	1.0
195.06595	65.3
206.75031	1.1
211.05940	0.9
259.09485	1.1
314.11569	11.3
329.13916	26.7
333.09451	1.3
377.07401	4.3
377.16199	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	377.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22608	0.7
59.01115	1.3
59.01386	26.2
59.04934	0.7
60.17345	0.7
92.74960	0.7
94.45943	0.8
97.24674	0.8
119.34609	0.7
155.30249	0.8
158.61307	0.9
171.10268	45.4
183.10303	3.5
195.13849	0.9
223.10162	0.8
277.21738	56.5
295.22781	71.8
317.20905	1.7
377.23117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58313	0.7
59.01387	100.0
89.61914	0.8
95.05039	0.8
96.96017	5.4
115.71677	0.7
123.08164	8.0
160.56729	0.8
226.87721	0.9
241.15898	1.1
273.18518	3.5
283.17068	33.4
315.19754	11.1
359.18793	1.3
377.19745	44.2
377.24899	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	377.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06229	0.7
59.01381	100.0
96.95985	10.3
108.44243	0.7
123.77885	0.7
131.09026	0.9
139.65919	0.7
174.99242	1.0
182.19731	0.9
201.02614	1.2
217.00290	1.7
236.71829	1.0
297.24399	1.1
305.38818	0.9
377.19672	9.1
377.23990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2337
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
59.01385	100.0
60.20265	0.4
78.95918	5.6
84.01884	0.4
127.48256	0.5
142.51190	0.4
145.53297	0.5
201.72202	0.5
208.07652	0.5
228.56810	0.5
377.20486	2.4
377.23431	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	378.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26076	0.8
59.50732	0.9
64.88490	0.9
65.77864	0.8
68.72347	0.9
70.02707	0.7
81.97673	1.0
85.99882	0.8
99.95844	0.9
101.37901	0.9
114.09252	2.2
116.07159	100.0
214.96469	1.1
230.18352	1.1
269.59778	0.9
270.86218	1.0
334.31253	1.7
378.30121	83.4
395.70163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0822
Annotation	Preussomerin EG3
Peak:m/z	Relative Intensity
55.01017	0.9
59.01381	9.1
59.96795	1.1
71.01373	6.0
85.86343	1.0
89.02425	15.4
101.02462	4.5
113.02437	2.3
119.03496	5.7
147.75807	1.1
159.39677	1.1
177.25868	1.1
179.05478	1.2
217.02975	6.6
341.10876	42.8
341.14908	2.3
343.11514	2.7
379.08316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74931	0.7
55.00353	0.6
59.01385	12.8
71.01384	12.1
72.99299	1.3
75.00868	10.4
77.29081	0.7
85.02957	13.1
85.06581	3.7
87.00863	4.8
87.89536	0.7
89.02458	6.0
95.01385	4.5
97.02917	1.0
97.53172	0.9
99.00872	5.9
101.02457	2.7
103.00354	1.6
111.04504	1.1
113.02436	19.6
115.00376	1.3
117.01908	1.7
129.01903	1.1
129.05577	49.8
164.99168	0.9
170.13409	0.8
194.80922	0.8
217.10735	0.9
227.88268	0.7
249.06169	17.2
265.16599	0.8
267.07162	4.8
341.10886	1.2
379.08817	4.2
379.12405	100.0
379.16129	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	91.9
59.01089	4.2
59.01381	90.5
71.01376	9.8
73.02959	4.1
75.93095	1.7
82.03011	2.1
83.01370	3.4
85.02957	2.0
89.02435	2.4
92.18971	2.5
93.03451	2.0
99.04510	100.0
99.05167	3.5
101.02436	41.3
104.97865	1.8
109.06481	1.9
113.02441	8.4
121.38387	2.1
125.02432	37.0
136.04007	2.3
143.03494	3.6
155.10771	5.0
161.04549	10.7
171.10246	3.6
217.10796	15.7
235.11812	23.3
242.08322	2.5
249.91388	2.4
270.06470	9.2
271.54236	2.3
277.12891	15.9
285.08801	49.3
287.06741	4.8
289.18152	15.6
291.08801	3.0
307.19092	2.7
317.11407	13.3
317.15814	3.2
341.11145	3.0
361.10242	2.6
379.11102	11.2
379.16510	70.9
403.93518	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	379.1763
Annotation	Chaparrin
Peak:m/z	Relative Intensity
59.01379	1.9
59.59096	1.1
60.01746	1.0
61.30319	1.2
108.30877	1.2
146.56996	1.2
150.03102	1.4
184.16962	1.5
221.15462	1.9
273.18634	1.5
307.19174	3.1
317.17548	7.7
335.18628	8.6
361.16629	2.3
379.17657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
66.90633	0.4
67.18193	0.4
93.60365	0.4
152.06804	0.5
196.84616	0.7
216.30672	0.5
223.30280	0.4
248.78360	0.5
259.17017	2.8
266.41412	0.4
317.17746	2.1
319.19159	7.0
335.18536	1.0
343.20822	0.5
361.16638	0.8
379.17270	7.4
379.21902	4.2
386.09387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.05989	0.8
87.89956	1.0
142.62271	1.2
207.16064	1.3
223.04283	1.1
245.15556	2.5
273.18695	3.9
287.50513	1.1
289.18103	1.4
301.18091	2.1
317.17535	4.6
317.47516	1.3
319.19122	19.8
379.17548	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.4
82.39311	3.6
83.84873	2.9
126.77725	2.9
150.31929	2.9
171.10257	5.7
186.21561	2.6
218.37645	2.8
274.91428	3.1
279.23267	16.2
297.24329	100.0
379.24652	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	379.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31364	0.2
59.01384	100.0
59.38246	0.2
78.66197	0.2
86.47144	0.3
89.43914	0.2
105.64171	0.4
128.74304	0.3
153.16544	0.3
379.24869	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	379.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
67.26246	1.4
70.15979	1.4
74.66220	1.2
78.05291	1.4
85.61971	1.4
105.21172	1.5
105.83873	1.4
112.27128	1.3
141.47687	1.5
191.40964	1.5
213.23305	1.5
269.54523	1.5
319.19080	2.7
379.16895	5.6
379.21173	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	379.2487
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
55.58720	0.5
58.17817	0.5
59.01376	100.0
84.07644	0.6
84.64537	0.7
105.94650	0.7
124.47425	0.6
217.00307	1.2
220.99583	1.0
254.16490	0.6
268.22470	0.6
297.15265	7.0
319.22705	8.4
329.81732	0.7
379.24783	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	379.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
74.10101	1.1
84.44040	1.1
96.96020	2.4
99.37371	1.1
103.73354	1.2
183.36847	1.1
211.13362	8.2
236.67857	1.1
246.45697	1.2
251.18021	13.2
253.19635	10.4
283.20770	1.6
319.22772	74.4
342.14795	1.2
349.31696	1.1
379.15314	1.7
379.21188	4.8
379.25433	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	379.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
85.06779	0.9
120.99824	1.0
125.09734	1.5
125.58254	1.0
136.55838	1.0
151.11281	1.2
153.12823	100.0
165.94818	1.1
181.10707	2.0
181.12320	88.0
197.11813	93.4
215.12854	92.4
241.62619	1.1
282.16571	1.3
295.19165	5.6
379.24683	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	380.1562
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.49933	0.3
51.53748	0.3
54.83311	0.3
55.67231	0.4
59.01376	6.2
65.55544	0.3
70.54989	0.3
71.01374	23.4
71.05010	2.5
73.02908	0.4
85.02937	0.9
88.04030	26.4
89.02427	5.9
93.79640	0.3
101.02437	9.1
113.02428	3.6
116.03518	0.8
116.07168	0.6
116.92859	0.6
119.03483	2.4
128.07167	1.6
129.05586	0.7
134.93153	0.4
146.08221	81.0
161.04552	1.9
200.09277	0.5
218.10353	5.4
308.13495	3.7
362.14719	0.6
380.15622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04804	0.4
58.98846	0.4
59.01379	100.0
61.78166	0.5
64.47906	0.5
65.79790	0.4
71.59691	0.4
76.74978	0.5
96.45992	0.4
115.95766	0.5
238.96931	0.5
280.23688	3.0
298.24683	13.5
320.26169	0.7
380.24930	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	381.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31168	1.0
57.03444	1.4
59.01375	17.5
71.01373	10.0
74.53248	1.3
75.00861	9.8
79.21934	1.3
85.02933	11.3
86.22112	1.1
87.00846	5.2
89.02439	1.9
95.01376	2.3
99.00870	7.0
102.22572	1.2
109.87620	1.2
113.02444	17.0
113.35560	1.1
115.00375	1.4
117.01909	1.8
120.81770	1.2
131.01706	58.1
231.05067	1.4
249.06178	18.0
337.20114	5.1
381.08594	100.0
381.19409	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	381.1553
Annotation	Yadanziolide V
Peak:m/z	Relative Intensity
54.23081	0.8
58.00587	14.9
59.01367	8.4
64.65046	0.8
71.01357	4.0
73.02934	11.4
75.65002	0.9
80.09952	0.9
87.04514	1.3
92.19028	0.9
99.02647	0.9
116.92818	1.9
197.13283	1.7
201.12874	2.2
233.15384	1.3
235.16898	1.2
239.14369	6.0
241.05235	1.1
245.15469	1.0
257.15494	8.2
273.14935	5.4
275.16531	8.9
280.78427	0.9
293.14505	1.9
293.17545	29.1
319.15469	1.1
327.14639	0.9
337.16730	7.1
343.11172	1.1
381.04663	3.9
381.15457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Viguilenin
Peak:m/z	Relative Intensity
56.46827	0.3
59.01383	1.6
69.03445	0.7
75.00858	0.4
94.31531	0.4
98.18555	0.4
126.10757	0.5
137.09700	0.9
211.36182	0.4
216.80547	0.5
245.19064	2.1
255.17644	0.5
263.20120	0.5
273.18579	0.9
275.20221	0.9
289.17770	0.5
335.18896	0.6
337.20224	47.8
338.24762	0.8
381.08792	2.5
381.19229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.6
59.01377	7.9
60.15186	0.4
63.96232	2.9
72.58538	0.5
82.45654	0.5
84.55830	0.5
85.02939	0.5
87.04523	1.9
91.74205	0.4
99.04491	0.9
103.97752	0.5
113.06085	2.9
126.01649	0.6
137.09746	1.0
181.08665	0.8
219.13916	0.6
245.19240	0.5
273.18655	5.6
275.16562	1.0
275.20370	0.6
289.18274	0.9
291.19626	2.3
299.20282	2.3
301.18176	0.8
303.16272	1.3
317.21289	4.3
319.19128	10.3
335.18671	33.4
335.22739	1.1
337.20233	5.1
363.18182	32.4
372.34647	0.6
381.19202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1919
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
50.55474	1.1
53.36949	1.1
59.01378	40.4
62.80355	1.1
63.96232	2.5
64.97036	1.3
68.70901	1.1
69.25290	1.1
87.04497	1.9
89.27540	1.1
92.39629	1.1
95.47662	1.2
110.98692	1.1
123.08133	1.7
135.04492	1.6
149.09712	2.7
198.56998	1.2
241.15941	5.8
245.15443	1.9
247.16846	1.7
257.19055	1.8
259.17096	7.2
271.17017	1.4
275.16571	2.0
287.16394	2.1
289.18060	29.8
307.19189	2.6
317.21182	2.5
319.19006	2.9
333.17157	4.9
337.20218	1.7
351.18073	6.5
363.18146	8.1
381.19159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70329	0.5
59.01379	100.0
71.01373	0.6
73.02930	0.5
74.71856	0.4
78.46153	0.4
87.89341	0.5
114.51726	0.4
162.77869	0.5
174.99292	0.9
187.95323	0.5
217.00246	4.9
247.52788	0.5
293.18118	0.5
293.21323	3.0
337.16681	0.6
337.20441	0.6
381.15039	0.8
381.19095	8.6
381.22421	1.0
390.42801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
55.60455	0.4
55.89074	0.4
73.14719	0.5
74.09933	0.5
78.95866	0.7
82.69174	0.5
90.35462	0.4
109.06593	0.6
110.43250	0.4
152.99573	0.7
170.05852	1.0
192.11601	0.5
195.48329	0.5
213.14987	0.8
213.18500	0.7
233.19089	1.2
235.20651	0.8
251.20171	4.4
256.87662	0.5
277.18082	94.4
279.16455	0.9
279.19626	28.2
295.19135	100.0
306.18369	0.7
363.25412	22.2
381.26468	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	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66965	1.1
53.65418	1.0
55.89754	0.9
59.01376	10.4
61.03132	1.3
71.01382	8.3
75.00864	12.9
87.00880	14.1
89.02433	5.1
94.83969	1.2
101.02402	3.1
113.02422	1.7
132.04538	20.9
158.06114	94.6
174.05592	2.7
202.05113	32.6
220.06160	10.5
237.06258	5.6
249.06187	6.3
276.17014	1.2
309.47577	1.4
382.11505	100.0
382.15930	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	382.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83984	0.1
59.01366	0.2
60.92141	0.2
71.01368	0.3
88.04028	0.4
118.80159	0.2
128.92122	0.2
130.05049	1.0
130.08723	100.0
134.04723	1.5
141.62793	0.2
161.91762	0.2
177.38081	0.1
177.68617	0.2
182.51649	0.1
206.06871	0.3
223.20444	0.1
253.96431	0.2
316.64883	0.2
382.10281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60648	0.3
59.01381	100.0
71.81059	0.4
72.49807	0.4
81.90441	0.4
89.36397	0.4
90.83717	0.4
177.12108	0.3
267.08224	0.4
299.61438	0.4
322.27649	0.7
400.24698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0769
Annotation	Nidurufin
Peak:m/z	Relative Intensity
59.01376	63.4
95.67789	3.0
105.02055	2.5
143.10751	33.9
143.53291	3.4
172.55966	2.8
174.99207	3.4
201.02545	6.0
217.00310	12.4
221.92090	3.1
252.82858	3.2
259.08438	6.8
268.85156	3.2
281.02512	4.7
285.03915	4.2
296.04074	3.1
297.03873	3.4
301.09708	48.5
309.20807	6.0
313.03513	28.7
323.03815	28.9
328.05640	6.4
339.01440	2.9
339.04993	28.2
383.07346	100.0
383.19370	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	383.09
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96618	3.2
59.01378	100.0
59.94437	3.4
62.82367	3.8
71.01382	5.8
99.04523	4.2
100.04445	4.3
136.01677	7.7
145.02960	4.9
151.03966	23.5
151.07637	4.1
165.05594	21.3
165.86705	3.8
168.91078	3.6
181.83228	3.7
195.06660	8.2
249.78014	3.7
323.13062	5.6
323.18588	5.8
383.16434	27.5
383.20737	46.2
397.86728	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	383.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38984	0.8
59.01397	10.4
71.01389	5.0
73.02951	2.3
81.03425	1.1
83.01372	1.3
85.02969	5.8
87.00861	1.9
89.02427	4.5
96.96964	0.9
97.99783	1.1
99.00968	1.0
99.04505	1.3
101.02421	6.5
108.02077	1.0
109.02937	4.1
113.02452	1.3
117.03491	2.5
127.00374	1.5
127.03977	4.4
129.01912	1.8
134.03741	51.6
146.08223	1.6
149.06049	9.9
161.93236	1.0
178.02724	3.9
189.04062	8.5
193.05055	100.0
193.89531	1.1
197.94788	1.1
207.05103	6.6
240.62148	1.0
268.16660	1.0
323.17023	6.5
338.44601	1.0
383.09924	36.7
383.15909	5.4
383.20721	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	383.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27195	8.2
53.13392	6.7
59.01384	100.0
261.72101	9.6
361.03244	9.0
383.16306	59.8
383.20651	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	383.2076
Annotation	Perseanol
Peak:m/z	Relative Intensity
52.22950	0.6
52.94777	0.5
59.01372	9.0
60.52480	0.6
61.98826	1.5
65.50610	0.7
68.83742	0.6
71.85966	0.6
73.02936	3.0
103.03910	0.6
107.74730	0.6
123.08144	8.1
147.41316	0.6
149.09703	3.7
199.11302	0.8
205.12375	7.5
252.15150	1.2
259.17160	0.8
261.18597	1.4
267.17514	2.6
269.15350	1.4
273.18649	5.7
285.18597	24.2
291.19550	5.3
301.18039	3.8
303.19739	3.3
321.20703	3.1
339.21713	1.4
355.61667	0.7
365.19635	3.6
383.16464	4.3
383.20749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48630	0.6
53.03609	0.5
56.22410	0.6
59.01373	0.9
77.61432	0.7
88.17303	0.6
114.42319	0.7
129.85599	0.7
226.93588	0.8
283.90598	0.8
291.19687	0.9
301.21713	100.0
302.29044	0.8
309.20682	0.9
383.22028	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	383.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00672	1.9
59.01384	70.9
68.16788	1.6
82.39376	2.3
93.69001	1.9
97.74655	2.1
163.33897	2.0
187.13416	100.0
188.96400	2.2
190.73378	2.5
213.15012	22.6
213.16786	2.5
280.92419	2.1
301.21674	23.9
383.22192	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	384.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19120	0.2
51.09976	0.2
56.91208	0.2
59.01367	2.8
66.55076	0.2
66.56768	0.2
71.01370	1.7
73.02931	1.4
74.72622	0.2
76.84500	0.2
77.06248	0.2
78.03501	0.3
83.01352	0.3
89.02423	1.8
91.98168	0.3
99.00817	0.4
99.84065	0.3
101.02439	3.3
106.02970	1.5
106.90351	0.2
108.04538	0.5
113.02436	1.6
130.08688	0.3
134.02472	8.8
134.06091	1.4
135.03114	5.0
137.39375	0.2
138.37201	0.2
144.04535	0.3
146.02477	0.4
150.05579	9.1
152.71622	0.2
160.04021	11.4
161.01216	0.3
161.02432	0.3
161.04530	0.3
162.01949	100.0
171.34895	0.3
176.03502	1.7
178.05054	1.0
181.07071	0.3
204.03099	0.4
206.04550	1.0
222.04054	27.4
264.05106	5.5
276.05276	2.1
288.74438	0.2
294.06235	5.7
299.35818	0.3
324.07205	3.7
341.10858	2.7
384.09406	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	384.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40883	1.5
59.01376	100.0
61.98816	3.4
63.61299	1.2
67.73106	1.2
72.98540	1.2
77.29881	1.4
78.93237	1.2
134.63437	1.3
143.43967	1.5
146.86375	1.6
197.20215	1.5
219.97781	1.9
293.16843	1.4
296.31268	1.9
302.22052	19.7
313.70966	1.4
384.22095	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	385.0934
Annotation	5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
58.30944	1.1
59.01379	6.9
63.53548	1.3
65.02295	1.3
67.76643	1.6
70.10229	1.2
75.00902	1.8
77.77660	1.6
104.73666	1.3
136.30185	1.5
192.08624	1.7
228.17523	1.6
285.04202	11.1
287.20062	2.2
297.04080	1.9
299.02069	6.3
311.05664	1.7
313.03580	29.1
314.04382	2.8
326.04593	6.2
327.05188	11.5
327.08606	1.8
328.06100	3.4
339.05072	6.7
341.06635	10.1
349.20001	1.7
353.06998	2.4
355.04477	7.2
355.52951	1.6
385.09314	100.0
385.13950	3.6
385.17606	3.2
400.36304	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	385.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95624	0.6
56.38175	0.8
57.33691	0.8
59.01373	5.7
62.36973	0.7
74.80328	0.7
80.96493	1.0
92.18347	0.8
109.02930	24.8
115.79082	0.7
116.33073	0.7
133.02957	1.3
136.01622	1.6
142.00012	0.8
145.02927	4.5
146.03719	10.2
151.03998	4.7
161.06096	1.0
174.03264	6.9
189.05566	6.8
233.04543	3.5
239.07147	4.4
249.05646	1.5
250.06255	1.9
253.08650	0.9
260.20685	0.8
266.05554	1.1
267.06595	100.0
281.08105	3.2
282.08942	62.5
297.11285	84.4
325.07202	1.2
326.07944	1.6
335.24429	0.8
341.10239	11.2
376.82782	0.8
385.09125	10.9
385.13336	3.1
385.18295	5.2
385.22641	1.8
385.87167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
57.34809	1.5
59.01374	29.4
71.01374	26.1
72.99288	2.4
75.00864	13.2
75.01208	1.5
85.02932	32.7
87.00871	10.7
89.02411	13.6
91.05502	12.0
95.01374	3.8
98.36372	1.5
99.00877	12.6
101.02480	1.7
103.00361	2.8
111.00845	2.6
113.02427	52.5
117.01923	2.8
117.03452	6.2
129.01941	2.6
135.04471	3.0
137.74406	1.7
137.96405	1.9
141.00757	1.9
149.02422	1.9
164.04778	6.4
179.07059	2.0
190.02718	22.8
205.05055	40.3
221.08168	2.2
223.06081	8.8
249.06168	2.9
265.07227	2.5
267.07178	100.0
295.08237	2.4
305.02097	1.6
325.09293	2.3
371.00110	1.9
385.11349	93.2
392.83859	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41974	0.8
53.10542	0.8
57.03443	1.6
59.01372	15.8
60.42058	1.0
67.91647	0.9
71.01375	17.1
71.01753	1.4
72.65897	0.8
72.99303	2.0
73.02943	1.3
73.30627	0.9
75.00864	15.3
76.07604	1.0
83.37315	1.0
83.74040	1.0
85.02939	26.2
87.00858	7.0
89.02433	6.6
91.05514	44.0
95.01364	5.7
96.51076	1.0
97.68213	1.0
99.00854	7.5
103.00319	2.1
113.02428	41.0
113.46582	1.0
117.01951	2.3
117.03453	1.8
121.02927	15.2
126.27592	1.1
129.01929	1.6
135.04495	9.0
156.28033	1.1
177.61206	1.1
200.34291	1.2
238.95644	1.2
249.06151	29.4
263.07669	1.5
267.07199	71.0
385.11401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58487	2.2
59.01372	13.5
59.81442	2.6
70.82690	2.3
71.39783	2.6
73.24342	2.3
75.86208	2.9
87.09756	2.6
138.24828	2.6
205.05054	3.4
385.09189	10.1
385.17899	100.0
385.22168	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	385.2237
Annotation	Rhodomollein XIV
Peak:m/z	Relative Intensity
51.46359	0.3
59.01388	2.3
65.99776	0.3
74.85365	0.3
75.87972	0.3
89.02457	0.5
91.03992	1.6
92.85023	0.3
97.06586	0.5
122.03716	0.4
125.02467	0.5
126.03248	0.8
135.16843	0.3
167.14386	1.8
193.16003	0.8
207.17534	0.5
223.20807	2.7
231.17664	0.4
249.18672	6.5
259.17059	0.6
267.19687	100.0
275.16592	9.0
292.06000	0.4
293.17633	46.2
303.16019	0.5
311.18668	4.2
322.85156	0.4
341.26996	0.4
367.21207	4.0
385.22339	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12571	0.6
58.09477	0.7
59.01386	100.0
63.76720	0.7
65.99868	1.1
73.02949	0.8
83.02504	0.7
96.56010	0.8
108.52738	0.7
109.94759	0.9
112.52206	0.8
187.13411	79.2
215.16534	85.9
245.73619	0.8
261.85110	0.9
342.97885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90347	1.2
57.45388	1.1
59.01374	10.4
62.93505	1.4
69.03441	2.4
71.01368	7.9
72.99291	2.5
75.00869	9.3
78.12785	1.7
79.98117	1.4
85.02940	15.2
86.93970	1.3
87.00850	2.0
88.59489	1.3
89.02419	2.4
92.05049	33.1
95.01380	6.3
99.00867	8.7
103.63786	1.5
107.79921	1.4
113.02424	17.0
117.01929	2.4
136.04030	78.5
170.61890	1.6
173.50970	1.6
231.05144	2.8
249.06139	48.4
364.92834	1.6
386.10922	100.0
386.15939	3.3
407.76715	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17622	0.3
59.01379	7.3
59.53954	0.3
71.01382	2.7
72.99335	0.4
75.00862	1.9
83.01414	0.4
85.02955	2.6
87.00864	0.7
89.02426	1.7
89.87814	0.4
90.50981	0.4
93.03442	19.9
95.01368	0.7
99.00864	1.8
101.02424	0.6
102.87279	0.3
113.02430	3.5
137.02437	100.0
211.06065	0.4
249.06146	15.9
269.07571	0.8
289.96136	0.4
387.09268	21.1
387.16418	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1085
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
50.10395	1.0
59.01377	9.9
59.92340	1.1
62.56634	1.2
64.77597	1.1
68.99812	3.3
95.01604	1.5
96.00912	1.7
98.52407	1.3
108.02171	7.8
123.00875	1.7
123.04484	13.6
125.29999	1.2
134.03743	21.8
137.02435	5.5
149.06075	17.1
150.03195	5.4
151.04039	1.5
154.00909	1.2
159.21362	1.4
177.05589	1.9
178.02725	57.2
189.05624	1.7
193.05060	100.0
263.05569	3.1
387.10883	47.1
387.18579	2.8
387.23514	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	387.1089
Annotation	Emmaosunin
Peak:m/z	Relative Intensity
59.01381	3.4
60.53339	0.5
71.04388	0.6
81.48386	0.6
82.47779	0.7
88.67812	0.7
103.33269	0.7
105.67459	0.8
117.03481	1.5
119.05016	100.0
123.00883	0.8
138.03221	2.8
139.00386	1.1
145.02950	20.4
153.05577	1.6
163.04005	91.6
164.04713	0.7
165.01973	0.9
177.05667	0.8
178.02719	3.3
180.04300	4.3
193.01389	8.0
193.05038	4.8
195.06670	1.0
196.03889	1.2
208.03780	16.7
211.06129	8.9
221.72069	0.6
223.06122	7.2
226.04793	1.0
241.07153	12.8
261.36163	0.7
267.05066	0.9
357.13657	0.9
387.10886	88.1
407.87531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.95377	20.5
62.09309	22.6
141.01698	98.6
306.45847	28.5
347.73636	29.1
408.63971	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	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46246	0.9
51.42443	1.0
53.87968	0.9
54.83223	1.2
59.01380	5.7
62.23719	1.0
89.02467	1.5
91.04008	8.3
97.86971	1.2
99.20633	1.1
125.09711	1.8
127.11317	1.8
127.40201	1.1
141.01773	1.6
155.10759	1.8
165.09227	1.7
171.10295	9.8
201.11346	71.9
257.62369	1.2
277.21774	7.3
295.22812	4.9
313.23865	100.0
387.27203	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	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.62496	0.9
68.47604	0.9
69.90609	1.0
102.81243	1.0
124.07764	1.3
136.77864	1.0
141.01692	2.6
194.58586	1.0
255.23140	1.7
279.29892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	67.9
60.01716	3.8
63.88886	0.8
70.02972	31.4
90.83295	1.0
144.22086	1.1
195.13890	1.0
239.23784	14.3
266.24918	1.7
280.26437	11.3
296.25803	2.1
328.28571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.124
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
59.01377	11.9
60.73458	2.3
65.68243	2.5
68.63909	3.3
68.99806	3.0
80.00696	2.8
86.81877	2.8
108.02165	14.5
112.81052	3.8
113.82513	3.7
123.04480	25.1
139.04048	3.6
150.03172	36.3
151.03931	6.4
163.04050	4.5
165.05547	75.9
177.01920	15.4
177.05579	3.8
178.02690	42.0
179.07103	3.1
180.04277	16.0
192.04193	5.7
193.05046	38.2
194.02245	5.0
195.06607	74.5
201.26843	3.1
209.04521	3.7
257.08405	4.3
267.06549	3.7
269.08157	15.7
270.08820	4.0
281.52780	3.2
293.04648	6.5
299.05618	17.2
308.06775	4.5
310.08359	5.1
311.05753	20.7
314.07999	36.5
326.07910	18.6
329.10236	30.4
340.09433	3.6
341.06699	4.9
341.10120	25.2
359.11353	40.9
371.11325	62.3
389.07944	3.7
389.12442	100.0
389.16983	5.7
389.25653	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	389.1245
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
57.28247	0.7
57.85614	0.7
58.00591	1.0
59.01388	6.2
72.72114	0.9
92.18446	1.1
98.23376	0.8
117.03447	12.4
118.04250	1.3
119.05013	84.7
121.02927	5.6
132.05829	4.5
137.02400	1.9
138.03262	1.1
143.33398	0.8
145.02942	100.0
147.04611	1.1
150.03244	1.3
151.03937	1.0
152.04781	4.6
153.05603	1.0
162.03261	1.1
162.05566	5.3
163.04004	80.6
168.04308	2.0
177.01942	7.7
177.05563	1.7
178.02682	1.9
179.03505	5.4
180.04257	3.5
183.06558	6.6
190.05103	1.9
192.04305	5.3
193.04977	1.5
194.05885	1.6
195.03075	0.9
195.06613	2.2
203.03564	1.0
212.92850	1.0
225.07768	5.2
312.10083	1.5
327.12408	7.4
341.10239	5.9
344.99408	0.9
353.11472	3.4
365.19040	1.2
371.11362	21.2
387.51120	0.9
389.12411	72.6
389.16275	3.2
398.16550	1.1
398.30005	0.9
410.66824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
72.08819	1.0
73.26894	1.2
76.57443	1.2
79.95744	5.2
80.96506	2.5
81.34388	1.4
96.95990	5.9
99.08171	1.6
161.97295	1.3
226.11699	1.4
389.15854	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	389.1975
Annotation	Longikaurin C
Peak:m/z	Relative Intensity
51.22191	1.5
59.01387	100.0
72.76660	1.6
82.02931	1.5
101.06078	11.5
153.16783	1.6
202.63530	2.0
299.16525	15.8
319.25269	1.7
329.17554	6.7
389.19681	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	389.197
Annotation	20-Acetylsinularolide C
Peak:m/z	Relative Intensity
52.72522	0.9
54.09132	1.0
59.01379	100.0
59.69220	0.9
60.77036	1.1
78.46143	1.2
80.13219	1.0
87.12587	1.1
160.45317	1.2
174.06168	1.0
195.03603	1.1
273.72894	1.3
288.32776	1.2
357.71347	1.1
361.25449	1.2
389.19751	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	389.197
Annotation	20-Acetylsinularolide C
Peak:m/z	Relative Intensity
50.19533	0.3
51.66712	0.3
59.01381	100.0
59.10603	0.3
59.11015	0.3
77.80784	0.3
79.62189	0.3
79.95737	0.4
132.40111	0.3
267.17554	4.9
389.19934	2.2
389.27261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02732	57.9
57.49294	62.5
59.01382	98.0
63.51063	63.3
63.58829	73.0
118.20506	75.6
138.34520	91.1
170.99550	98.1
181.16118	77.6
226.55040	86.5
270.09750	80.4
278.55286	100.0
324.37952	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
63.55101	0.6
87.04945	0.5
92.66339	0.7
107.98330	0.6
115.32211	0.5
115.38925	0.7
119.13089	0.6
135.95851	0.6
171.00343	0.6
182.50378	0.7
259.26224	0.6
271.40601	0.7
393.70242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64609	0.4
52.58826	0.4
53.70516	0.4
59.01387	100.0
73.65532	0.5
77.50948	0.6
101.27692	0.6
112.70905	0.5
155.75333	0.6
156.92749	0.6
307.22720	1.0
376.77856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64206	1.1
70.71292	1.0
71.01366	16.1
73.89505	1.1
82.18858	1.2
86.79208	1.0
88.04033	15.2
88.04554	1.5
89.02450	1.2
109.04060	14.0
115.00362	34.0
127.05123	94.1
128.03636	1.4
131.47987	1.1
132.03001	15.1
140.04378	1.3
141.20926	1.1
146.06105	4.4
165.05446	8.9
177.27437	1.1
183.06534	1.5
183.12247	1.2
187.00677	1.1
214.08667	2.4
233.56387	1.1
256.10898	23.9
257.09360	7.1
272.09473	1.2
274.12000	23.7
275.10373	23.5
317.57709	1.2
346.14185	2.3
361.79779	1.3
390.13104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26965	2.6
59.01387	12.2
62.59724	2.2
69.34107	3.0
71.01392	3.6
71.25471	2.7
84.49001	3.1
86.60087	3.6
89.24174	3.1
108.02161	20.3
115.13314	2.9
121.02921	4.2
123.04516	66.7
123.05328	5.3
136.01685	4.2
141.05554	3.9
149.02449	53.0
150.03212	79.9
151.04070	6.2
164.04796	17.7
165.05574	100.0
167.03481	4.8
180.04344	5.6
195.02979	30.8
195.06612	26.2
204.62048	2.9
245.43352	3.1
256.07431	41.6
259.76801	3.3
263.02069	3.5
271.09799	24.1
390.29739	3.4
391.10315	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
60.60028	0.8
61.79808	0.6
62.40708	0.7
70.87549	0.9
75.00829	1.4
96.95998	0.9
100.89256	0.7
106.33176	0.8
108.02151	1.5
109.02952	1.0
121.02950	1.7
122.03745	4.5
123.04522	3.3
133.02979	1.0
134.03819	0.8
135.04515	3.3
135.98332	1.6
136.01613	6.2
149.02429	8.1
150.03206	97.9
151.03989	4.4
163.04031	3.1
164.04805	8.2
165.01892	1.6
165.05553	100.0
167.03477	1.3
177.01848	1.3
180.04285	13.5
192.04263	4.0
194.02199	16.0
195.06615	52.2
201.06488	1.1
207.06625	4.8
209.04541	83.7
216.08932	5.1
224.03331	1.6
225.03973	1.3
225.60400	1.0
239.05600	46.6
243.78535	0.8
244.08379	4.0
267.06531	0.9
270.08994	0.9
283.06113	1.6
295.06021	7.1
298.08444	9.1
310.08411	4.3
313.10950	6.0
325.10846	4.8
343.11850	16.5
361.13046	6.8
373.13000	7.0
391.09628	9.4
391.14792	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	391.1395
Annotation	Massoniresinol
Peak:m/z	Relative Intensity
50.34566	0.6
50.42827	0.4
52.82634	0.6
56.53920	0.5
59.01377	1.4
75.00831	0.9
77.54321	0.5
92.19017	1.8
94.40767	0.7
102.74338	0.7
107.05032	0.8
108.02153	1.1
121.02949	1.1
122.03728	3.6
123.04500	2.9
123.29746	0.5
134.03717	0.8
135.04514	4.3
135.98318	0.8
136.01675	2.9
145.45375	0.6
149.02414	6.9
150.03204	82.1
151.03969	1.2
153.00516	0.6
163.03932	1.0
164.04741	6.4
165.05540	100.0
167.03468	2.5
177.01790	1.0
178.06305	1.2
179.07181	0.9
180.04282	13.0
184.80168	0.7
188.24022	0.6
190.25313	0.7
192.04269	3.4
194.02226	7.0
195.06609	72.8
207.06627	5.2
209.04527	33.4
216.08916	7.4
225.04028	1.1
239.03508	0.9
239.05576	20.1
240.04294	3.2
244.08340	7.5
255.06679	0.8
267.06702	0.7
270.08981	1.2
283.06195	1.4
285.07758	0.7
295.06033	8.9
298.08447	6.5
310.08499	5.7
313.07492	0.7
313.10571	4.6
325.10800	4.5
333.09665	0.9
343.08148	1.0
343.11804	13.3
361.12839	5.7
373.13004	6.0
380.36319	0.7
391.09274	4.4
391.14346	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	391.1399
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
54.03769	1.3
58.88737	1.2
59.01365	13.0
59.49367	1.3
61.98829	1.6
73.99159	1.4
80.34147	1.3
85.51511	1.4
87.04502	6.4
122.03663	2.0
123.04533	2.2
135.04521	6.6
136.05263	9.8
149.02425	7.1
149.78699	1.7
150.03203	64.3
151.03963	18.5
152.01126	2.1
164.04793	3.3
165.05548	100.0
167.03467	6.1
180.04276	9.5
181.05026	10.5
195.06601	51.8
208.03851	2.0
225.89120	1.6
269.04907	1.8
311.09247	3.6
343.11859	16.3
391.09631	3.3
391.13989	59.1
391.18018	2.9
391.27161	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	391.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.3
59.01376	41.4
71.01371	26.6
73.02951	2.2
76.44483	1.7
80.09614	1.7
85.02944	6.7
89.02415	19.6
96.96939	2.1
97.06577	21.1
101.02430	15.9
101.05058	1.8
109.06551	2.4
111.62265	1.8
113.02406	14.3
113.06071	2.1
113.14685	1.6
117.14478	2.0
119.03518	6.4
121.06545	2.6
123.08138	68.6
134.03677	1.8
135.04480	3.3
148.06282	6.6
149.09676	10.7
161.04553	2.1
167.10757	8.1
179.05550	3.0
193.05067	2.6
193.08681	2.5
195.30284	1.9
211.09726	100.0
245.96181	12.4
255.06581	2.7
331.42499	1.7
391.10962	6.0
391.16019	22.2
398.66290	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	391.2104
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
55.43718	2.3
57.03453	3.9
59.01097	5.2
59.01375	100.0
59.99532	2.2
66.41064	2.5
121.14897	3.1
174.99231	3.6
177.12776	2.9
193.08405	5.3
195.10130	3.9
195.13873	11.1
205.12395	3.4
217.00253	17.6
221.15503	5.9
223.13420	4.9
245.11539	79.5
267.78043	2.6
276.36740	3.0
283.17023	6.8
291.19537	13.9
298.18472	3.2
301.18024	14.0
305.12466	11.7
309.20709	51.6
331.18924	50.1
341.99854	3.2
391.20605	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	391.213
Annotation	CHEBI:67351
Peak:m/z	Relative Intensity
55.08154	0.4
55.51628	0.5
58.02177	0.4
58.75617	0.4
59.01381	100.0
59.17400	0.4
62.78783	0.4
68.62801	0.5
74.99078	1.0
96.46454	0.5
104.73988	0.4
133.16006	0.5
138.53717	0.5
141.72174	0.5
151.10254	0.5
153.76074	0.5
220.43028	0.5
391.17633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90926	3.4
58.97527	3.1
59.01103	5.3
59.01381	100.0
60.01696	4.7
63.94825	3.4
73.72006	3.0
94.32144	3.6
192.72897	4.6
257.38940	4.1
279.23248	41.8
378.11319	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	392.1501
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
51.17999	1.3
53.74365	1.1
58.02950	2.6
58.99506	1.3
59.01375	2.2
63.03274	1.4
64.28621	1.3
68.06116	1.4
70.61560	1.4
73.10606	1.7
74.02460	13.1
74.16076	1.5
75.00864	1.6
78.97797	1.5
83.22019	1.5
86.02476	3.4
86.06130	2.0
91.22670	1.6
95.32333	1.9
98.00694	2.5
99.05643	13.5
101.07180	1.5
102.05598	1.9
107.06098	1.4
119.05334	7.1
128.03534	34.3
141.99666	2.9
143.04610	59.4
146.04514	3.7
146.05890	1.3
153.06560	2.3
167.04518	2.0
167.08141	2.4
179.04639	8.7
197.05740	2.0
210.08757	12.2
249.06099	2.1
254.07857	12.3
263.10605	2.3
272.08890	20.3
374.13855	8.0
392.06531	7.6
392.14981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73682	9.2
58.58192	9.8
59.01380	60.0
64.17533	12.6
84.08090	9.4
155.84863	10.8
157.15955	12.9
184.53096	12.2
224.08035	11.0
264.15970	12.4
304.48911	11.5
316.46906	11.3
319.19107	20.7
392.20865	100.0
405.10608	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	392.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02247	1.1
53.79251	1.0
53.86156	1.1
57.82811	1.2
59.01382	20.3
70.41223	1.2
72.31382	1.3
72.33798	1.3
118.11536	1.2
119.30141	1.2
130.07750	3.2
130.08728	100.0
165.96295	1.2
186.59650	1.5
295.20786	1.4
311.99359	1.7
392.31778	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1192
Annotation	CHEBI:67624
Peak:m/z	Relative Intensity
54.18785	0.9
54.91534	1.0
59.01383	8.5
69.27087	1.0
71.64644	1.0
86.84032	0.9
92.76127	1.1
121.02935	10.3
122.03748	2.3
123.00834	1.6
133.02885	1.3
138.03209	4.8
149.02397	6.3
150.03197	66.0
151.03978	1.5
153.05545	11.0
164.04758	4.9
165.05534	100.0
166.99826	5.2
178.63780	1.1
180.04272	10.8
182.02180	40.6
188.32997	1.2
195.06622	45.6
197.04527	60.5
286.08273	1.5
305.10474	1.5
345.09753	7.0
393.11621	20.2
393.16013	1.7
393.19839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02220	1.1
57.03450	99.9
57.69910	1.1
59.01380	89.8
61.67362	1.2
71.01372	8.1
73.02944	2.8
78.16537	1.2
80.19016	1.2
85.02943	7.2
99.00861	1.7
99.04507	100.0
101.02428	32.3
113.02438	8.1
114.88341	1.3
125.02421	33.4
143.03532	1.6
150.03189	8.5
151.00372	1.3
161.04559	6.6
165.05533	9.3
171.66498	1.3
182.02226	5.4
195.06587	5.4
197.04530	6.8
249.13420	23.0
265.10770	1.5
287.16574	1.8
291.14441	15.0
331.17877	4.4
393.08090	2.1
393.17947	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96598	1.0
53.63492	1.1
54.24865	1.2
57.37392	1.1
59.01376	16.0
59.29089	1.2
78.95886	9.2
96.55190	1.5
110.98505	10.5
113.09658	2.0
114.65066	1.3
127.11313	1.9
139.11299	9.4
151.61357	1.3
154.39914	1.4
161.52762	1.5
167.01147	16.6
171.10251	17.2
173.18913	1.4
175.39725	1.4
183.10359	1.9
185.02184	3.1
185.11855	3.1
193.08459	16.1
199.13339	1.8
201.11417	5.1
201.87842	1.7
205.08582	1.4
207.10069	2.0
211.13397	2.8
219.09953	2.9
221.11664	2.0
225.18582	100.0
293.21201	9.4
311.22256	38.6
315.19574	6.0
328.84192	1.5
333.20499	15.5
389.13406	1.4
393.20377	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	393.2281
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
50.99918	0.3
54.43423	0.4
59.01376	100.0
60.91761	0.4
77.71316	0.4
124.43698	0.5
132.41949	0.4
273.18576	4.1
281.36069	0.5
289.18069	3.7
303.19653	13.7
304.30136	0.5
315.19766	2.0
317.17575	2.0
333.20685	10.3
393.18762	0.5
393.23087	5.3
399.32526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2283
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	0.8
76.45476	0.5
78.82045	0.4
80.22118	0.4
88.70715	0.4
113.06052	0.8
297.18686	0.6
315.19769	4.8
333.20724	19.1
393.14069	1.0
393.23163	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35874	10.0
59.01376	100.0
70.39373	10.4
79.03458	11.3
97.83035	9.4
106.78981	9.8
157.06868	11.0
171.77649	9.6
188.87019	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	393.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51940	1.6
58.02988	17.4
59.01368	3.1
64.67778	1.5
69.54333	1.7
70.02969	18.8
71.02463	1.6
77.92689	1.5
82.65680	1.9
96.00906	19.9
113.03535	8.3
114.01975	29.4
116.92829	2.4
131.04597	13.9
183.28453	2.4
195.32838	1.7
199.11005	1.7
225.18579	7.2
278.24945	8.9
304.26324	3.2
375.26447	23.1
393.27621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04114	69.2
59.01379	100.0
61.98814	90.4
80.33427	73.6
173.69533	74.0
180.88365	76.9
186.34239	75.4
191.19659	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	395.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19264	1.0
54.19936	0.8
55.01874	1.1
56.20556	0.9
56.84148	1.0
57.03451	100.0
59.01381	86.5
61.62463	1.0
62.14714	0.9
71.01377	28.7
73.02951	10.5
83.01370	2.6
84.31555	1.2
85.02954	12.6
85.03417	1.5
89.02430	7.6
99.00865	5.5
99.04514	88.3
101.02435	57.8
113.02437	22.8
119.03510	1.5
125.02434	35.4
143.03511	7.8
159.03003	5.0
161.04543	31.7
233.10231	4.5
251.11363	65.1
264.63989	1.2
293.12469	39.9
333.15573	9.9
350.28796	1.2
351.16513	2.0
383.36914	1.3
395.15594	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	395.1708
Annotation	Gibberellin A41
Peak:m/z	Relative Intensity
59.01376	11.4
61.69964	0.5
73.02936	6.2
108.50723	0.7
110.28114	0.7
111.08141	0.8
137.09700	12.6
153.15442	0.6
159.65150	0.6
165.09047	0.8
174.88574	0.6
177.09203	0.9
208.75807	0.6
253.16066	0.8
261.18442	0.7
271.17126	0.7
289.18048	21.6
307.19083	2.3
317.17569	2.4
333.17108	12.9
335.18594	1.3
377.16028	100.0
395.17047	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2074
Annotation	Myriaporone 2
Peak:m/z	Relative Intensity
50.02745	0.4
56.51371	0.4
59.01381	100.0
61.82430	0.4
89.96458	0.4
94.45699	0.4
96.16194	0.5
106.86907	0.5
106.97421	0.4
113.05299	0.4
129.18777	0.4
162.58113	0.5
165.05646	0.5
171.10226	0.7
221.80409	0.4
232.55856	0.5
245.15416	4.3
257.17920	0.6
275.16605	0.8
289.18106	0.6
305.17557	8.0
335.14737	0.8
335.18652	17.3
380.84537	0.6
395.16678	2.0
395.20978	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	395.241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11572	1.1
57.42673	1.1
58.11668	1.2
59.01377	12.0
78.01572	1.2
99.08151	7.5
110.98561	2.1
129.09209	35.6
152.99599	1.5
183.13890	32.8
185.02252	2.0
191.10704	1.3
195.13914	2.3
198.42590	1.2
217.00172	2.1
223.13156	13.1
227.20155	100.0
267.11960	1.6
295.22739	7.0
299.19913	1.7
313.23828	41.7
317.21005	7.7
335.21976	75.8
353.21448	1.9
354.33356	1.5
367.19589	8.3
395.22110	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	395.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.7
61.78992	1.0
61.98832	3.8
78.60941	1.0
86.97406	0.9
97.96517	1.0
119.51373	1.0
146.12486	1.0
155.10811	2.6
170.67297	1.2
171.10251	6.6
197.80209	1.1
295.22778	9.5
313.23846	100.0
333.20355	2.1
333.41980	1.1
335.22131	12.0
370.02362	1.1
395.19089	1.3
395.24197	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	395.2438
Annotation	Australin A
Peak:m/z	Relative Intensity
58.31546	1.2
59.01381	88.6
77.45489	1.1
135.06595	12.1
162.29364	1.3
177.07800	1.8
205.15955	1.6
277.18011	18.4
280.46790	1.5
315.19601	2.5
335.22305	100.0
395.24432	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2437
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
53.49155	0.4
59.01378	100.0
75.00851	0.5
87.12982	0.4
137.43874	0.4
143.04958	0.5
144.74199	0.4
176.96892	0.4
179.08272	0.4
257.19196	1.8
275.20071	0.6
305.21295	0.9
316.21521	0.5
319.19128	0.5
335.22296	4.5
395.15576	1.9
395.24469	11.0
395.29129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2443
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
59.01386	100.0
63.76257	0.2
66.21739	0.2
70.60797	0.2
79.04598	0.2
80.09148	0.2
96.96004	0.9
135.04581	0.3
135.59383	0.2
161.02477	0.5
164.94472	0.3
179.03636	0.3
223.01433	0.2
232.48508	0.3
264.00140	0.2
275.20279	1.1
291.19821	1.2
305.21255	4.3
319.19208	0.3
335.18869	0.3
335.22382	2.0
395.16318	1.4
395.21371	0.2
395.24582	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2438
Annotation	Australin A
Peak:m/z	Relative Intensity
51.85263	1.1
57.03443	1.6
59.01379	100.0
69.35639	1.2
83.62952	1.2
85.06595	2.9
97.06596	1.9
107.72437	1.3
107.73202	1.5
113.06063	16.9
124.48362	1.2
197.98570	1.4
209.42346	1.3
247.13486	2.9
249.14964	6.1
264.14169	1.3
277.18091	2.2
299.19989	1.9
313.23889	2.7
317.21130	2.6
333.20657	1.8
335.22272	89.9
373.31357	1.4
395.20007	1.8
395.24371	10.4
403.09586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2918
Annotation	Bengamide K
Peak:m/z	Relative Intensity
56.29892	1.3
58.02983	13.0
65.34007	1.5
65.92017	1.4
70.02984	17.2
74.86147	1.7
96.00914	19.1
102.32415	1.7
109.13081	1.6
111.67236	1.6
113.03584	7.6
114.01965	24.2
131.04588	15.3
227.20158	32.2
280.26477	20.3
306.27969	3.3
377.28128	26.1
395.21927	7.1
395.29175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96917	0.7
59.01368	4.1
60.78233	0.7
60.92779	0.7
70.23387	0.8
70.70074	0.7
76.37918	0.7
89.50471	0.7
93.30647	0.7
95.91663	0.8
130.06596	28.3
146.06084	1.4
156.04547	4.2
174.05574	100.0
179.05602	3.1
217.61406	0.8
277.92957	0.8
336.10870	13.0
352.88571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95681	0.1
58.99345	0.1
59.01373	0.3
61.98821	0.3
68.19543	0.2
69.78851	0.2
73.91322	0.1
78.95900	6.9
122.00112	0.2
140.01170	4.2
152.99586	1.4
196.03819	7.6
199.17038	100.0
214.04886	1.6
253.80345	0.2
278.04865	0.1
278.36377	0.2
336.22644	1.9
362.99783	0.2
386.05911	0.2
396.21558	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	396.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85833	76.1
62.03384	74.5
71.21000	81.1
75.44032	95.5
78.32195	93.6
89.41386	87.2
90.40107	76.3
120.20532	100.0
135.83667	82.8
247.47659	92.0
324.43768	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.187
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
59.01384	44.5
68.32301	0.9
80.96497	14.1
83.04979	1.0
87.04519	6.7
92.19183	1.4
96.96024	0.9
109.05563	1.0
119.10439	1.1
123.08170	2.4
201.09213	2.1
217.15977	1.1
226.07846	1.0
226.53842	1.1
229.12251	1.3
231.13826	2.6
233.15553	1.6
243.17406	1.1
245.15448	19.9
259.17044	2.2
271.13538	2.0
271.16833	1.6
275.16586	5.7
280.73260	1.1
285.15033	1.5
287.16428	8.0
289.14548	1.5
305.17615	4.0
317.17651	1.3
319.19183	2.2
331.15283	1.2
335.18582	1.6
337.16443	1.2
337.20340	4.5
349.16629	1.3
361.16779	4.2
365.09567	1.1
379.17654	1.5
397.18640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23727	0.7
59.01387	100.0
64.60416	0.7
74.40015	0.6
85.02959	1.2
92.19062	0.8
142.77747	0.8
143.88968	0.9
152.11461	0.8
183.03958	0.9
259.17111	1.8
277.18060	3.5
316.27155	0.8
337.20212	22.5
397.22119	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	397.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23494	0.3
56.55846	0.3
59.01385	100.0
66.34755	0.4
68.18018	0.3
68.73335	0.3
77.22144	0.4
80.96509	2.7
82.96120	1.7
86.56853	0.4
106.25383	0.5
106.92725	0.4
131.43561	0.4
194.05251	0.4
248.02814	0.4
269.51093	0.4
289.18414	0.6
315.19751	0.8
337.20224	0.6
397.17203	7.4
397.26147	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	397.2596
Annotation	Ligantrol monoacetate
Peak:m/z	Relative Intensity
53.51524	3.6
56.32378	3.7
59.01384	9.8
60.32535	3.7
66.48966	3.7
97.79903	4.7
99.08196	5.2
111.04520	8.2
140.04761	6.1
141.09233	7.9
149.35895	4.7
153.12859	53.0
179.10762	25.0
181.12352	6.6
197.11845	18.4
199.13448	86.0
215.12813	4.9
229.14441	7.5
251.38011	4.0
255.16058	20.6
263.16534	5.1
267.19687	82.9
275.16605	7.6
293.17560	19.1
311.18628	42.2
327.91644	4.9
361.23907	7.2
379.24902	28.8
397.21689	6.2
397.26059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58047	1.3
55.96590	1.1
59.01383	100.0
61.98831	2.4
72.39823	1.4
73.07739	1.6
81.21922	1.5
84.00903	7.5
87.06712	1.4
92.18453	1.8
102.76839	1.4
150.45393	1.3
166.35703	1.4
172.23727	1.6
276.74246	1.7
320.26059	2.9
322.67789	1.6
338.23761	14.4
338.27570	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	398.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69038	64.9
58.01355	42.1
58.89899	46.7
62.85347	50.3
67.23236	45.4
86.01316	57.9
90.23653	54.0
92.18974	100.0
148.21628	53.0
152.59360	60.2
274.50061	62.6
338.24612	63.1
348.76743	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	399.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02018	0.3
55.93776	0.3
57.03450	0.4
59.01397	2.8
71.05013	0.5
71.15736	0.3
80.96512	100.0
82.96102	1.2
96.96019	0.6
129.32884	0.3
133.06653	0.4
160.26866	0.3
189.09134	0.5
201.12886	1.3
215.14359	3.7
245.19086	1.6
255.17612	1.3
273.18588	9.7
317.17578	23.4
347.38004	0.3
399.14758	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01377	27.5
67.96984	0.7
71.01373	31.7
73.02938	8.3
74.40441	0.9
83.01370	1.8
85.02934	15.4
89.02433	9.6
95.01358	3.9
99.00872	1.9
101.02428	20.1
101.03046	1.5
113.02435	16.0
119.03514	5.5
121.06590	1.8
127.08733	1.2
128.03505	5.1
137.09709	100.0
143.03503	1.2
149.41838	0.8
159.03014	1.9
161.04547	22.5
171.07784	2.2
193.12321	1.4
249.05418	7.7
250.08084	1.1
339.18378	1.4
339.24805	5.2
399.16528	40.2
399.21149	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	399.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.2
59.01379	22.2
71.05009	14.0
77.65022	2.8
87.00865	3.9
100.71905	3.0
131.98164	3.3
133.06679	4.3
133.86124	3.4
182.16792	3.2
189.09297	6.2
201.12888	7.3
215.14444	43.2
245.19211	11.9
255.17513	17.2
273.18607	71.7
307.10965	3.2
317.17712	81.1
317.21326	14.5
339.24728	6.8
399.17752	100.0
399.22421	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	399.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65658	0.1
59.01387	1.2
62.81659	0.1
80.96516	100.0
92.18946	0.1
95.63192	0.1
96.96014	0.2
98.80405	0.1
128.26434	0.1
150.62248	0.1
236.52335	0.1
313.95898	0.1
340.82425	0.1
399.18512	47.1
414.66010	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	399.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92404	12.0
53.09276	10.0
53.34452	10.5
59.01381	100.0
67.66354	12.1
78.44078	12.0
92.18401	15.0
99.64255	14.5
114.10665	13.8
120.73415	16.3
125.09709	19.7
137.09721	14.4
170.83423	13.9
174.16859	16.0
190.51082	14.4
209.11856	72.6
301.21695	54.9
307.19138	86.2
339.24829	24.6
381.22812	53.4
399.23785	26.6
399.29092	14.9
399.34604	26.5
417.74731	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	399.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23203	5.4
59.64452	6.2
66.34128	6.7
82.79736	6.9
84.05000	7.9
91.58616	7.6
131.67679	6.7
180.62009	7.4
209.50009	7.6
301.21768	100.0
305.66544	8.3
338.32724	8.1
344.94980	7.2
399.11530	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	399.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.94041	1.2
62.65274	1.2
76.13690	1.3
83.59599	1.2
89.44680	1.4
92.18713	2.3
95.26158	1.3
99.40069	1.4
123.18663	1.4
168.23589	1.3
172.52176	1.4
339.24957	4.6
399.34897	2.1
404.84589	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	399.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11617	0.5
59.01384	0.7
65.03970	0.5
72.30758	0.6
75.16122	0.6
134.66849	0.6
141.09232	3.2
143.10800	1.4
171.10286	1.4
177.49379	0.6
195.13902	4.2
197.15536	0.9
211.17119	1.4
213.14984	6.5
221.15553	0.8
227.16554	0.8
237.15030	8.2
239.16559	5.1
255.16068	95.4
257.17630	100.0
317.21371	1.4
399.27661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05695	0.5
59.01382	100.0
70.11229	0.6
73.88362	0.6
114.07252	0.7
123.50572	0.6
141.86821	1.3
150.44560	0.6
167.08015	0.6
179.39658	0.9
210.72539	0.7
313.37573	0.8
399.22757	1.4
399.31192	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	401.088
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
59.01158	1.0
59.01382	17.6
61.98819	7.3
71.01366	8.6
74.92311	1.1
76.51690	1.1
88.03668	1.1
89.02434	21.6
92.62943	1.1
96.96000	2.3
101.02426	3.2
113.02432	5.7
117.03445	7.5
119.03492	6.3
121.02988	1.2
125.36717	1.1
149.02380	4.9
161.02422	1.9
168.10033	1.2
179.05685	1.9
191.03430	2.2
225.05844	1.3
268.03656	1.7
269.04544	2.6
281.04553	7.9
282.05182	2.2
283.06131	70.0
295.05807	2.6
309.04077	1.9
311.05637	86.9
313.03461	7.7
323.05679	12.2
328.05786	6.0
341.06601	11.8
341.10812	36.2
365.07123	1.7
365.19461	5.8
401.08704	100.0
401.16199	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	401.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.3
61.98811	2.1
71.01374	15.8
73.02932	1.3
80.96498	7.7
82.96086	5.5
89.02428	29.7
93.58131	1.2
96.96021	2.9
101.02421	11.1
113.02410	10.3
114.37937	1.5
117.03439	2.0
118.75753	1.2
119.03485	9.6
136.91425	1.3
149.02431	1.4
157.71059	1.2
161.02463	1.8
179.05608	6.2
203.03508	2.3
235.51689	1.4
268.04016	1.4
269.04547	3.0
281.04553	4.7
283.06119	81.7
293.04623	2.1
311.05603	86.9
323.05600	8.3
341.06696	7.5
341.10822	65.1
385.09830	1.4
401.08746	100.0
401.17438	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	401.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47500	0.7
59.01166	0.8
59.01382	16.2
59.76189	0.8
61.98817	2.2
67.50774	0.8
71.01388	9.5
72.28533	0.8
80.96503	4.6
82.96088	1.9
87.00876	0.9
89.02436	19.4
90.45979	0.9
92.03212	0.9
96.95988	2.0
101.02431	6.2
101.76543	0.9
111.83678	0.9
113.02449	6.9
114.17679	1.0
117.03459	1.2
119.03480	5.1
121.02965	1.1
149.02428	1.7
153.09251	0.8
161.02425	1.2
166.30363	1.0
179.03491	1.1
179.05638	1.8
189.01907	3.9
191.03444	1.1
195.06651	1.0
203.03416	1.3
204.04301	1.7
205.05046	1.6
221.11737	0.9
232.32381	1.1
269.04474	5.1
281.04391	8.9
282.05200	4.6
283.06134	59.5
288.11902	1.1
295.06116	1.2
297.07550	1.2
309.04129	1.1
309.07684	5.9
311.05627	79.7
323.05682	9.1
324.09912	1.2
341.06616	16.7
341.10849	34.4
353.06772	1.2
355.07904	1.0
365.66324	1.3
371.11322	5.4
383.11533	3.6
401.08710	100.0
401.16440	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98824	49.4
71.01374	44.1
71.08356	3.3
75.00878	16.0
80.96506	4.9
85.02937	29.3
87.00862	16.0
89.02430	50.2
96.96005	4.7
99.00864	8.1
101.02425	20.3
101.20823	3.4
107.05007	57.1
109.02924	5.3
111.43211	3.8
113.02425	48.6
119.03453	7.6
121.02916	7.2
133.02950	17.8
135.04491	6.2
143.03485	4.0
151.04013	19.1
152.26125	3.4
173.84264	3.3
175.02432	4.4
179.03499	83.0
179.05254	4.2
249.06071	33.2
267.07178	57.2
270.22653	3.4
341.10864	56.2
401.10870	96.2
401.16278	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	401.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
57.39661	0.7
59.01373	37.4
60.37354	0.5
63.32716	0.6
69.03454	0.7
71.01370	32.0
72.99301	2.2
73.02934	0.7
75.00861	9.2
85.02936	12.0
87.00853	3.5
87.48337	0.6
88.35419	0.6
89.02426	49.1
90.30717	0.5
93.03396	1.2
95.01355	4.8
99.00851	5.7
101.02429	15.0
103.00388	2.6
107.05003	11.5
108.02142	0.8
109.02889	0.9
113.02425	29.7
115.00396	0.7
117.01897	3.5
119.03474	15.0
121.02934	1.1
123.04444	0.7
124.56642	0.6
129.01930	1.4
131.03468	3.0
133.02921	4.2
134.03714	1.3
143.03488	1.5
149.04520	0.9
151.03972	12.9
152.01105	1.6
161.04578	2.5
162.03252	0.9
175.02441	0.9
179.05612	8.9
189.56575	0.6
193.05042	1.1
193.12578	0.7
201.34488	0.7
241.53500	0.7
248.06335	0.6
249.06157	13.3
267.07169	19.5
341.10861	90.8
357.08084	1.5
401.10837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1232
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
54.23415	1.8
54.98645	1.7
55.24907	2.1
55.59357	2.3
59.01377	23.7
61.98838	16.0
67.87903	1.9
70.04553	1.7
71.01366	12.5
78.58437	2.1
85.02948	4.0
89.02454	18.7
91.03995	4.6
101.02464	7.8
113.02428	5.4
119.03465	9.2
136.01636	12.4
144.92830	2.3
151.04002	21.3
157.74783	2.3
164.04831	3.4
171.10248	18.5
175.04022	27.8
183.13940	9.2
187.12935	2.5
190.06354	31.5
193.12393	2.9
205.08685	10.4
211.13422	27.9
218.35660	2.3
229.14458	16.0
282.05396	21.3
285.04080	5.0
291.19669	3.7
297.07675	81.3
299.09036	5.0
309.17441	2.6
309.20789	11.6
312.10056	72.9
313.03589	29.8
327.04916	7.8
327.08701	55.1
327.12393	30.6
327.21735	49.7
328.05832	16.6
329.23325	35.6
341.10892	46.1
342.11148	16.5
357.13422	100.0
357.17972	3.3
401.08325	13.2
401.12692	70.7
401.20700	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	34.0
60.26168	0.4
66.56766	0.4
71.00980	1.1
71.01369	26.8
73.02920	0.9
84.15251	0.4
84.25378	0.5
85.02943	1.1
85.58582	0.4
87.00857	2.0
89.02423	51.7
90.07775	0.5
95.01359	0.6
96.26827	0.4
100.47309	0.5
101.02422	17.2
113.02419	14.4
118.87495	0.5
119.03476	17.4
128.47534	0.5
131.03467	2.3
143.03474	2.2
147.73814	0.5
149.04529	0.8
158.74547	0.5
161.04533	1.9
179.05602	8.4
211.95555	0.5
341.10849	100.0
401.10886	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	401.1817
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.76572	0.1
55.01880	0.2
57.03455	3.4
58.00568	0.2
59.01379	17.6
71.01375	10.7
72.99312	0.3
73.02950	2.2
81.03435	0.2
82.82533	0.2
83.01366	1.4
85.02937	4.3
87.00855	1.1
89.01903	0.4
89.02433	11.8
95.01376	0.4
99.00858	0.3
101.02435	11.1
102.03188	0.2
113.02424	5.7
119.03474	4.7
119.08643	2.6
121.02869	0.3
121.06522	0.3
125.02409	0.3
131.03435	0.4
137.09709	13.1
139.07620	0.3
143.03485	0.3
149.04474	0.3
149.09688	0.3
151.11174	0.3
161.04616	0.3
161.09729	0.2
167.14397	0.3
177.12825	3.6
179.05571	0.3
193.12308	0.3
195.13892	1.1
205.12326	0.3
219.13681	0.2
220.03639	0.2
221.11786	3.2
223.13364	1.3
235.06049	0.2
239.12881	44.6
243.17606	0.3
281.13947	1.3
294.18564	0.2
341.10895	6.0
365.19623	1.1
401.18167	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	401.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98827	82.2
62.11149	46.2
70.71329	46.0
107.03593	67.4
279.23181	84.5
357.31479	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	401.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	65.8
61.30121	1.2
61.98825	100.0
74.94315	1.2
77.35932	1.1
85.70736	1.5
89.02412	1.7
119.01418	1.3
129.13911	1.3
138.92050	1.4
224.48401	1.3
227.20146	1.5
255.23196	1.8
276.69907	1.7
341.11087	1.7
341.19748	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	403.1035
Annotation	Conyzatin
Peak:m/z	Relative Intensity
59.01370	6.8
62.77067	1.3
80.96502	2.3
82.96087	5.5
96.95977	1.9
128.55956	1.7
131.05058	1.9
135.04509	1.5
136.01643	20.9
147.04454	2.0
148.05289	97.0
151.04012	34.1
161.06059	2.5
163.03951	1.6
163.07629	2.2
192.04227	2.1
193.05072	3.1
207.06609	20.3
218.02180	14.7
233.04546	12.1
299.09216	1.7
308.73624	1.4
403.10263	100.0
403.18375	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	403.1037
Annotation	Psiadiarabicin
Peak:m/z	Relative Intensity
52.17089	0.5
52.28480	0.5
59.01381	0.9
75.61903	0.6
79.26990	0.6
85.44581	0.6
88.51195	0.7
90.88819	0.7
99.12258	0.6
125.76751	0.7
150.03191	3.1
165.05553	5.0
167.63115	0.8
192.04329	4.6
194.49008	0.7
195.06622	2.7
207.06680	1.2
227.59901	0.7
233.47302	0.7
270.01715	1.1
281.04596	1.0
282.05319	3.6
285.04068	19.4
299.05600	1.3
309.04184	1.0
313.03564	100.0
327.05072	9.9
328.05920	49.8
331.24951	0.8
403.10373	91.3
403.19849	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92365	25.2
59.01374	100.0
61.17477	25.2
61.98822	44.4
63.72778	28.8
71.34109	25.5
73.85538	25.6
135.88707	24.3
141.87643	25.0
145.38699	24.3
148.08557	26.4
159.36488	29.9
250.68004	27.4
285.37354	27.9
311.92151	26.8
311.96146	28.7
426.73566	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	403.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
57.49179	0.3
59.01380	4.0
71.01394	0.7
78.95895	0.8
89.02419	1.8
91.03996	13.3
99.08150	4.5
121.10151	0.4
125.09683	1.4
127.11252	2.9
135.47346	0.4
139.11279	8.9
146.45183	0.4
146.70198	0.3
154.09935	0.3
155.10751	0.6
155.14392	0.6
157.12289	1.4
167.01262	0.5
167.14462	0.8
171.10268	27.3
182.96820	0.4
183.13860	5.0
189.25272	0.3
193.12349	2.4
197.02129	0.4
201.11369	0.4
209.11836	2.1
211.13397	34.7
229.14458	21.2
293.21387	2.5
311.22272	9.8
329.23337	100.0
403.18799	4.4
403.26828	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45441	0.6
59.01382	100.0
59.70635	0.6
61.98837	0.8
68.78596	0.6
72.34130	0.6
88.09267	0.6
91.89622	0.7
92.38126	0.7
93.76853	0.7
100.01888	0.7
103.47442	0.7
112.63588	0.7
174.99329	1.0
217.00328	1.3
224.08305	0.8
225.92876	0.7
265.70920	0.7
292.28348	0.8
294.68481	0.8
384.97308	0.8
403.21463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.1
61.98832	0.7
65.52308	0.5
68.77490	0.4
77.85038	0.5
91.04012	2.2
93.79556	0.4
99.08116	3.7
104.48311	0.5
105.51540	0.5
113.09711	1.0
114.94489	0.5
124.63383	0.5
129.09203	7.7
139.11331	0.5
146.76903	0.5
147.98015	0.5
154.76045	0.6
167.10852	0.7
169.12331	9.2
171.10323	1.9
181.12347	6.4
183.13928	2.5
193.12318	4.2
197.11838	4.1
199.13409	25.8
201.11374	2.0
211.13406	24.0
227.12943	2.4
229.14462	2.0
275.20120	1.2
293.21179	6.7
311.22302	50.0
322.12103	0.5
329.23352	100.0
333.16934	0.5
355.86832	0.6
403.26926	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	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63031	0.2
55.96788	0.3
59.05069	0.2
61.98835	100.0
66.31256	0.2
72.40644	0.3
78.65651	0.2
141.17278	0.3
235.27217	0.3
313.55728	0.3
326.59283	0.3
404.10489	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	404.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93983	3.4
59.01389	89.1
61.98841	9.4
65.26308	3.8
74.02459	7.6
89.88342	3.6
104.00861	3.8
116.05075	6.5
156.06642	4.8
201.12476	20.5
203.08284	19.2
241.13539	5.2
263.27667	4.3
285.12415	17.4
330.18256	100.0
376.12817	4.4
404.19165	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	405.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84458	2.1
53.80397	2.1
59.01379	15.0
59.76775	2.5
60.24073	2.7
64.74713	2.7
68.99834	4.4
75.11786	2.6
80.69633	2.6
89.39619	2.3
92.75132	2.6
108.02181	4.8
112.58446	2.9
113.06981	2.4
116.21529	3.0
123.04507	23.3
148.01677	10.9
150.03180	6.2
151.03999	4.4
152.01205	2.6
152.12852	2.9
153.05576	13.5
163.03995	57.9
165.05617	10.6
167.03511	3.7
177.05544	3.8
178.02783	20.6
179.03510	10.8
181.05069	100.0
193.05051	30.0
196.03783	5.1
201.12453	2.9
209.04507	3.9
211.06126	92.2
240.07979	3.0
244.61163	2.8
258.75290	3.3
328.00348	2.9
331.18512	6.6
368.72101	3.2
375.11008	5.9
405.12079	57.1
405.16489	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	405.1554
Annotation	Longipilin
Peak:m/z	Relative Intensity
53.34361	2.2
58.10195	2.0
59.01365	17.3
59.95249	2.0
61.59201	2.1
68.99799	9.3
74.41065	2.3
92.18429	2.7
102.48241	2.2
108.02174	11.3
109.02944	3.5
117.03506	2.5
123.00879	15.3
123.04496	11.2
132.02124	2.4
135.00876	2.7
138.03212	15.7
145.55743	2.4
150.03186	21.4
151.06223	2.4
161.02435	14.2
162.03197	3.3
163.03975	15.0
165.05527	15.0
177.05553	60.2
178.02716	34.1
179.03519	5.3
181.05110	3.2
193.05055	62.0
194.02193	14.4
194.05806	11.4
195.06636	10.1
196.07439	11.1
209.04532	15.7
211.09822	4.6
238.94528	2.3
266.88370	2.4
405.15533	100.0
405.20514	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48856	2.4
53.50300	2.2
57.03453	100.0
59.01112	4.4
59.01388	90.1
71.01387	22.4
73.02935	17.3
77.92466	2.3
79.08691	2.4
83.01366	3.4
89.02435	28.7
99.04519	85.9
101.02451	44.4
113.02430	13.3
119.03507	6.5
123.04478	4.3
125.02469	29.1
138.38121	2.4
149.04517	3.2
150.03236	32.2
162.18723	3.1
165.05598	43.3
180.04381	3.5
194.05876	5.5
195.06610	28.9
197.93422	2.8
209.08286	4.0
289.50146	3.0
303.14490	4.9
405.12119	4.5
405.17615	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	405.1922
Annotation	isoadenolin A
Peak:m/z	Relative Intensity
59.01385	100.0
61.37342	0.5
70.86637	0.4
92.18383	0.6
125.97314	0.5
143.07329	0.6
174.27382	0.6
174.85733	0.6
214.81989	0.6
230.60658	0.5
253.15993	8.6
259.91623	0.7
282.61020	0.6
297.14966	3.2
327.15872	0.6
345.17297	0.7
405.18631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12587	0.4
59.01381	100.0
77.56165	0.5
91.03979	0.7
101.58127	0.5
245.58522	0.5
271.22748	3.5
343.12234	0.5
375.37119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77726	0.4
56.80994	0.4
59.01383	100.0
73.43998	0.5
78.65447	0.5
84.12733	0.5
87.00877	1.0
90.88815	0.5
99.92573	1.1
125.92902	0.6
126.93686	0.7
131.53447	0.5
141.92453	0.6
184.85205	0.5
204.63657	0.5
323.26038	1.1
345.24219	0.9
405.15909	5.5
405.26407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78636	3.0
58.41040	3.4
59.01377	28.2
60.40832	3.3
63.28048	3.0
65.41455	4.3
73.35288	3.3
121.02911	6.1
136.01643	70.5
149.02544	4.0
150.03214	54.9
151.03987	100.0
165.05539	97.9
180.04277	8.0
195.06599	43.4
209.04581	4.4
231.36516	4.1
265.78485	5.5
284.06937	5.6
299.09229	45.5
407.17551	7.4
407.26364	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	407.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42225	0.7
59.01375	6.1
67.01881	0.9
73.10565	0.7
89.02413	1.1
101.02462	0.8
108.02167	4.5
109.02927	9.5
121.02917	1.5
122.03701	3.7
123.04472	7.7
135.04457	1.1
136.01653	0.8
137.02390	0.9
142.49081	0.8
148.01648	18.0
148.93582	0.7
149.02402	6.2
150.03201	55.5
151.03983	4.2
153.05539	22.0
153.06670	1.3
163.03984	56.2
164.04773	4.8
165.01869	3.3
165.05540	100.0
166.02675	12.0
166.59824	0.8
167.03513	1.9
178.02757	4.1
179.03470	1.6
180.04201	7.2
181.05040	82.5
187.44809	1.0
191.79402	1.0
193.05029	10.0
193.06741	1.0
194.02193	2.8
195.06615	42.6
196.03749	5.3
204.65262	0.8
205.53227	1.0
209.04509	20.7
211.06096	89.3
217.05179	0.9
239.05551	8.5
286.08459	0.9
301.10928	1.8
306.95743	1.0
329.10211	1.9
341.10040	1.9
347.16953	1.1
375.10690	4.1
407.09286	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	407.2079
Annotation	Maoesin B, (rel)-
Peak:m/z	Relative Intensity
53.66032	0.4
58.00599	0.4
59.01385	100.0
79.95778	0.4
84.50148	0.4
88.33052	0.4
96.96014	2.5
107.86540	0.6
109.76421	0.5
113.06026	0.4
153.09247	1.1
203.07443	0.5
269.15433	0.7
284.14352	0.5
287.16577	9.4
289.18311	1.6
296.89679	0.5
299.16629	2.9
302.15317	0.9
303.16061	4.3
311.16714	0.5
317.17618	23.7
329.17554	6.9
331.15665	2.3
345.43875	0.5
347.18671	19.7
407.17072	2.2
407.21841	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	407.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	70.4
78.95906	100.0
92.18360	49.8
108.27604	41.9
108.69844	41.6
122.20527	43.4
211.19344	40.9
362.09930	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	407.3168
Annotation	Diacarnoxide C
Peak:m/z	Relative Intensity
67.01881	14.4
71.09376	1.6
74.02715	1.7
93.03456	4.2
95.05016	100.0
95.05634	3.9
139.04045	2.0
149.20493	1.9
190.40836	1.9
192.98886	2.1
241.19675	2.0
267.26941	17.9
272.74777	1.9
355.17856	2.1
363.32690	53.8
407.31607	88.8
407.36560	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	407.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81952	0.5
67.03481	0.5
67.05531	1.2
67.08173	0.5
88.15514	0.6
89.09980	0.6
89.97671	0.8
95.05016	15.6
124.01631	4.2
126.83841	0.6
139.03999	100.0
169.29060	0.5
183.90215	0.6
196.39397	0.6
198.44354	0.6
204.01578	0.7
207.04266	0.6
207.65561	0.6
219.97394	0.6
225.55475	0.5
262.01306	0.6
279.23218	1.1
365.17224	0.8
407.31522	6.9
428.57346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.276
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
57.08272	0.9
59.01379	1.7
84.04533	1.7
95.63370	1.2
100.07686	2.6
102.05603	45.8
116.64885	1.1
128.02568	1.8
128.03535	49.2
146.04555	7.7
190.30824	1.1
190.84772	1.2
253.23827	1.3
279.23303	34.6
304.64682	1.2
364.28799	5.7
385.27078	1.1
390.26447	2.4
408.27603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0235
Annotation	Ombuin 3-O-sulfate
Peak:m/z	Relative Intensity
55.12090	0.3
56.90104	0.2
59.01382	7.4
67.11435	0.2
76.88931	0.2
81.77718	0.2
88.25925	0.2
95.18309	0.3
110.77457	0.3
114.41284	0.3
122.95975	0.3
158.30113	0.3
161.02571	0.3
169.72690	0.3
203.10834	0.3
227.03514	1.2
258.61090	0.3
271.02475	2.6
299.01981	47.1
313.03574	2.0
314.04346	89.2
329.06674	100.0
406.00668	0.3
409.02332	10.9
409.22302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1293
Annotation	Cilinaphthalide B
Peak:m/z	Relative Intensity
58.55527	0.4
59.01370	2.1
75.00879	0.5
78.95893	2.8
80.23624	0.4
92.18455	0.6
93.03457	2.3
96.96951	2.1
105.03444	0.6
108.02155	0.5
117.03455	52.6
118.04237	49.2
119.05010	5.8
121.02945	63.3
123.04505	15.7
133.02940	15.4
134.03755	4.7
145.02937	12.2
149.02419	0.7
152.99614	2.2
162.03220	17.7
177.05557	12.1
255.06706	4.8
270.08969	2.4
281.08206	2.3
295.09888	1.1
296.10757	0.9
311.12787	0.6
315.19418	1.1
321.11267	0.7
325.10846	9.1
331.16821	0.9
365.14026	10.4
409.12943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05502	0.6
55.17910	0.7
57.03239	0.6
57.03448	10.3
58.20772	0.7
59.01375	26.8
67.35326	0.6
71.01373	11.7
73.02924	11.0
75.00854	0.7
83.01389	3.6
85.02932	22.1
87.00845	1.1
89.02437	11.0
97.06592	1.2
99.00893	0.8
99.04513	5.7
101.02419	15.1
103.00348	6.9
113.02424	6.5
113.06052	1.6
114.33295	0.8
118.08386	0.8
119.03475	4.4
122.03703	1.7
123.04504	4.3
133.58496	0.8
139.36093	0.7
143.03479	0.9
149.02414	5.2
150.03197	46.4
161.04550	1.6
164.04771	3.1
165.05540	100.0
179.05605	1.7
180.04269	5.7
195.06590	30.4
196.96649	0.7
201.09248	0.8
213.07722	2.8
214.61687	0.8
265.09247	20.4
265.58011	0.8
286.08499	1.6
301.11047	1.4
307.10345	6.2
361.12817	4.5
409.13577	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	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88493	0.7
57.03443	5.6
59.01385	11.5
60.83821	0.8
61.65274	0.9
61.97799	0.8
64.67922	0.8
71.01376	3.7
73.02939	4.8
83.01384	1.5
84.77870	0.7
85.02934	10.2
87.67475	0.9
89.02439	4.2
91.85193	0.8
92.18363	1.9
99.04549	1.3
101.02425	7.5
103.00357	5.2
113.02444	1.6
119.03460	1.0
121.02988	1.0
122.03726	1.4
123.04494	2.1
149.02464	1.8
150.03210	44.8
152.31325	0.8
161.04645	1.2
164.04784	4.0
165.05557	100.0
165.33334	0.8
170.20430	0.8
180.04294	4.9
183.99834	0.8
195.06622	28.7
213.07710	3.3
227.69145	0.9
258.64584	0.9
265.09296	10.2
286.08365	1.2
301.11029	1.6
307.10297	4.8
361.13083	3.4
409.14240	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	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87441	1.9
57.03460	22.1
59.01385	35.2
70.06258	1.9
71.01379	11.6
72.09032	1.8
73.02927	1.8
75.00870	4.4
85.02950	12.3
89.02487	2.1
95.01408	3.2
99.00875	4.5
99.04498	20.7
101.02444	13.1
113.02443	14.9
113.09711	9.0
125.02469	10.9
159.10263	69.1
161.04562	3.5
174.93890	2.1
239.11827	1.9
249.06345	4.0
265.12943	10.4
307.14050	7.8
409.11499	3.3
409.17224	100.0
432.84460	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2229
Annotation	Rhodomollein XII
Peak:m/z	Relative Intensity
54.06300	1.5
59.01376	100.0
77.06779	1.8
90.98572	2.6
92.18751	2.0
96.96006	4.5
97.65840	1.8
99.02716	1.8
109.33228	2.0
111.04496	3.0
111.76023	1.9
152.99675	1.9
153.59514	1.8
257.66177	2.0
283.16937	2.3
287.20227	2.6
293.48740	1.9
305.21121	7.1
319.19171	3.2
331.19290	2.6
349.20209	37.4
409.18140	2.3
409.22507	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2235
Annotation	Rhodomollein XII
Peak:m/z	Relative Intensity
54.79050	0.2
55.77200	0.2
59.01383	100.0
73.02926	2.1
99.04536	0.5
100.68260	0.3
101.39021	0.2
126.60819	0.2
136.98053	0.2
148.69579	0.3
153.09219	0.9
190.52988	0.3
245.15508	1.0
259.16882	0.3
271.17172	0.4
289.18103	11.9
301.18201	2.8
305.17596	4.2
319.19153	30.8
331.19180	4.3
333.17068	2.2
349.20221	20.3
409.17633	0.4
409.22433	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	409.2228
Annotation	Rhodomollein XII
Peak:m/z	Relative Intensity
55.86623	0.8
58.22060	0.7
59.01374	100.0
64.48988	1.0
81.56850	0.9
83.05025	1.0
83.27148	0.8
95.45050	0.8
96.95955	1.0
135.04530	1.1
185.11414	0.9
289.18106	3.4
299.01947	15.3
314.04279	27.6
319.19254	11.9
329.06610	38.6
331.19287	1.4
349.20151	12.6
409.02377	1.7
409.22644	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	409.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82186	2.2
53.19585	2.0
57.69389	2.3
59.01127	3.8
59.01379	100.0
76.66098	2.3
84.00921	3.5
89.54767	2.7
123.00648	6.1
273.85440	2.9
327.29050	63.2
409.29337	84.3
415.66422	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	410.2913
Annotation	(9Z,12Z)-3-hydroxyhexadecadienoylcarnitine
Peak:m/z	Relative Intensity
51.63019	1.5
57.06566	1.6
57.63501	1.6
61.26708	1.9
72.72897	1.6
78.95891	2.3
102.05611	39.8
112.05172	2.3
116.82652	1.9
128.03534	42.8
136.27122	1.9
140.70784	1.7
146.04572	8.4
157.64191	1.8
203.73486	2.0
281.24924	33.0
297.24442	4.5
298.24716	9.5
322.31268	2.7
366.30228	4.6
368.93167	2.3
392.28070	4.0
410.29132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2392
Annotation	Rhodomollein XIII
Peak:m/z	Relative Intensity
53.74157	0.3
59.01383	100.0
62.73971	0.3
75.00863	0.3
80.96516	0.6
89.88804	0.3
96.31782	0.3
109.60823	0.3
109.81734	0.3
153.09232	0.3
180.92381	0.3
196.08339	0.4
238.57449	0.3
303.19711	1.7
329.17697	1.3
351.21683	4.7
365.65109	0.4
409.12891	0.3
411.14899	9.3
411.23849	7.5
423.41208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2392
Annotation	Rhodomollein XIII
Peak:m/z	Relative Intensity
59.01383	100.0
61.63213	0.4
71.93324	0.4
72.81709	0.5
73.02955	0.8
75.00874	0.9
86.43059	0.6
135.29874	0.6
137.09711	0.6
149.09767	0.9
153.09207	3.6
279.17596	1.1
282.16229	0.8
285.18527	9.0
297.18726	3.4
303.19742	3.1
315.19641	8.8
331.19235	0.8
333.17252	0.7
333.20618	4.1
351.21802	24.9
411.15637	1.3
411.24106	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	411.2393
Annotation	Rhodomollein XIII
Peak:m/z	Relative Intensity
50.08169	1.3
57.03460	1.7
58.26973	1.5
59.01384	60.9
66.28478	1.4
71.41631	1.6
73.02951	6.8
95.05000	2.1
113.06087	13.5
120.21741	2.0
153.09186	3.5
211.13406	3.4
221.11752	2.0
229.14500	7.1
233.11519	13.6
235.13364	6.5
249.11295	2.1
251.12898	2.5
256.10950	2.1
263.13129	1.9
297.18555	2.3
315.19742	2.7
321.55954	1.8
329.23334	11.1
333.20572	1.9
351.21768	100.0
378.89069	1.8
411.23840	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70070	0.3
59.01380	100.0
61.81960	0.3
170.43182	0.4
254.45396	0.4
304.81238	0.4
308.69263	0.5
434.27344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
59.01383	8.6
60.68863	0.9
63.86426	0.9
70.20434	0.9
93.78992	1.1
99.00220	2.0
99.00877	61.4
99.04510	44.6
108.48936	1.1
129.05562	1.1
130.22528	1.0
152.69130	1.0
154.08067	1.1
168.89418	1.2
267.26990	7.9
281.24921	5.1
321.31647	2.2
329.26053	1.6
349.30920	1.8
367.32184	27.1
411.31235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00594	0.5
59.01389	53.7
69.13953	0.6
80.21745	0.6
84.04568	0.8
90.05608	3.3
114.05659	0.6
184.45049	0.6
206.48326	0.7
261.22321	9.1
279.23352	11.7
304.26495	31.5
320.26001	21.4
352.28629	100.0
412.09930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1242
Annotation	Dulxanthone G
Peak:m/z	Relative Intensity
56.00377	1.2
59.01391	9.5
63.96218	1.6
78.61832	1.4
82.00438	1.2
105.54426	1.3
117.03432	3.4
119.05011	37.0
133.02892	1.7
134.03737	50.0
135.04509	2.4
135.59291	1.4
145.02959	19.2
149.06076	7.8
160.01628	8.1
161.02437	2.0
163.04018	38.6
172.00974	1.4
175.04005	10.0
177.05542	2.7
193.05051	36.0
219.06555	2.0
234.05244	1.7
235.06128	1.7
306.83871	1.6
329.23526	2.6
413.12442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75797	0.9
55.69267	1.0
57.03159	1.6
57.03447	79.6
59.01376	100.0
61.98818	1.2
63.44780	0.9
69.76160	1.1
71.01373	9.4
72.32836	1.3
73.02934	4.8
79.95725	1.5
80.96500	12.1
81.03445	1.8
83.01395	1.9
85.02946	5.2
89.02399	1.6
95.62220	1.3
96.96001	1.7
99.04501	83.1
101.02419	30.5
113.02432	5.1
116.16033	1.0
118.26305	1.4
125.02425	38.2
143.03468	2.8
159.03030	1.1
161.04552	2.3
161.29489	1.3
224.80812	1.2
269.10339	8.6
287.04984	1.2
294.29065	1.4
311.11322	11.8
351.14529	2.1
353.19495	1.8
353.23404	2.8
413.16409	26.6
413.25189	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	413.1646
Annotation	Hymatoxin A
Peak:m/z	Relative Intensity
50.09283	0.6
57.39861	0.6
59.01387	14.8
67.48278	0.6
74.36402	0.7
80.96517	100.0
96.96074	0.7
112.64027	0.6
154.94003	0.6
156.75131	0.7
157.70279	0.8
188.62473	0.8
205.35487	0.7
216.79515	0.6
331.19177	8.8
353.23483	3.0
413.16489	72.5
433.71039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73822	0.4
55.01875	0.7
56.58361	0.5
57.03444	1.2
59.01380	25.9
69.03449	0.7
71.01376	34.0
73.02939	13.5
73.32958	0.5
77.30980	0.5
81.96848	0.6
83.01378	6.1
85.02935	16.1
85.03403	0.9
87.00847	1.1
88.60561	0.6
89.02431	12.7
92.18461	0.6
95.01371	3.5
97.02947	2.3
97.63873	0.6
99.00861	5.2
99.33966	0.5
101.02432	38.7
113.01693	1.0
113.02442	19.6
119.03449	4.9
125.02406	2.4
129.01942	2.3
131.03491	0.7
143.03482	1.2
145.06573	3.5
159.03015	2.9
161.04558	15.1
174.67317	0.6
179.05566	2.7
229.74199	0.5
251.11340	28.8
259.36557	0.7
349.74615	0.6
413.16632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72363	1.4
59.01370	4.5
69.24638	1.7
71.01365	6.8
72.02181	1.9
73.02923	9.9
89.43486	1.9
181.54845	2.0
225.16475	3.9
254.16829	1.8
263.19284	2.3
269.19107	3.5
287.20105	10.4
331.19122	100.0
413.19446	76.8
427.04572	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	413.2198
Annotation	Tentoxin
Peak:m/z	Relative Intensity
54.64320	0.7
59.01381	6.4
59.76039	0.7
72.35057	0.7
74.95249	0.8
83.02503	1.8
84.04544	1.4
91.05502	3.4
92.19032	0.8
98.03080	0.8
101.07190	1.5
102.05608	3.2
111.05668	1.0
112.02783	1.0
113.03564	9.5
119.05071	1.0
123.05617	3.7
127.05068	1.3
128.05069	1.1
132.08200	4.4
141.06705	100.0
153.10355	3.5
154.06247	3.6
158.06084	1.3
167.04565	3.5
171.09291	1.2
180.11359	1.1
186.08034	1.4
203.08238	1.3
214.07478	27.6
215.08292	15.7
217.09755	4.3
228.09082	1.2
243.14955	7.5
246.12526	5.4
254.14897	1.6
256.12195	3.6
271.14563	37.8
295.13205	1.2
296.14117	2.1
299.15167	1.4
310.15808	1.1
338.18878	1.3
339.18243	9.2
353.23331	1.5
354.20767	1.1
356.19940	1.2
369.22925	7.1
413.21939	93.2
435.20612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.61481	0.5
78.93884	0.4
109.31590	0.5
113.77227	0.4
133.33772	0.5
190.32951	0.6
244.57265	0.5
289.50494	0.5
290.14224	0.5
429.61627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79338	1.3
59.01385	100.0
102.52672	2.1
116.50680	1.5
117.20404	1.6
193.09821	1.9
248.20937	2.0
254.24883	6.8
301.21918	6.3
325.32294	11.7
353.31747	31.5
388.48123	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	414.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96126	66.8
59.80581	73.5
83.06145	80.2
93.24319	75.6
129.66855	84.0
141.10127	78.2
153.71721	78.8
180.95078	100.0
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
55.01883	0.5
59.01378	14.0
62.60654	0.4
69.03437	0.9
71.01376	25.1
72.99297	5.2
73.02944	6.6
75.00860	0.7
80.33028	0.5
80.96534	0.5
83.01382	2.6
85.02935	10.5
86.12468	0.5
87.00843	0.8
89.02425	7.3
95.01376	1.3
95.04993	1.0
97.02962	4.4
98.86148	0.6
99.00878	3.3
101.02425	18.0
103.12952	0.5
105.07092	1.3
107.04996	0.9
108.05801	2.9
109.06580	0.6
109.84771	0.5
110.28122	0.7
111.08120	0.6
113.02428	11.2
113.06080	5.0
119.03506	2.1
122.03720	0.6
123.04535	0.6
123.08128	4.0
125.06082	8.3
136.03996	0.8
136.05241	0.7
138.06836	9.0
139.07639	10.3
143.03458	0.9
146.23557	0.6
149.06078	0.9
151.07629	24.3
152.04799	3.3
152.08411	24.5
153.09196	100.0
159.03015	1.9
161.04535	16.3
165.09225	2.5
167.07268	0.7
173.09721	2.1
179.05521	0.5
189.09250	0.8
191.10780	24.6
191.12421	1.1
209.11821	33.7
263.07675	5.8
284.23007	0.6
371.17184	1.3
415.16147	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	415.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49563	0.5
57.03437	3.2
59.01378	4.3
62.39727	0.7
65.68031	0.6
72.99298	0.8
76.12908	0.7
79.70588	0.7
80.96510	34.0
81.03422	0.9
96.96014	1.5
99.04533	1.2
101.02446	1.0
109.02944	1.5
151.04181	0.8
153.01955	1.3
153.05579	4.1
197.04581	1.7
209.65630	0.8
265.49344	0.8
271.08286	1.7
289.17932	0.8
291.19788	0.9
313.09293	1.2
315.19504	1.3
333.20721	65.9
353.12674	1.1
357.23749	0.8
367.52051	0.8
415.13425	4.6
415.18042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48395	1.0
58.96058	1.1
59.01376	1.0
77.00655	50.7
89.77290	1.3
93.65415	1.2
103.40892	1.1
143.15225	1.3
146.30733	1.4
201.58347	1.2
279.23236	6.2
284.69427	1.3
320.72809	1.5
331.00354	1.4
337.21759	100.0
415.23154	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2343
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
52.17683	0.6
59.01363	5.8
61.98819	10.6
69.19143	0.7
72.99284	1.0
74.44132	0.7
84.00880	9.5
85.01225	1.5
85.04063	2.1
91.05536	1.4
99.80045	0.8
101.07176	4.8
104.67736	0.8
110.81292	0.9
112.02761	1.1
113.03532	5.0
118.33448	0.8
125.09745	0.9
141.06679	17.2
141.10364	1.1
143.11841	6.7
146.06093	5.1
156.07765	5.7
160.07645	1.7
169.09857	5.3
171.10251	1.1
172.10812	1.4
186.05605	5.7
188.35605	0.9
197.12985	3.5
201.10266	1.8
215.21410	0.9
217.09779	4.5
228.17120	26.5
242.11884	1.3
245.12943	1.1
248.14096	1.1
255.15025	1.0
264.15891	1.0
265.16678	4.9
271.10910	8.2
273.15918	6.7
279.18222	1.8
313.63562	1.0
330.23572	3.6
341.19803	4.5
371.24530	1.7
415.23499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41879	0.3
56.40983	0.4
59.01380	100.0
99.25373	0.3
299.53656	0.4
362.61154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96432	0.5
63.89294	0.6
66.63560	0.6
71.12613	0.6
72.00906	6.3
88.04007	0.9
102.41259	0.6
102.77320	0.7
126.51097	0.7
146.08266	3.0
147.04527	30.1
153.18016	0.7
164.07185	100.0
168.86139	0.6
180.59406	0.6
218.10301	0.7
234.51764	0.7
250.93854	0.7
380.15714	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	417.0831
Annotation	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.38952	0.2
59.01376	0.3
64.13736	0.2
80.35796	0.2
92.18468	0.3
96.96001	11.0
115.75462	0.2
139.91696	0.2
141.64471	0.2
158.96690	0.2
161.02466	0.4
178.86972	0.2
200.93056	0.2
203.03542	0.2
225.99510	0.2
227.03650	0.8
237.82162	0.2
252.38835	0.2
271.02573	1.3
285.04053	2.3
299.01978	40.5
313.03531	8.8
314.04349	80.6
327.05045	0.9
328.05923	3.5
329.06683	100.0
417.08124	4.7
417.19574	41.0
419.28061	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	417.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01384	17.4
71.01389	12.7
72.99300	3.3
73.02935	2.0
73.98125	1.7
75.00867	26.2
85.02937	13.9
89.02432	6.9
93.03487	1.9
95.01414	2.7
96.96012	7.3
99.00858	4.3
101.02442	2.5
113.02443	18.0
123.04518	23.4
150.00992	2.1
153.01962	7.0
167.03510	58.3
184.33057	2.0
189.04118	2.2
231.05273	2.5
237.11494	2.6
241.07297	2.6
249.06189	24.7
249.35286	1.7
267.07297	9.3
341.10910	3.4
365.53436	2.1
417.10474	100.0
417.16760	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29325	0.2
59.01373	6.3
59.01656	0.4
64.43630	0.2
71.01366	4.7
72.99300	1.0
75.00860	100.0
75.54069	0.2
83.81722	0.2
89.02427	10.8
92.18903	0.3
98.94324	0.2
101.02431	4.4
103.63783	0.2
104.03532	0.4
113.02412	3.2
119.03484	3.9
131.03514	0.4
143.03494	0.3
149.04570	0.3
161.04488	0.5
179.05609	2.2
185.21826	0.4
196.48593	0.2
304.36386	0.2
340.32928	0.3
341.10861	33.4
417.12506	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	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61572	0.9
55.01879	1.9
59.01380	100.0
59.06838	1.0
62.61713	1.1
69.03449	6.2
71.01374	77.9
72.99316	1.7
73.02931	11.1
74.04109	1.1
75.00873	5.5
76.52467	1.1
81.03452	1.9
83.01386	5.8
85.02942	17.6
87.00859	6.5
87.42434	1.2
89.02435	84.4
91.23260	1.1
93.03441	49.7
95.01376	6.4
97.02895	9.2
99.00865	4.8
101.02430	61.2
111.00941	1.3
111.40197	1.3
113.02435	37.9
119.03479	41.5
125.02428	34.3
131.03470	5.9
139.04012	2.0
141.01917	1.3
143.03453	9.5
149.04543	2.4
154.02711	1.3
161.04567	15.0
167.03517	2.7
179.05605	26.7
193.42654	1.2
204.20093	1.3
221.06644	21.0
245.06633	2.4
263.07764	8.8
323.09818	98.0
359.51166	1.5
417.14063	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	417.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
79.23597	0.4
120.65296	0.4
283.68442	0.5
335.83969	0.5
336.18390	0.4
348.81299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23146	2.3
59.01389	14.0
62.77876	2.5
65.76827	2.9
71.07291	2.7
101.90553	2.7
116.27044	3.2
143.36925	2.8
160.05318	25.1
163.03976	4.3
175.07654	43.2
178.06367	22.9
192.07907	3.7
193.08688	3.0
193.56993	3.5
207.40698	3.2
329.14001	100.0
361.17654	3.4
362.88983	3.5
365.49829	3.3
384.76907	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	419.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62462	0.5
57.70524	0.5
58.29906	0.7
59.01380	100.0
60.84394	0.6
85.25230	0.6
92.18536	0.7
116.30545	0.7
255.23289	25.4
283.26364	1.3
292.87527	0.8
335.17542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74054	0.2
55.06235	0.2
57.04539	0.2
59.01381	0.4
85.02921	0.2
101.02444	1.6
126.07284	0.2
128.58086	0.2
131.03506	0.4
163.06128	3.3
218.00974	0.2
255.23318	100.0
400.35504	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	421.0751
Annotation	alpha-Maltose 1-phosphate
Peak:m/z	Relative Intensity
54.11023	0.2
55.01040	0.1
55.76434	0.1
57.48222	0.1
57.98051	0.2
59.01372	1.0
64.50322	0.2
71.01361	1.2
72.48984	0.2
78.95889	80.5
89.02425	0.9
93.93372	0.2
96.96938	77.8
101.02405	0.3
113.02377	0.3
128.19231	0.2
136.93968	2.1
138.93736	0.3
138.98001	5.9
150.97986	25.2
156.12347	0.2
162.98026	1.5
168.99104	0.2
178.95020	4.0
179.95135	0.2
180.94769	2.2
180.99080	1.6
192.98964	0.3
199.00096	0.3
204.99010	1.4
223.00098	7.0
234.96001	1.5
236.94096	2.7
241.01157	34.6
259.02133	2.3
278.95108	9.1
278.98077	0.4
280.95831	1.0
280.99149	0.7
301.06018	0.2
320.96240	0.9
322.96078	2.9
322.99979	0.3
342.94458	1.1
348.56241	0.2
360.95013	2.8
421.07477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91712	0.3
59.01373	8.1
63.96234	27.5
71.01369	7.4
78.91907	0.5
78.95488	0.5
78.95900	8.6
78.98579	100.0
85.02938	0.5
87.00871	0.4
88.67054	0.3
89.02424	16.4
96.95995	0.4
96.96945	5.9
101.02417	6.7
102.48306	0.3
113.02410	5.4
119.03478	7.1
131.03488	0.6
132.78104	0.3
140.27496	0.3
143.03485	0.8
150.97977	1.6
161.04527	0.6
179.05626	4.0
220.32628	0.3
222.75014	0.3
223.00186	0.5
241.01181	2.4
259.04901	0.5
267.06830	0.4
341.10861	45.8
401.18613	0.4
421.10016	11.9
422.95114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1631
Annotation	5,7,2',4-Tetrahydroxy-3-geranylflavone
Peak:m/z	Relative Intensity
50.24300	2.5
54.54324	2.3
57.03454	3.4
59.01374	17.0
60.99916	3.0
65.03909	2.8
71.01381	12.1
75.00868	6.1
75.75382	2.5
80.58626	2.8
81.03437	3.7
85.02950	13.4
87.00881	4.1
89.02412	2.7
92.18305	4.8
93.03439	4.1
108.02155	4.6
109.02920	48.2
109.30016	2.5
110.48155	2.4
113.02444	15.0
137.02444	21.9
153.01927	64.1
171.02934	3.7
223.06157	5.9
248.68341	2.9
249.06219	17.4
267.07169	16.0
387.09244	18.9
421.10678	15.0
421.16266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
60.47668	1.9
61.98849	2.2
65.78416	1.6
78.95897	10.0
140.01172	2.4
152.99428	1.9
170.37056	1.9
175.29269	2.0
178.94771	1.9
196.03775	10.3
225.18573	100.0
299.41077	1.9
325.68451	1.8
356.03104	1.9
407.97275	2.1
422.23083	53.0
433.37134	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.9
57.21694	0.6
59.01374	16.8
71.01361	16.1
71.64188	0.6
72.99294	3.5
73.02929	1.1
75.00859	19.7
83.01375	3.0
85.02933	21.4
87.00866	5.9
88.90218	0.7
89.02429	8.7
92.18426	0.8
92.80105	0.6
95.01369	1.4
99.00870	7.3
101.02451	6.1
102.77139	0.7
102.98578	2.9
111.00875	0.7
112.01585	1.0
113.02422	23.6
115.00359	1.4
117.01915	1.3
119.03485	1.6
124.01616	2.8
129.01884	1.2
131.03499	1.1
135.04472	1.2
139.03966	4.8
144.04449	0.8
145.14566	0.8
157.07614	1.3
173.04507	1.0
179.03525	1.2
203.08203	3.7
219.07745	3.0
232.92960	0.7
283.04880	0.9
284.05118	3.3
423.15027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2028
Annotation	Toxin HT 2
Peak:m/z	Relative Intensity
59.01381	100.0
70.53529	1.5
85.42867	1.3
88.78833	1.3
110.13084	1.6
125.09708	10.9
165.05557	1.5
187.09761	9.3
204.50964	1.2
319.19180	1.7
363.18167	3.3
423.09341	2.1
423.19653	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2024
Annotation	Toxin HT 2
Peak:m/z	Relative Intensity
59.01377	100.0
66.27947	0.2
71.05004	0.2
80.54813	0.2
86.14759	0.2
153.18152	0.2
325.86606	0.2
363.18234	0.8
423.20294	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	423.2518
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
52.67969	0.3
54.12777	0.3
60.49604	0.2
67.01881	0.4
78.95485	0.4
78.95891	6.5
83.04977	1.2
85.02924	1.3
110.97784	0.4
110.98511	6.9
111.04498	0.5
113.02454	2.5
120.98344	0.3
126.61338	0.3
130.72182	0.3
167.01144	9.2
185.02188	2.8
225.59360	0.3
227.20096	1.4
255.23299	100.0
321.99194	0.3
379.32184	0.5
423.25253	42.9
423.31055	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	423.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59267	3.3
57.03439	5.7
61.98826	17.9
67.01888	15.3
74.72298	2.7
78.95892	3.6
79.72291	3.0
85.02938	53.3
87.00843	7.3
110.98559	4.5
111.04505	5.1
113.02420	100.0
113.03141	5.7
157.01395	5.1
167.01137	5.5
196.90491	4.1
238.40781	3.6
255.23299	74.2
269.52988	3.7
293.28680	5.2
341.21793	4.1
351.32547	14.7
379.32159	30.8
423.25146	34.6
423.31158	82.9
438.40466	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	424.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28484	0.6
76.77054	0.7
78.53411	0.8
78.95906	3.2
79.47150	0.8
82.53769	0.7
88.21812	0.9
103.65012	0.7
140.01181	1.3
152.99615	1.2
178.61548	0.8
196.03786	0.8
203.10661	0.8
214.04785	2.8
227.20155	100.0
418.61435	0.9
424.24695	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	424.2472
Annotation	Lythranidine
Peak:m/z	Relative Intensity
61.98809	2.1
71.86257	0.3
78.95894	9.9
92.18370	0.4
97.02022	0.3
98.31593	0.3
119.69089	0.3
130.70024	0.3
152.99600	2.7
168.04265	2.6
194.19290	0.3
199.17033	100.0
224.06923	6.5
242.08009	1.3
243.24698	0.3
297.64661	0.4
334.16290	0.4
424.24731	40.7
438.32455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01377	14.7
68.14172	1.2
71.01370	18.1
72.99294	2.0
73.02933	1.1
75.00858	23.4
83.01361	1.6
85.02931	28.1
87.00854	6.2
89.02454	1.5
95.01357	2.4
99.00867	7.1
101.02419	11.4
113.02417	28.4
115.00332	2.0
125.02395	1.1
128.50398	1.3
130.09380	1.0
150.36069	1.1
158.00655	1.1
161.04475	1.2
189.57066	1.1
226.17766	1.2
323.09576	1.4
425.16605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2184
Annotation	Macrocalyxin G
Peak:m/z	Relative Intensity
53.59286	0.7
59.01384	100.0
75.00871	24.5
86.02013	0.9
89.15228	0.9
100.86928	1.0
115.47620	0.8
138.34215	0.9
193.83379	1.0
303.19641	2.2
305.17581	2.3
317.17505	2.3
347.18710	1.5
365.19650	8.5
425.21811	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	425.3061
Annotation	CHEBI:70578
Peak:m/z	Relative Intensity
90.78543	1.4
102.05090	1.3
105.01781	1.5
121.06556	1.6
133.36099	1.6
149.06056	100.0
176.08362	1.7
410.28339	13.6
425.30579	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	426.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31163	1.2
58.02975	2.0
59.01380	7.8
74.02470	9.7
79.43948	1.1
86.02481	2.2
87.00884	3.0
88.98843	1.7
99.05638	10.5
101.06097	2.1
111.33757	1.4
127.05141	1.4
128.03522	32.3
141.06696	2.3
143.04604	48.9
145.06192	1.6
146.04532	2.7
147.50009	1.3
153.06679	5.4
160.00705	16.3
166.09784	1.5
167.04645	2.4
167.08275	2.3
179.04668	10.9
185.05603	2.4
203.52721	1.4
210.08826	14.3
242.07755	2.0
254.07704	4.5
272.08890	8.2
288.06470	2.0
306.07663	100.0
426.12851	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	426.3016
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
54.39397	1.1
58.02975	5.0
63.20954	1.0
67.45609	1.0
67.92709	1.1
72.00887	2.4
89.62276	1.2
89.88641	1.3
91.05517	12.0
105.49378	1.2
117.80164	1.2
147.04524	19.9
158.13867	1.2
164.07169	57.5
164.74843	1.3
232.02745	1.2
344.28839	1.5
426.30118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05442	1.3
55.64394	1.4
57.03458	98.1
57.28079	1.7
58.84327	1.7
59.01088	3.6
59.01385	85.9
60.99306	1.5
71.01372	14.0
73.02962	2.3
74.99084	3.2
75.00873	3.8
79.95725	1.6
80.96518	6.7
85.02976	2.8
89.02441	22.9
96.21156	1.5
96.96032	2.8
99.04522	100.0
101.02440	33.1
113.02473	13.7
119.03455	3.9
119.38723	1.6
125.02438	33.5
136.99123	2.4
143.03549	4.0
149.04633	2.9
153.28314	1.6
160.01642	7.6
161.04585	7.2
175.04001	23.8
190.45430	1.9
218.92671	1.8
221.06728	2.3
295.06201	3.3
301.17935	6.5
307.06189	3.1
310.08331	3.2
319.19281	2.9
325.12924	7.1
349.20349	4.1
363.23865	1.9
365.15842	2.9
367.21271	15.6
391.09448	2.0
427.15170	62.2
427.23380	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	427.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26635	1.5
51.48816	1.5
53.11609	1.3
53.72820	1.3
55.45370	1.3
59.01374	14.6
70.51140	2.0
80.96503	29.9
87.04428	2.0
92.18414	2.3
101.04304	2.5
110.08314	1.7
171.34938	1.7
203.05756	1.8
206.52580	1.8
209.00191	1.8
211.12614	1.9
235.54047	1.9
257.45303	2.0
293.19382	7.1
299.14688	1.7
303.19562	4.2
319.17422	9.5
337.18365	100.0
345.17023	9.1
355.19492	22.0
367.21094	8.4
383.17862	3.5
383.22592	69.0
427.14319	21.2
427.21567	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	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.15619	0.4
83.37240	0.5
91.04001	2.2
102.86466	0.5
183.13913	0.7
195.13780	0.6
199.04320	0.6
270.69211	0.5
275.20142	1.0
293.21149	15.6
310.89453	0.5
322.20914	0.5
358.44449	0.5
412.35175	0.6
442.34344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80766	0.4
59.01383	100.0
63.28812	0.5
68.45464	0.5
77.09471	0.6
82.56821	0.5
91.99290	0.6
135.43774	0.5
173.55284	0.6
227.96149	0.5
252.58127	0.6
293.21277	2.5
307.88870	0.5
367.24954	0.8
405.12436	0.6
431.82892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01391	0.4
98.59183	0.4
99.00882	0.7
113.92673	1.8
136.93828	0.4
161.77467	0.4
173.09525	0.4
196.12881	0.4
209.17798	0.4
255.23289	9.5
256.56717	0.4
280.23801	0.8
294.20908	0.5
294.24353	1.9
320.36810	0.5
412.33154	0.6
428.30887	0.8
428.36090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1247
Annotation	mannosylglucosylglyceric acid
Peak:m/z	Relative Intensity
55.76542	0.4
59.01377	2.8
66.51687	0.4
71.01380	1.1
76.34409	0.5
84.37790	0.5
85.02937	0.5
87.00863	100.0
88.98771	0.8
89.02447	4.4
89.34210	0.5
101.02448	0.9
113.02437	0.8
119.03464	0.8
127.23206	0.5
137.66913	0.5
301.21844	0.5
302.16220	0.6
321.60956	0.5
341.10910	11.9
429.12454	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	429.1401
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
53.98750	1.1
59.01365	7.5
63.49779	1.1
69.50652	1.2
71.01372	2.1
71.32200	1.0
73.02905	1.4
80.96488	2.3
83.96200	1.0
85.02909	1.3
89.02438	4.0
101.02413	5.6
108.10748	1.1
112.48252	1.1
113.02425	2.1
117.03419	7.8
119.05000	11.6
121.05068	2.1
145.02946	100.0
163.03992	24.2
171.27180	1.2
172.30037	1.2
205.05132	1.3
267.08890	1.4
273.91373	1.2
274.27173	1.4
429.14014	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81450	0.7
59.01379	100.0
63.55637	0.8
65.20671	0.8
71.36028	0.7
75.00856	18.3
75.44317	0.6
85.84343	0.9
93.00932	0.9
94.17537	0.7
105.32588	0.8
116.97770	0.7
156.92284	0.7
161.59178	0.7
279.23160	1.4
293.24847	3.2
295.22711	6.9
311.24026	1.4
337.24063	1.3
426.58014	0.9
429.28677	13.5
449.53085	0.8
452.11346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.64836	0.3
60.09771	0.2
75.26970	0.3
86.85310	0.3
116.75764	0.3
295.23053	0.3
309.41577	0.3
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
50.05053	0.2
50.44186	0.2
58.20378	0.2
59.01384	100.0
62.18228	0.3
64.23784	0.2
65.97977	0.2
67.96437	0.2
71.40104	0.3
79.85229	0.3
86.10691	0.2
91.03995	2.2
93.05924	0.3
112.37134	0.2
121.79223	0.3
125.09789	0.4
207.55609	0.3
231.72887	0.3
277.21750	0.6
295.22781	17.3
347.18530	0.4
369.26633	1.1
429.19122	0.4
429.29892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3006
Annotation	7alpha-Hydroxy-3-oxo-4-cholestenoate
Peak:m/z	Relative Intensity
50.87942	0.5
56.36818	0.6
57.03432	0.9
59.01094	0.9
59.01374	15.9
61.98831	0.9
69.03442	0.7
71.01399	0.6
81.03443	1.1
83.04990	0.9
89.02428	0.8
99.00864	6.1
99.92550	0.6
100.93347	8.3
107.05022	17.6
107.05721	1.2
109.06572	28.3
115.92052	15.4
116.92770	0.7
121.06557	1.3
123.04424	0.6
131.77284	0.6
149.09633	0.9
166.90318	0.7
172.95435	0.9
177.73587	0.6
259.20645	4.6
261.22220	3.6
275.23761	5.0
277.25339	14.4
279.23227	3.0
313.28879	0.8
315.26852	0.7
357.28012	7.3
367.29993	9.3
369.27991	3.2
370.28690	12.7
385.31094	49.0
402.27618	0.9
413.11136	0.8
413.16592	0.7
429.19696	4.1
429.30035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73322	0.5
58.00587	0.7
58.56392	0.6
59.01371	28.2
63.86942	0.6
71.01371	19.9
73.52766	0.6
85.02925	1.1
87.00851	32.0
88.00385	9.3
88.01182	7.7
88.04028	9.9
89.02427	55.8
101.01774	1.4
101.02413	17.6
113.02431	13.4
119.03468	19.8
125.02502	0.7
131.03474	3.2
143.03462	1.5
161.04486	1.5
179.05574	9.8
290.02383	0.8
341.10855	100.0
342.11060	3.9
416.34109	0.8
430.12485	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	431.0982
Annotation	Vitexin
Peak:m/z	Relative Intensity
58.14308	0.3
60.48731	0.4
65.26057	0.4
66.78880	0.4
69.65112	0.4
70.94721	0.4
72.21923	0.4
72.85842	0.4
77.50810	0.4
87.14195	0.4
117.03436	2.9
135.04524	0.7
149.02454	2.3
161.02502	1.9
163.04042	0.8
179.03525	0.6
191.03572	2.2
203.03490	0.6
216.16899	0.4
225.05663	0.7
239.07271	0.6
267.06693	0.5
268.03842	2.0
269.04602	2.3
281.04672	1.8
282.05429	1.8
283.06119	69.2
293.04553	3.4
295.06116	0.8
309.03989	0.8
311.05624	100.0
314.04333	0.7
323.05612	5.4
341.06653	7.5
431.09830	94.1
434.48163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.51876	0.5
55.74215	0.4
59.01384	4.0
61.98836	0.5
64.96712	0.5
65.53761	0.5
80.96492	2.6
84.13234	0.5
96.95971	2.8
117.03422	0.8
135.55386	0.6
149.02420	0.6
155.23482	0.5
192.43600	0.6
259.80139	0.6
268.03772	100.0
269.04572	27.9
283.06174	2.2
298.04776	1.3
302.78647	0.7
311.05441	3.1
313.10767	1.3
341.06564	1.2
431.09720	77.7
431.16437	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	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
70.49908	1.0
76.31697	1.1
82.32735	1.0
88.98806	1.8
89.02440	2.5
110.34664	1.0
117.03510	1.9
135.04468	1.9
143.54520	1.1
161.02460	2.3
163.04018	1.5
191.03482	1.2
234.55983	1.2
239.06891	1.3
281.04474	1.3
283.06122	64.5
311.05606	100.0
323.05618	4.6
341.06735	7.8
371.24509	1.2
381.10315	1.2
431.09784	35.4
431.16232	3.1
431.17444	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	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88586	0.5
56.62830	0.5
59.01377	4.0
61.97947	0.5
80.96497	1.3
88.98789	0.8
96.95969	1.1
98.71587	0.5
98.92503	0.6
105.36044	0.6
107.17981	0.6
116.38621	0.6
117.03412	4.3
130.91615	0.6
135.04510	0.6
149.02455	1.4
151.03993	0.7
159.04449	0.6
161.02499	1.3
163.04007	0.9
175.97653	0.5
191.03481	1.2
203.03401	0.8
222.48396	0.6
255.63190	0.6
268.03757	1.4
269.04535	2.3
281.04593	2.5
283.06110	64.2
293.04565	2.6
298.04794	0.6
309.04062	1.1
311.05609	100.0
314.04358	0.6
323.05557	5.7
341.06693	6.3
431.09805	74.7
431.16919	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48640	0.2
59.01373	1.4
60.31123	0.2
60.99300	9.3
64.22858	0.2
65.61990	0.2
71.01366	1.2
85.06550	0.2
88.98788	100.0
89.02424	23.3
96.26316	0.2
101.02421	1.1
113.02438	0.4
119.03458	0.9
197.20847	0.3
199.50752	0.2
205.12817	0.3
234.22356	0.3
282.00681	0.2
341.10837	6.7
431.13980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
60.88177	0.8
68.99836	3.3
81.26720	0.8
88.98802	1.4
95.17950	0.9
111.72556	1.0
120.43233	0.9
123.00815	1.5
138.03210	7.6
153.05550	12.5
165.01897	1.2
177.01949	22.4
191.03519	4.1
192.02890	1.0
192.04279	97.0
193.01447	5.7
207.06631	100.0
208.03784	15.3
208.10178	1.0
223.06091	21.0
224.06789	1.4
431.04541	2.2
431.13586	11.1
443.98999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07331	0.3
59.01386	5.7
60.99317	4.2
62.73650	0.3
71.01376	4.2
80.71384	0.3
88.98803	41.1
89.02440	100.0
100.14710	0.3
101.02425	3.0
109.42302	0.4
113.02435	2.8
119.03506	3.7
143.03444	0.5
179.05629	2.1
327.51532	0.3
338.80457	0.4
341.10904	24.4
431.14133	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	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42163	0.5
57.03450	1.3
58.31141	0.5
59.01376	1.3
71.10126	0.5
74.31246	0.6
79.23463	0.5
92.19231	0.6
97.06579	5.3
123.08143	2.6
125.09720	96.2
143.10783	0.6
169.08693	4.9
187.09773	100.0
249.63475	0.6
261.13504	9.7
315.38358	0.6
431.22925	84.4
453.58624	0.7
459.01663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41525	0.4
56.56515	0.4
59.01380	100.0
61.63128	0.4
61.98829	1.0
62.13690	0.4
62.80414	0.4
67.78734	0.4
70.66819	0.4
72.85258	0.4
75.00844	3.3
115.72021	0.5
119.74419	0.6
155.38155	0.5
175.51225	0.5
279.23346	2.3
280.23547	1.1
297.24240	4.3
312.25613	2.3
313.25720	9.1
339.25494	2.1
359.29736	2.0
362.78821	0.6
431.31329	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98832	1.8
74.40617	1.4
77.74127	1.3
94.82108	1.6
229.59554	1.8
297.24338	15.7
331.46170	1.8
334.50940	1.5
431.31454	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	431.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41196	0.6
52.68187	0.7
54.61304	0.6
55.43727	0.6
57.36374	0.6
58.90408	0.7
59.01375	100.0
65.53285	0.7
78.95888	0.8
103.00368	0.8
128.39278	0.8
136.97232	0.8
163.66710	0.7
261.49893	0.9
297.24387	1.1
431.31726	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	433.1139
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
59.01394	1.6
59.73939	0.3
61.98836	0.4
70.58047	0.4
73.68121	0.3
78.65137	0.4
91.38226	0.4
106.13284	0.4
127.11264	0.4
138.78314	0.4
170.88083	0.4
270.01740	2.5
281.04483	2.0
282.05258	3.6
285.04044	19.0
288.73184	0.4
298.04593	0.5
299.05545	2.0
309.04059	2.0
313.03543	100.0
327.05078	9.0
328.05878	43.5
401.08575	0.6
433.11383	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08722	1.8
54.84173	2.0
59.01368	42.8
68.75321	2.3
71.01362	33.7
72.99290	27.1
73.02969	3.3
75.44995	2.2
85.02934	4.6
88.98809	6.0
89.02419	71.0
89.02962	2.7
91.00347	100.0
92.18353	5.0
101.02419	23.0
113.02426	16.2
119.03479	18.6
130.08716	16.6
131.09065	5.2
131.87340	2.8
143.03493	9.7
161.04518	3.3
167.45653	3.0
179.05563	18.6
190.48895	2.5
213.84613	2.6
222.02943	2.6
281.55646	2.3
323.09677	9.6
332.86841	2.6
341.10840	54.2
356.15756	2.5
433.13165	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	433.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71862	1.3
51.73779	1.2
55.83065	1.4
57.03442	6.3
59.01380	36.3
71.01378	11.1
73.02936	1.7
75.00834	2.1
75.07242	1.4
75.10322	1.7
85.02927	1.7
87.00853	1.8
89.02437	14.5
91.00368	7.4
99.04486	8.9
101.02416	6.8
109.02930	33.0
113.02438	8.5
115.04926	1.7
117.94012	1.9
119.03470	2.7
120.74979	1.8
125.02424	8.3
143.03395	1.6
152.01129	2.8
153.01926	100.0
153.03180	3.4
154.02707	17.2
161.04576	2.6
167.03471	4.0
168.04265	79.4
169.05055	37.6
179.05591	3.6
183.02788	6.1
184.71332	1.6
207.08824	6.4
211.06229	2.8
229.06993	2.6
269.17233	1.8
289.08475	3.1
323.09659	3.2
341.10931	6.9
351.13028	6.3
373.11343	76.7
433.13629	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	433.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87298	1.5
58.96402	1.7
59.01379	2.1
70.20832	1.5
80.26727	1.5
95.01371	1.6
96.14815	2.0
108.02176	2.0
111.11472	1.6
111.39949	1.9
123.00858	4.2
138.03195	3.2
139.00363	11.1
139.03957	4.1
152.01129	7.5
153.01945	2.2
153.05522	2.2
166.02623	2.3
167.03534	6.7
177.05545	2.8
181.05034	2.2
192.04343	2.9
193.05061	16.9
205.95139	1.6
207.06645	4.0
214.32057	1.8
242.78328	1.7
270.33646	1.8
343.08237	3.1
351.21744	2.6
358.10626	11.1
373.08939	3.2
373.13104	15.7
403.09674	13.2
418.12607	6.6
433.15100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80955	1.0
59.01363	5.5
61.69328	1.0
68.99810	11.3
78.51595	1.2
89.02397	2.1
92.18400	2.3
96.96011	1.6
98.86838	1.3
106.74939	1.4
113.54698	1.2
119.53975	1.2
123.00829	1.7
125.02369	2.5
128.50475	1.3
138.03201	13.7
139.04051	2.5
153.01894	9.1
153.05553	30.7
161.02393	6.1
165.01871	5.7
168.04245	22.2
175.00351	1.7
176.01128	18.5
176.04758	14.0
177.01846	2.2
177.05562	2.6
178.02647	6.2
179.03462	13.2
180.04222	5.4
191.03471	33.7
191.07086	7.8
192.04266	15.0
193.01422	27.4
193.03163	1.8
193.05035	16.1
194.05820	43.0
205.05093	1.7
207.06604	70.6
208.03752	49.3
209.04634	1.5
209.08170	40.1
223.06102	77.5
224.06915	16.2
385.12878	2.3
403.13803	7.8
415.14020	11.8
433.14932	100.0
433.24393	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	433.2446
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
57.03457	0.5
59.01384	20.8
65.65934	0.4
71.01378	10.6
72.99312	0.6
73.02940	1.0
83.01389	1.0
85.02927	1.2
86.91314	0.6
86.91831	0.5
89.02438	14.0
95.01347	0.7
101.02436	12.0
113.02435	4.5
119.03497	6.0
125.02359	0.5
131.03432	0.6
167.37025	0.5
193.16125	0.7
209.19160	1.3
225.58896	0.6
243.14906	0.6
253.18120	11.7
271.06143	0.8
271.19153	4.6
308.26938	0.6
313.06100	2.3
433.24442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20299	0.9
55.40641	0.9
59.01369	4.7
61.20816	0.9
61.70202	0.9
71.01380	2.5
71.36235	1.0
74.99096	7.6
85.02949	1.4
85.81797	1.1
87.00864	5.1
89.02425	1.9
96.96008	1.6
96.96955	1.3
101.02428	2.5
101.92612	1.0
110.43656	1.1
113.02444	2.5
117.97317	1.4
128.93051	1.1
128.93951	1.3
147.90729	1.2
149.02467	7.7
150.03192	20.4
161.04530	2.3
162.03188	1.8
164.04799	19.3
165.05542	100.0
177.05490	2.1
180.04265	2.5
195.06606	38.0
211.42093	1.1
251.80382	1.1
255.56566	1.2
274.65356	1.1
299.04285	5.0
327.10809	33.8
333.85861	1.1
350.83026	1.4
357.11975	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1663
Annotation	Huazhongilexin
Peak:m/z	Relative Intensity
53.08718	0.5
58.51671	0.4
59.01377	0.9
59.97764	0.5
68.99821	5.6
85.43723	0.5
120.01230	1.3
123.00854	0.9
125.02424	0.8
138.03224	5.7
139.04013	3.1
153.01944	8.2
153.04385	0.8
153.05563	17.0
160.01648	0.7
165.01941	2.3
168.04276	14.2
176.01126	13.7
177.01944	1.4
177.05530	0.8
178.02669	5.0
179.03389	0.7
180.04297	4.1
181.05121	4.2
191.03496	26.2
192.04286	9.5
193.01421	14.3
193.05060	12.8
194.05765	1.4
195.06529	0.8
196.07423	14.0
205.04941	0.6
207.06627	54.3
208.03781	32.4
208.05774	0.7
209.04570	4.2
210.05396	0.6
211.09796	8.8
223.06125	44.0
224.06888	10.6
235.84480	0.5
238.04797	0.6
240.67218	0.6
375.27676	0.7
405.15457	0.6
435.16602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03168	1.3
50.31747	1.4
52.57723	1.4
53.21585	1.6
54.93023	1.5
57.03444	2.3
59.01101	2.2
59.01379	55.7
61.98828	21.8
68.94011	1.7
71.01382	6.5
72.99287	3.2
75.00865	16.5
76.06987	1.6
85.02944	13.9
87.00864	6.6
89.02419	3.1
95.01356	3.2
99.00868	9.3
101.02454	2.2
101.06070	94.4
113.02430	11.4
117.01933	1.9
128.10364	1.9
234.85561	1.8
343.58823	1.8
435.18747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3482
Annotation	5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol
Peak:m/z	Relative Intensity
51.17303	1.5
68.61389	1.3
75.14046	1.4
76.20184	1.4
79.78262	1.7
83.05014	8.1
92.18491	2.4
95.42738	1.4
97.06542	1.7
107.05018	2.1
111.04520	22.8
111.08128	3.1
121.06561	8.9
121.67670	1.7
123.08143	13.8
125.02460	3.0
125.06068	10.8
126.03227	5.9
138.03214	16.7
139.04027	1.9
139.07664	6.6
149.06071	10.2
152.04781	10.8
167.07135	12.5
210.50510	1.5
407.35242	8.3
417.33875	3.0
432.00119	1.4
435.34769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09019	0.4
58.64043	0.5
59.01384	1.2
72.23683	0.5
78.95914	10.6
126.82475	0.6
140.01202	5.6
174.05774	0.6
196.03822	9.4
208.04562	0.5
214.04933	1.1
221.19133	0.6
223.69327	0.7
239.20190	100.0
436.24747	54.3
436.30896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
63.28499	0.6
71.01362	8.9
71.05026	1.4
82.27000	0.5
88.04025	76.4
92.08405	0.6
93.90032	0.7
93.98827	0.6
98.03315	0.6
100.94972	0.6
107.56997	0.6
113.17609	0.6
116.03445	0.7
146.08209	37.3
218.10310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2312
Annotation	CHEBI:67692
Peak:m/z	Relative Intensity
55.31582	10.0
55.70404	10.1
59.01383	28.7
65.99418	11.1
89.81796	11.1
92.18424	16.8
121.82578	11.7
140.14964	10.8
144.65004	14.5
154.51364	13.5
180.18103	11.6
437.23004	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	439.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02497	0.2
56.99483	0.2
63.47647	0.3
68.46446	0.2
70.64248	0.2
78.95893	17.7
79.95702	0.6
96.95996	100.0
96.96942	63.0
113.25968	0.3
133.52577	0.3
156.43425	0.3
439.08521	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	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	24.1
96.95997	26.0
96.96949	100.0
107.31451	0.2
109.94711	0.2
147.40233	0.2
251.44562	0.2
284.11972	0.2
341.10593	0.3
439.08615	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	439.2473
Annotation	25R-Spirostan-4-ene-3,6,12-trione
Peak:m/z	Relative Intensity
53.07032	2.4
53.99691	2.2
57.95237	2.4
59.01385	100.0
60.91005	2.4
70.25747	2.5
82.59044	2.7
100.51287	2.7
122.50114	2.7
183.32982	3.1
242.31693	2.9
287.16559	11.0
293.12262	3.0
317.17630	17.7
347.18826	4.7
349.20309	3.7
379.21310	7.1
379.87863	3.0
439.10654	3.7
439.24484	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2469
Annotation	25R-Spirostan-4-ene-3,6,12-trione
Peak:m/z	Relative Intensity
54.57261	10.2
59.01381	60.5
78.04543	9.6
79.66888	8.8
81.58056	9.0
183.02530	9.3
204.52745	11.3
439.24466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00838	0.6
51.42074	0.8
53.29528	0.8
54.66914	0.6
59.01391	6.9
66.21813	0.6
71.01030	0.7
71.01379	7.8
72.70645	0.7
72.99294	1.0
75.00867	8.5
85.02945	8.8
87.00874	3.3
89.02434	3.1
95.01376	3.1
96.96941	0.8
99.00865	5.1
103.00363	0.7
106.31820	0.7
113.02437	12.5
115.00365	1.3
128.05043	1.3
137.40477	0.7
144.04546	16.1
146.04956	1.7
146.06111	44.0
160.04041	3.2
162.05630	3.9
172.04018	11.3
180.85573	0.8
190.05104	33.3
196.36351	0.8
204.83733	1.0
206.04636	0.9
231.05016	1.3
249.06165	19.7
267.07117	3.3
389.21088	0.9
422.11127	1.0
440.11954	100.0
463.48706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3008
Annotation	Paxisterol
Peak:m/z	Relative Intensity
56.68694	0.5
57.03448	0.9
59.01383	7.6
59.48205	0.6
60.90220	0.6
65.77650	0.6
69.03443	1.3
69.68462	0.6
81.03452	1.0
83.05023	0.9
85.02919	1.1
86.91037	0.5
87.00845	0.6
97.06515	0.5
100.39870	0.8
106.27541	0.6
107.05025	21.1
109.06577	31.0
121.06489	0.7
129.01895	0.6
131.45203	0.6
149.09641	0.9
251.47482	0.6
271.20715	5.5
273.22226	3.6
279.23376	1.4
283.13333	1.0
287.23865	6.6
289.25357	12.5
298.15860	0.8
313.23666	0.8
369.27908	6.1
379.30002	7.9
381.28082	3.6
382.28793	12.4
397.31125	49.6
405.27811	2.9
423.29013	11.3
441.30099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89042	0.6
59.01386	3.1
60.47568	0.6
68.60661	0.6
76.72315	0.7
80.48540	0.7
88.04048	1.2
91.32941	0.6
106.02968	3.1
126.03932	0.7
130.40700	0.6
134.02472	18.0
138.22092	1.0
160.04054	3.5
162.01959	100.0
180.06647	1.0
206.04376	0.9
283.80106	0.9
332.16006	0.9
370.62167	0.9
442.13290	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	443.1348
Annotation	Ecbolin A
Peak:m/z	Relative Intensity
52.41893	1.3
55.77462	1.3
58.49007	1.5
59.01373	7.9
60.46519	1.3
60.86712	1.4
66.74505	1.6
69.03439	1.7
97.40395	1.9
107.58002	1.7
116.92855	2.0
117.03526	5.2
129.25912	1.6
133.02940	3.0
133.59911	1.8
134.03737	88.2
149.06047	15.1
160.01656	11.7
161.02435	2.2
175.04018	18.4
178.02646	2.0
193.05066	54.0
223.15132	1.7
234.05286	3.5
438.59140	2.2
443.13474	100.0
457.57935	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	443.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.9
59.01374	31.9
64.17495	0.5
71.01366	25.7
71.01760	1.2
72.99293	0.8
73.02922	0.7
83.01382	0.7
85.02932	2.7
87.00841	0.9
89.02422	50.4
91.62401	0.6
95.01374	0.8
96.95995	1.0
96.96926	1.3
98.94913	0.6
98.95559	2.1
100.94604	6.2
101.02416	44.1
113.02419	14.8
119.03469	19.3
131.03433	2.3
143.03474	2.8
149.04533	1.0
161.04533	3.4
179.05589	9.1
323.03458	0.6
341.10849	100.0
383.12039	0.7
410.32434	0.7
443.13806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48979	2.7
56.24962	2.8
59.01378	62.4
64.95235	12.1
67.12170	3.0
71.01367	4.0
74.00702	3.3
75.00850	7.1
95.58867	2.9
99.98608	12.4
108.14780	3.2
109.04057	4.3
110.02422	3.2
111.01975	100.0
111.05605	3.7
112.00388	7.4
114.02071	3.5
137.03549	77.4
137.81448	3.0
145.99193	4.1
174.53439	3.8
185.02188	17.1
202.99548	19.2
314.61322	3.1
377.20810	35.4
409.18063	49.2
431.29749	3.6
443.16696	47.6
443.21771	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	443.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26278	1.0
54.17503	0.9
54.49834	0.9
56.03107	0.9
57.03435	1.2
59.01372	21.1
61.98827	4.6
63.47646	1.0
71.01366	29.4
72.07043	1.2
73.02924	9.8
73.10146	1.0
83.01376	4.7
85.02930	9.3
87.00849	1.3
89.02437	17.4
92.18922	1.6
95.52229	1.1
96.96887	1.4
97.17036	1.1
99.00854	5.3
101.02419	32.7
101.84031	1.0
104.69719	1.0
111.00809	1.2
113.02432	16.4
115.03938	1.3
119.03492	2.0
131.03479	4.5
143.03485	1.6
146.08249	1.3
149.04498	2.0
159.02991	1.8
161.04526	22.8
191.05598	1.3
209.04425	1.1
251.11339	29.3
341.10843	6.6
380.15588	4.8
383.15555	100.0
401.08017	1.2
443.06564	1.2
461.12012	1.1
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	Mitoxantrone
Peak:m/z	Relative Intensity
55.01889	0.7
57.03458	0.7
59.01385	31.6
65.42981	0.4
67.61722	0.4
71.01379	16.4
71.72864	0.4
72.99301	0.5
73.02937	4.0
83.01368	3.7
85.02946	7.4
89.02442	14.6
89.59521	0.5
95.01379	0.9
99.00863	0.7
101.02446	18.0
106.02970	0.8
113.02438	9.0
119.03500	5.5
128.03531	0.6
134.02455	1.8
134.03714	0.5
149.00099	0.5
152.01167	1.0
160.97528	0.5
162.01971	7.4
162.43962	0.5
175.03990	3.0
178.02742	0.7
189.12849	1.0
191.07169	1.8
193.05070	8.2
235.06076	2.9
265.07123	0.8
281.06769	0.7
295.08301	1.9
306.07684	0.5
334.24466	0.5
355.10388	1.1
383.09897	1.7
432.45959	0.5
443.19260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
63.51761	0.9
63.63440	0.9
66.56698	1.2
75.00853	1.0
96.45512	1.1
100.53727	1.1
109.57460	1.0
139.15106	1.1
309.20776	5.7
343.56396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08503	0.5
59.01384	100.0
79.72729	0.6
91.04010	1.1
153.84015	0.6
156.51801	0.6
197.11807	2.5
199.13379	0.6
277.62106	0.6
291.19638	2.3
309.20764	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	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44590	1.0
59.01387	100.0
62.62533	1.0
70.31181	1.1
72.74818	1.0
75.03047	1.0
90.98566	1.6
91.04019	1.7
145.11792	1.6
161.32845	1.2
179.31387	1.2
211.13411	6.1
251.16646	1.7
269.82550	1.3
285.17169	1.8
291.19669	12.0
309.20764	18.4
331.19101	2.4
365.23526	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	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46359	0.6
59.01380	100.0
66.74081	0.8
89.43109	0.8
111.79432	0.7
118.53292	0.8
165.89774	0.8
171.10161	1.3
200.59073	0.9
221.79108	0.9
270.50171	0.8
291.19620	4.6
292.08331	0.9
300.79828	0.8
309.20724	12.0
318.37854	0.8
332.85056	0.9
443.30322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66555	0.1
57.28564	0.2
59.01389	1.5
62.36426	0.2
63.51001	0.2
71.70097	0.2
84.99416	0.2
85.02942	0.4
101.02435	1.9
109.38975	0.2
131.03423	0.2
134.04573	0.2
163.06140	2.1
172.86003	0.2
225.27904	0.2
273.59549	0.2
279.23291	100.0
443.31400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3166
Annotation	CHEBI:68044
Peak:m/z	Relative Intensity
57.03438	0.6
59.01115	0.6
59.01380	9.9
69.03446	4.6
85.19746	0.4
107.89358	0.5
109.06573	25.8
113.02431	2.1
120.47121	0.5
137.06096	0.7
141.01675	0.9
150.03398	0.5
279.23322	13.3
284.20654	0.4
311.27499	2.8
327.26880	4.0
337.29105	0.7
341.28470	16.8
343.30032	25.0
355.30222	3.4
361.23538	6.7
365.28580	6.6
369.31638	0.8
371.29428	9.5
371.33301	6.1
381.27841	2.2
381.31805	2.8
383.24435	1.1
383.29535	66.5
397.31137	7.1
399.32684	83.2
443.31668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3169
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
51.33421	0.5
52.89593	0.5
53.58640	0.6
55.30807	0.5
57.03448	0.7
59.01385	6.4
59.02317	0.5
71.66417	0.6
80.54341	0.6
81.03459	0.7
81.62567	0.6
97.06587	1.1
107.05023	17.7
109.06580	23.5
120.12476	0.6
121.06581	0.8
128.77191	0.6
144.49071	0.7
149.09694	1.1
273.22290	3.3
275.23767	3.0
279.23178	4.6
289.25412	6.5
291.26929	14.1
329.28601	0.8
343.58301	0.6
346.58569	0.6
361.23630	2.2
371.29480	7.0
381.31598	8.2
383.29599	3.8
384.30325	12.4
399.32730	43.1
443.31714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41740	0.8
51.69846	0.5
56.06224	0.5
59.01380	100.0
59.72104	0.6
61.27236	0.5
69.25787	0.6
78.07402	0.8
87.01891	0.7
102.94952	0.7
110.54178	0.7
279.23279	1.7
420.70685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0781
Annotation	Apigenin 4'-glucuronide
Peak:m/z	Relative Intensity
59.01387	15.3
59.77959	1.0
69.80334	0.9
71.01370	6.5
73.02931	1.7
80.96505	2.3
82.75336	0.9
85.02939	1.1
89.02417	6.8
101.02441	5.8
113.02447	4.7
119.03529	1.5
123.04513	4.1
152.08415	1.3
153.09152	1.8
157.69383	1.0
161.04558	1.3
161.06023	2.0
167.03497	1.8
179.05568	5.1
195.04831	4.4
221.06718	1.1
225.05402	1.0
255.02977	3.8
267.02933	1.2
268.03735	11.5
269.04575	95.2
281.04510	1.2
283.02951	1.0
283.06088	1.7
284.03375	1.4
296.03381	6.4
297.04071	59.7
309.04077	9.0
311.05569	4.5
312.02789	2.1
325.03619	17.9
327.05142	26.3
337.03656	3.7
339.05167	1.7
355.04712	7.8
385.18719	8.1
427.07275	0.9
445.07745	100.0
445.15881	4.5
469.05417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1143
Annotation	Cytisoside
Peak:m/z	Relative Intensity
59.01414	1.0
71.01393	0.2
76.11247	0.1
78.95904	0.2
80.96556	0.8
85.02967	0.2
87.00884	0.2
89.02473	0.2
89.81559	0.2
93.03443	1.4
96.96993	1.0
101.02463	0.3
110.39971	0.2
117.03410	2.0
137.02408	0.2
138.05659	0.2
154.22321	0.2
161.02449	0.7
161.04610	0.2
163.02806	0.2
163.03995	1.5
174.03453	0.2
177.01996	0.2
187.04037	0.4
193.05110	0.2
193.45908	0.2
205.05087	3.3
205.12389	0.2
207.03018	0.4
209.99677	0.2
210.67737	0.2
216.00658	1.2
231.03004	3.0
235.06190	0.3
255.03064	0.4
267.06665	0.3
268.03711	1.3
269.04553	3.1
279.57956	0.2
281.04581	2.0
282.05359	19.8
283.02490	0.3
283.06076	0.4
293.04578	3.3
295.02710	0.6
295.06134	2.4
296.03317	0.2
296.06610	0.2
297.04071	41.7
309.04181	1.3
310.04837	2.4
311.05579	1.0
314.04343	2.9
323.05685	2.3
325.03922	0.5
325.07199	15.1
327.05115	0.3
327.08524	0.3
335.05826	0.3
339.05130	0.4
355.08264	1.1
357.13837	0.2
369.06241	0.2
385.09253	0.6
445.11414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49154	0.4
53.12311	0.3
54.94974	0.3
58.55542	0.4
59.01374	31.1
62.20260	0.4
62.53307	0.4
66.03558	0.4
66.06718	0.3
75.00858	10.8
89.02386	0.8
92.18965	0.6
94.65281	0.4
96.73853	0.5
103.00355	100.0
103.88271	0.5
159.33575	0.4
164.01541	0.4
169.15135	0.4
182.12234	0.5
341.10852	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1351
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
55.01861	0.9
56.84006	0.3
56.90224	0.3
57.03442	2.1
58.02978	0.4
59.01379	8.6
59.02467	0.3
71.00982	0.6
71.01369	17.7
72.99293	2.7
73.02934	4.2
73.97179	0.4
75.00863	16.9
83.01362	2.5
85.02935	25.6
87.00858	6.7
89.02421	2.7
89.57000	0.4
90.31071	0.3
90.47839	0.3
95.01365	3.2
97.02900	0.4
99.00873	7.7
100.41673	0.3
101.02426	8.2
103.00366	0.6
112.01637	1.8
112.95724	0.4
113.02428	24.9
115.00340	2.5
117.01900	0.9
125.02406	0.5
147.43115	0.4
161.04547	1.6
162.44757	0.4
173.04495	0.5
175.02440	1.4
240.47989	0.4
251.47774	0.4
268.31342	0.3
269.10309	0.7
313.16568	0.4
327.10950	0.5
368.09048	0.4
445.13489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31334	2.7
58.29996	3.0
59.01372	48.6
71.01371	36.1
73.02934	6.7
78.95898	6.8
80.96496	15.0
81.46636	3.2
85.02937	24.6
87.00831	6.3
87.21629	3.2
89.02440	7.3
96.95978	13.5
96.96941	20.3
101.02446	28.0
108.62145	3.4
113.02424	21.9
119.03472	4.2
137.09723	14.7
150.32086	3.3
161.04523	25.6
168.91922	3.2
179.05620	4.6
204.11572	4.7
205.12332	100.0
277.14517	5.2
297.03934	6.5
303.72787	3.7
308.55365	3.6
325.43430	3.8
355.17853	18.5
367.17603	51.3
401.21921	5.0
445.10156	25.1
445.15527	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01382	66.0
65.19018	0.4
66.51351	0.4
68.98728	0.4
71.01378	21.0
72.32956	0.4
73.02948	4.5
83.01374	1.0
85.02942	8.3
87.00871	0.5
89.01882	0.5
89.02433	16.1
95.01361	1.9
96.95977	0.6
97.02946	0.8
99.00895	1.9
101.02430	15.1
108.05791	0.6
111.48862	0.5
113.02433	11.2
113.06075	0.9
119.03465	5.1
121.02955	2.3
123.08137	0.9
125.06071	3.2
126.42605	0.4
136.05318	0.8
138.06856	3.6
139.07642	4.6
143.03510	1.7
151.07657	8.6
152.04767	0.4
152.08424	16.3
153.09203	44.8
159.03000	1.1
161.04550	13.2
165.09163	1.9
167.07236	0.7
179.05583	2.8
191.81955	0.5
205.12344	17.7
206.26067	0.4
223.13403	14.3
275.57584	0.4
385.18683	100.0
445.15405	1.8
445.20895	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	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79059	0.5
59.01376	100.0
103.90933	0.5
143.58966	0.5
181.16795	0.6
219.84720	0.5
311.22260	2.2
329.22195	0.6
445.29666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2964
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
51.74945	1.0
53.77382	1.1
55.53924	0.9
63.37928	1.3
69.03445	2.2
74.47332	1.1
109.06587	58.0
167.46979	1.3
230.37198	1.3
281.24808	6.5
289.25330	1.9
309.06363	1.3
329.24738	1.4
329.28522	41.6
357.31717	17.5
383.29657	14.6
401.30563	44.0
407.29285	6.5
425.30426	5.6
427.31973	5.3
445.29416	100.0
457.69611	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	445.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87693	0.2
59.01377	0.9
85.02946	0.3
88.57566	0.2
92.18444	0.3
101.02438	1.2
104.23396	0.2
111.00278	0.2
163.06102	2.4
168.95447	0.2
195.08963	0.2
281.24860	100.0
385.17136	0.3
428.79468	0.2
445.28934	0.3
445.33322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52099	0.7
58.56067	0.7
59.01379	100.0
65.12698	0.9
93.40457	0.8
94.15098	1.0
105.16450	0.9
215.79515	0.8
270.45248	1.0
281.24805	5.7
347.57690	1.0
363.25168	1.4
401.33972	1.2
441.68359	1.1
445.33246	3.7
459.51038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01851	0.2
51.10406	0.2
51.22824	0.1
53.84974	0.2
55.55298	0.2
55.58919	0.2
59.01376	1.4
71.01382	1.5
72.84622	0.2
75.72903	0.2
78.03483	0.4
78.51695	0.2
85.02944	0.2
87.00861	1.2
88.04056	0.3
89.02440	1.3
91.93810	0.2
94.91829	0.2
97.64685	0.2
101.02489	0.4
113.02410	0.8
118.76133	0.2
122.02467	100.0
136.04036	6.5
161.04570	0.3
164.03511	0.9
179.05548	0.2
187.12456	0.2
194.04558	0.2
227.09315	0.8
257.39618	0.2
280.32092	0.2
298.03488	0.2
323.09875	1.7
351.42581	0.2
446.12991	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	446.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10924	0.1
59.01371	3.3
61.41919	0.1
61.54565	0.1
71.01367	2.5
72.00900	6.8
74.00016	0.1
74.02463	9.7
75.00849	0.2
85.02905	0.2
89.02425	5.1
101.02412	1.8
103.00378	0.4
103.01491	0.3
104.03522	100.0
113.02398	1.4
119.03477	1.5
121.89630	0.1
131.03506	0.2
161.04594	0.2
179.05611	1.1
206.64233	0.1
212.05838	0.2
341.10852	15.3
428.02600	0.2
446.15137	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	446.179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04087	2.3
59.01369	0.4
81.04557	1.4
83.02490	3.1
88.98583	0.4
90.72195	0.3
92.05045	2.4
100.04019	0.4
102.05586	2.4
109.04073	4.0
123.94118	0.3
124.05128	0.6
126.06710	26.1
128.03513	15.3
135.05640	2.3
136.04001	1.7
138.06715	1.4
144.28537	0.3
146.04562	4.6
147.05614	6.1
148.04025	12.4
151.06302	0.4
152.13623	0.4
163.06189	1.7
173.07178	0.5
177.10324	4.4
187.05125	0.4
189.10329	7.7
203.08287	0.5
215.08258	2.0
221.09288	4.3
231.12410	1.7
233.09296	12.7
258.08710	0.6
274.12961	0.7
275.11478	29.4
297.85370	0.4
300.10934	2.1
317.13690	3.5
342.15701	0.7
360.16742	16.0
386.14709	2.1
387.12903	0.5
404.15747	31.1
429.15237	3.2
445.24048	0.3
446.17917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
59.01395	1.9
59.03934	0.3
61.75205	0.3
63.95612	0.3
65.63157	0.3
79.29917	0.3
80.96537	0.7
82.62668	0.3
96.96054	1.6
101.02409	0.5
112.51485	0.3
133.03008	0.5
151.00404	0.6
205.12315	0.4
208.75546	0.3
235.63615	0.4
256.03638	0.5
263.90402	0.3
284.03244	48.5
285.04034	100.0
297.04044	0.5
327.05032	0.8
382.54355	0.4
447.09271	78.3
447.16458	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	447.0932
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
58.10175	0.4
59.01391	4.4
71.01379	0.5
105.45202	0.5
121.02946	1.7
133.02968	2.5
135.04477	0.6
147.04526	0.6
149.02351	0.8
161.02396	0.4
175.04044	0.8
191.03572	0.7
193.01335	0.6
199.03896	0.5
201.01929	0.6
229.04909	0.5
257.04495	0.5
269.04483	1.0
271.05280	0.9
284.03186	3.6
285.03989	16.8
297.04031	24.8
298.04779	13.8
299.05606	34.2
311.05618	5.3
324.02780	0.9
325.03574	2.2
325.07175	0.6
327.05090	89.3
330.03687	1.0
339.05084	16.5
341.06680	2.5
357.06158	40.8
369.06152	3.3
429.08218	3.0
447.09308	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	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81504	0.8
59.01372	4.7
67.36864	1.0
71.01366	6.9
71.51833	1.1
73.02933	2.0
74.99078	1.0
79.86646	1.0
85.02952	1.5
92.18468	1.1
92.84929	1.2
99.00874	1.9
101.02438	2.3
108.02160	18.2
109.02950	12.7
113.02434	2.1
115.95295	1.0
118.98115	1.5
122.88574	1.0
130.08725	6.3
151.04048	1.4
152.01140	100.0
153.01865	2.2
161.04559	1.5
163.04037	1.5
165.65758	1.1
169.64558	1.2
190.71834	1.2
239.80185	1.2
447.11435	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	447.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85539	1.0
59.01381	100.0
68.26688	0.9
71.01389	1.5
79.92629	0.8
100.63225	1.0
105.01811	0.9
123.04510	2.3
125.02416	1.0
134.03635	0.9
139.07564	1.1
150.03256	1.1
151.03963	3.5
151.07588	1.3
151.98445	0.9
153.01913	7.4
153.09052	1.1
161.09706	11.4
164.08406	1.9
165.05559	6.2
165.82707	0.9
168.04263	17.9
179.10776	9.5
182.82137	0.9
183.06631	14.1
223.09784	23.4
246.32828	1.0
297.04031	1.5
327.05145	6.3
330.46320	1.0
357.06195	2.1
447.09216	6.2
447.16733	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.13218	0.3
69.89983	0.3
71.01381	3.5
73.02935	0.6
85.02964	2.0
89.02459	1.7
92.18336	0.6
99.00958	0.4
101.02444	2.3
112.08035	0.3
113.02429	2.4
123.08151	1.7
137.09685	0.6
143.03511	0.4
161.04564	4.3
163.11299	2.1
165.05527	0.6
168.04213	0.4
179.05592	1.6
189.12805	5.1
207.13879	6.3
223.06146	0.4
225.14993	2.1
387.20316	11.5
410.22836	0.3
431.19153	0.7
447.12909	0.8
447.16901	0.5
447.22412	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	447.2516
Annotation	Mappain
Peak:m/z	Relative Intensity
53.31735	0.5
59.01371	1.0
67.71117	0.6
78.95901	6.0
80.31776	0.5
91.69889	0.6
110.98521	6.9
134.09705	0.7
163.01120	0.6
167.01105	7.1
185.02219	2.5
279.23297	100.0
343.46082	0.7
385.31073	1.5
403.31995	0.8
447.25284	39.4
447.31171	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	447.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78497	1.4
59.01380	43.7
61.98823	2.4
69.94575	1.9
71.01379	9.1
75.00862	1.8
78.95921	1.7
85.02965	14.1
89.02442	7.2
110.98528	3.1
113.02420	13.3
121.03804	1.7
129.51093	1.8
131.03488	3.8
145.22105	2.3
167.01183	4.0
248.22354	2.1
255.23294	57.9
269.24857	43.0
279.23288	100.0
297.24313	21.7
313.23767	14.3
387.27448	2.1
403.32071	8.8
447.25143	38.6
447.31039	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	447.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09256	0.5
59.01374	66.0
60.01673	0.6
60.76152	0.4
68.64468	0.4
71.69617	0.6
86.49888	0.5
89.02416	1.1
90.55707	0.5
91.03989	14.4
93.82394	0.5
103.20734	0.5
125.09667	0.7
150.32039	0.6
154.79756	0.6
165.09180	0.7
171.02281	0.5
171.10260	3.7
192.60896	0.5
199.20668	0.6
201.11302	38.3
269.24854	0.5
277.21631	4.0
295.22787	8.5
313.23825	100.0
326.08856	0.6
359.65930	0.6
387.27518	19.8
447.26831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3484
Annotation	Numersterol A
Peak:m/z	Relative Intensity
50.77420	1.2
52.57823	1.2
57.30125	1.1
59.34723	1.3
60.39921	1.4
67.59741	1.3
73.15475	1.4
88.11015	1.4
107.05022	7.2
109.06567	12.0
139.89610	1.6
174.33464	1.5
279.23291	32.3
355.30063	17.3
373.31171	5.8
385.34879	29.5
393.31366	2.3
395.29575	2.6
400.17722	1.7
411.32727	36.9
429.33798	22.0
431.00058	1.6
447.25867	13.1
447.34888	100.0
461.35547	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	447.3483
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
52.19744	1.2
56.40100	0.9
78.95860	1.1
79.27217	0.9
79.58935	1.2
87.12136	1.0
93.30424	1.0
110.98463	1.6
132.94884	1.0
167.01144	2.7
240.99452	1.1
279.23291	28.2
354.91916	1.1
366.80759	1.1
385.34894	1.9
398.54160	1.2
429.34103	4.0
447.25589	14.3
447.34781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1439
Annotation	Auriculoside
Peak:m/z	Relative Intensity
55.31651	1.4
55.91446	1.3
71.01369	1.9
71.20523	1.1
72.29858	1.2
89.02463	1.5
94.45470	1.5
101.02473	1.7
105.01921	2.0
106.98103	6.9
107.05182	1.6
161.04564	2.0
241.05490	2.6
245.91682	1.7
376.31577	1.4
413.16714	14.4
449.14453	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	449.1459
Annotation	Auriculoside
Peak:m/z	Relative Intensity
53.83523	1.8
54.50586	1.7
57.03428	1.8
59.01385	3.5
78.72062	1.9
92.23731	2.5
95.01421	3.0
95.82660	2.3
111.00910	2.7
115.63104	3.1
123.00877	4.6
137.02438	10.0
138.03204	24.9
139.00398	21.6
141.21420	2.5
153.01935	3.4
153.05531	12.4
166.02693	4.5
176.04767	3.0
179.03514	3.4
190.02727	2.4
191.03485	5.4
195.06618	2.2
201.02086	2.3
204.04398	2.7
205.05029	17.3
227.14732	2.5
232.03780	5.5
233.04477	11.0
247.06157	5.4
271.05847	3.5
277.07492	2.6
327.08990	3.3
354.06583	2.6
355.08264	9.9
371.07748	15.3
385.09387	4.4
386.10086	14.4
389.12332	3.8
401.12466	38.0
413.12360	4.0
419.13565	12.5
431.13474	28.0
449.14584	100.0
449.24109	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	449.2673
Annotation	Wilforol B
Peak:m/z	Relative Intensity
57.97793	0.6
61.77755	0.6
65.72881	0.5
70.45010	0.5
73.58495	0.6
78.95911	2.7
90.92761	0.7
99.04527	1.3
110.98517	5.3
127.69042	0.6
137.06126	1.1
139.04063	0.7
167.01199	4.3
171.47562	0.8
185.02272	1.4
255.23369	3.8
281.24863	100.0
296.40198	0.7
322.04477	0.7
348.06958	0.8
349.27524	1.5
398.20682	0.7
404.55133	0.7
449.26892	32.8
449.32794	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	449.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59904	0.5
51.28898	0.6
59.01381	11.6
61.28566	0.6
78.95913	2.1
110.98518	3.2
152.99577	2.9
167.01125	2.6
185.02179	1.4
190.12810	0.6
193.16772	0.6
224.94150	0.6
255.23297	100.0
279.23132	0.9
281.24860	75.6
389.29160	1.0
449.26791	35.7
449.32376	1.8
464.95358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1255
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
56.72252	1.1
58.12660	1.0
59.01383	4.8
59.10069	1.1
62.05159	1.2
87.00869	14.2
88.04069	1.9
89.02447	2.0
90.95392	1.1
95.01397	1.5
95.64177	1.3
99.92550	1.8
100.93373	2.4
101.02453	1.2
101.06046	2.7
108.02151	5.7
113.02436	2.2
115.00394	1.2
115.92056	3.0
116.92849	28.7
121.02908	2.1
123.04523	14.2
126.72094	1.1
129.45340	1.2
147.43384	1.7
149.02466	2.4
150.03221	17.2
151.03957	2.2
152.01180	22.6
153.01907	1.3
164.04784	2.9
165.05577	79.9
167.03500	68.3
170.93892	2.0
173.07269	1.3
173.94624	1.1
180.04262	3.0
181.49515	1.2
184.43831	1.3
195.06631	22.0
246.60051	1.4
249.06049	1.3
256.07416	11.4
271.09741	5.4
295.99393	1.2
300.06473	1.9
315.08847	13.8
363.10880	13.2
430.65906	1.4
451.05597	16.1
451.12482	100.0
451.18146	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1237
Annotation	6-C-Glucopyranosylepicatechin
Peak:m/z	Relative Intensity
50.30838	0.9
52.38596	0.9
58.91637	1.0
59.01369	5.3
62.05112	1.1
62.59922	1.0
71.01362	4.5
78.19904	1.2
87.00845	11.3
88.04041	5.7
101.02386	1.6
108.02153	2.3
109.02942	1.3
115.00365	2.8
123.04521	8.4
127.18437	1.0
132.03041	11.4
150.03200	12.8
152.01170	14.3
162.01913	2.8
164.04707	1.7
165.05544	61.0
167.03485	62.5
173.07191	14.7
177.99684	4.3
178.86305	1.2
180.04214	5.1
195.06642	16.9
248.30539	1.1
249.13823	1.1
256.07361	6.6
271.09702	4.2
315.08817	10.9
363.10886	7.7
379.67877	1.4
404.31503	1.2
451.12622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
71.01373	12.1
73.02931	1.7
82.61560	0.4
83.01360	0.7
85.02952	1.3
88.04028	33.6
89.11960	0.3
101.02424	6.9
112.30243	0.3
113.02436	1.3
114.01944	1.7
115.00356	11.9
130.06593	3.2
132.03015	42.7
156.04526	4.7
162.02017	0.6
172.07643	0.5
173.07184	66.7
181.38651	0.3
200.07120	0.7
201.10309	0.7
243.07698	1.6
245.09299	2.0
260.12781	0.3
292.11847	4.2
311.18240	0.4
314.78122	0.3
335.12555	5.5
336.10788	3.5
407.14551	1.8
433.12469	3.9
451.13580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.3
69.64380	1.6
73.02957	1.7
74.88073	1.7
74.99086	100.0
88.90275	1.7
91.01087	2.0
136.99129	84.8
145.34879	1.9
178.11478	2.2
180.04282	7.6
195.06670	2.9
225.07663	4.4
331.19055	2.6
451.17841	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	451.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54093	1.2
59.01385	2.6
72.12398	1.5
74.99090	100.0
100.29398	1.6
120.99635	2.1
136.21413	1.6
136.99139	88.3
241.84010	1.6
243.79958	1.8
451.18381	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55986	1.4
56.07542	1.3
57.03452	2.4
59.01379	20.6
71.01379	12.6
71.51540	1.6
72.97528	11.5
72.98933	1.5
80.42912	1.2
83.01375	1.7
85.02928	1.8
89.02432	10.5
99.08133	3.2
101.02428	12.6
113.02440	6.1
119.03427	5.2
127.07591	2.1
145.08679	53.9
187.09726	2.3
188.39693	1.7
208.94817	1.6
228.90460	1.6
289.12967	2.0
307.13971	100.0
349.14975	18.6
451.18610	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	451.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22181	0.3
59.01382	0.5
79.33232	0.3
80.31021	0.4
95.05025	0.7
101.16319	0.4
112.07673	12.5
113.06070	2.6
129.10339	7.1
129.14726	0.5
130.08725	14.9
137.07213	0.5
139.32559	0.4
155.99384	0.4
160.85393	0.4
197.16571	0.5
207.15021	8.2
224.17694	9.2
225.16075	18.0
242.18729	2.2
320.23563	4.1
337.26096	9.8
338.24576	0.7
433.31873	15.4
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	451.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
69.03405	1.3
71.05012	2.6
77.37853	1.5
83.05019	63.3
99.04479	1.7
110.42733	1.8
111.08141	12.5
121.06580	44.2
125.02433	16.3
126.03225	25.7
127.03989	47.1
139.07643	89.1
165.05595	2.9
202.06035	2.0
267.26981	1.7
281.28400	8.4
283.26215	1.7
323.29510	8.3
341.30518	27.6
389.34473	2.6
407.35291	100.0
433.33521	2.2
451.34384	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	452.2775
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
75.07885	0.5
78.95888	3.0
85.27661	0.7
88.37528	0.5
92.19098	0.6
110.98515	0.7
140.01172	0.8
214.04930	0.8
220.47581	0.6
228.20515	1.2
255.23277	100.0
274.45313	0.6
279.18051	0.6
279.56519	0.6
281.24805	6.2
282.22000	0.7
282.25177	28.4
283.25500	13.8
284.25772	28.5
415.91965	0.6
452.27740	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	453.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29086	0.2
59.01392	0.3
67.05589	0.2
78.95898	59.4
87.53693	0.3
89.02451	0.3
97.43963	0.3
99.27845	0.3
110.89898	2.4
110.98515	100.0
119.30226	0.3
161.56436	0.3
190.93529	0.3
249.28026	0.3
341.10706	0.5
453.03967	0.6
453.10098	13.1
479.97952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45805	0.2
60.97530	0.3
63.84363	0.2
72.97531	0.3
73.98302	1.1
74.99083	100.0
81.07282	0.3
116.34282	0.3
120.99591	0.9
136.99124	96.7
148.88573	0.3
188.58290	0.2
211.75082	0.3
453.19553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58237	1.8
55.01220	1.8
56.75433	1.7
65.73564	2.1
66.56541	2.0
71.05018	100.0
89.65864	1.9
99.04520	13.6
109.06577	4.6
143.03491	36.9
264.22504	2.5
409.31058	4.5
453.30688	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	454.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25676	0.5
56.52853	0.6
59.01380	100.0
74.08515	0.7
125.27354	0.7
153.20197	0.7
165.38322	0.8
173.85899	0.9
217.28825	0.8
279.23315	1.4
280.23669	5.9
281.24875	8.9
320.25891	1.8
366.34329	0.9
406.91568	0.8
454.19650	9.5
473.11270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	39.7
75.00833	8.3
85.02953	7.3
87.00850	5.2
101.06062	21.1
103.95951	6.1
113.02434	12.8
114.71351	6.4
121.02912	56.7
138.45502	5.7
155.08553	4.9
234.43394	6.3
279.98734	5.7
281.49203	8.2
455.15533	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	455.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33878	0.5
52.67699	0.5
57.03448	2.9
59.01374	5.7
66.50737	0.6
70.64758	0.6
73.98319	0.9
74.99088	93.8
75.67966	0.5
89.02455	0.7
99.04507	3.3
101.63873	0.5
116.92912	0.7
119.04984	0.7
120.99658	1.1
125.02390	0.9
136.99130	100.0
150.09215	0.6
163.03960	1.0
180.36279	0.6
229.02707	0.7
247.34714	0.6
304.36185	0.8
367.09470	0.7
455.10574	3.7
455.22821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.6
61.67345	0.3
66.85257	0.3
70.95097	0.3
73.98314	1.4
74.99097	100.0
76.98676	2.3
77.63739	0.4
81.24031	0.3
82.42300	0.3
87.00867	0.5
87.85810	0.4
127.05188	0.4
133.67584	0.4
136.99150	92.8
138.98692	0.7
148.44453	0.4
334.08984	0.4
408.57690	0.5
455.21317	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	455.3164
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
50.55008	2.3
51.31034	2.0
53.21003	2.9
55.45624	2.5
61.98844	5.0
70.19566	2.6
73.89374	2.3
77.65961	2.5
107.05013	5.5
109.06570	94.5
109.07324	3.1
109.91662	2.5
183.78687	3.0
234.65691	3.0
301.25354	35.1
353.28238	9.6
355.62244	3.3
367.81525	3.0
393.31461	3.5
409.31104	5.9
411.32779	4.5
455.31473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.317
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
59.01385	3.4
61.47633	0.4
67.65636	0.4
68.49737	0.4
69.03455	2.8
71.04974	0.4
71.28136	0.4
84.66387	0.4
84.79028	0.3
84.80562	0.4
85.23028	0.4
88.59475	0.4
90.92963	0.4
91.42371	0.4
99.01996	1.0
100.93354	5.3
107.05048	0.5
109.06590	26.4
115.92062	11.4
116.92842	0.9
137.06079	0.8
172.95628	0.5
277.42404	0.4
279.23438	0.4
281.24890	0.8
307.85968	0.5
323.27539	2.8
339.26953	2.7
342.18506	0.5
353.28540	16.5
355.30133	21.7
367.30148	3.4
377.28442	4.4
383.29010	6.0
383.34021	3.8
393.27881	2.0
393.31683	2.4
395.29572	49.7
409.31155	6.3
411.32724	67.4
455.21008	6.8
455.31720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.0
71.05025	0.7
71.16357	0.7
71.75583	0.8
85.02944	100.0
87.04507	33.0
89.30690	0.7
107.05068	0.8
109.06609	1.3
131.03488	40.3
132.39864	0.7
133.01309	0.7
133.50623	0.8
154.94722	0.9
155.10808	8.5
199.09801	1.1
208.49632	0.7
217.10823	3.3
224.98907	0.9
255.23346	4.5
281.24887	10.5
411.32394	1.2
455.21149	10.4
455.34390	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	456.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84601	0.3
59.01392	2.3
59.01622	0.3
73.96388	0.3
74.11328	0.3
78.03478	0.4
83.84407	0.3
85.85833	0.3
91.01815	0.4
97.37630	0.3
97.59578	0.4
101.02467	0.4
104.77336	0.3
106.02975	3.2
108.73512	0.3
134.02483	15.6
149.25882	0.3
160.04059	2.2
162.01959	100.0
456.15207	6.6
463.85049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86219	3.5
57.34563	3.2
59.01383	100.0
61.23789	3.2
63.59105	3.7
69.02942	3.1
77.89290	3.4
83.91341	3.5
91.80345	3.6
102.00957	40.3
178.51692	4.6
251.66188	3.9
279.23093	8.2
304.23004	9.5
307.09891	4.4
322.23834	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64279	0.3
59.01367	1.9
67.37685	0.3
71.01369	36.4
79.63380	0.3
82.45860	0.3
85.69609	0.3
89.02406	3.2
101.02419	1.8
104.42397	0.3
113.02424	1.5
115.00346	100.0
119.03484	0.7
119.91653	0.3
121.95029	0.3
144.20938	0.3
162.34108	0.3
205.83644	0.4
328.10422	0.4
341.10843	7.3
342.11478	0.5
356.56143	0.3
384.18137	0.3
450.00815	0.3
457.11960	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	457.2966
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
54.94685	3.9
59.01386	6.1
67.74715	5.1
69.18813	4.3
79.40301	4.0
95.05018	6.6
97.06561	5.3
102.69828	5.0
116.92820	8.9
124.46928	5.1
146.92033	4.5
148.43843	4.4
217.00298	7.4
267.26956	6.8
369.31549	83.3
374.99414	5.3
413.30621	23.8
457.29129	100.0
457.35422	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	457.2962
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
51.20245	0.8
58.74378	0.7
69.03448	3.8
92.18439	1.4
101.46790	0.9
106.88242	0.8
109.06584	64.3
127.70303	0.9
227.18600	1.0
268.42853	1.2
279.02582	1.0
301.25278	4.2
339.26727	1.2
341.28534	40.3
369.31717	16.0
395.29681	11.0
413.30588	34.5
457.29507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.69289	0.6
60.91520	0.7
60.99308	0.8
86.11362	1.2
89.02439	0.8
93.17815	0.9
95.05023	1.2
107.05024	6.4
109.06586	85.6
113.06105	1.7
125.09719	1.0
128.71471	0.7
149.06166	1.3
159.55724	0.8
169.08748	3.9
196.34195	0.8
276.68021	0.9
287.23892	1.5
303.26990	29.8
310.35757	1.0
312.21066	1.0
355.30200	4.9
369.31558	8.3
395.33105	6.5
411.32690	8.8
413.30078	7.6
439.31985	1.2
457.33490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3325
Annotation	Platanic acid
Peak:m/z	Relative Intensity
50.41328	9.9
55.99586	9.1
59.01384	11.3
77.92578	10.0
82.07109	9.4
90.78962	10.1
109.06587	41.8
116.92863	18.1
127.49287	11.4
180.05077	11.0
203.51463	11.3
226.28978	10.9
226.68860	10.1
264.11380	11.0
290.30228	11.3
362.83862	12.4
397.31064	44.3
413.34070	57.9
457.33047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3325
Annotation	Platanic acid
Peak:m/z	Relative Intensity
51.51083	0.6
68.47844	0.6
74.42017	0.5
96.45609	0.6
107.05021	6.5
109.06577	100.0
111.11781	0.7
113.36771	0.8
114.85050	0.7
136.39384	0.7
138.63860	0.7
248.60501	0.8
303.26929	28.4
355.30112	0.8
357.31656	2.8
383.33157	1.2
385.31183	4.0
395.33243	4.5
413.34372	13.8
431.35492	6.6
457.33334	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	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38011	0.2
60.44022	0.2
73.02934	24.0
75.00854	0.3
75.10939	0.2
92.18397	0.5
92.67141	0.2
99.00863	4.1
99.92583	0.3
115.94459	0.2
116.92837	21.2
117.01917	100.0
151.94899	0.2
236.28445	0.2
297.88956	0.2
342.82797	0.2
459.14139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73375	0.3
58.23170	0.3
59.01385	4.3
66.80482	0.3
71.01379	4.0
73.02927	0.5
82.37929	0.4
85.02953	0.6
89.02448	3.7
101.02458	4.2
113.02449	2.3
116.92916	0.4
117.03420	1.5
119.03501	1.6
121.05042	2.5
123.04666	0.4
132.02162	1.9
133.02946	0.4
134.03735	20.3
144.09888	0.4
149.06100	3.8
152.92735	0.3
160.01653	36.5
161.02382	0.4
163.03932	0.4
175.04004	90.8
178.02705	1.5
179.03525	0.4
191.07146	0.9
193.05063	28.2
207.06612	0.6
235.06108	3.4
288.06683	0.4
358.25403	0.4
459.15134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2911
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
54.07669	0.4
58.84528	0.5
59.55701	0.5
59.78410	0.5
60.03773	0.5
62.33363	0.4
71.01362	0.5
75.21702	0.4
107.05022	18.7
163.11282	87.5
163.30064	0.5
243.05438	0.6
255.23360	1.0
263.45255	0.6
283.17053	45.5
295.17056	23.5
305.24731	0.6
343.30048	1.1
345.17435	0.6
359.15439	0.6
377.30460	0.7
415.36267	0.7
426.83829	0.6
441.33890	1.1
459.29086	100.0
459.34607	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	459.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36034	1.9
53.13488	1.6
54.61485	1.6
57.03444	2.4
59.01380	47.1
69.03453	3.0
71.01382	35.4
79.95730	3.9
82.08803	1.6
83.05029	7.4
85.02947	17.7
89.02441	44.8
101.02441	11.0
105.59345	1.8
109.06566	12.9
111.88908	1.9
113.02437	7.0
119.03468	4.5
125.06139	2.7
143.03458	2.3
149.04527	2.6
161.04539	3.5
179.03851	29.7
179.05632	18.6
187.40344	1.7
199.20628	2.0
246.92015	2.2
279.23352	32.6
281.54727	2.1
289.25537	3.1
327.26947	3.0
329.28467	10.6
343.30054	15.8
369.31763	12.5
371.33228	12.9
379.29605	2.1
387.32639	2.5
397.30469	13.1
397.35355	7.7
415.32062	38.8
441.33749	4.5
459.30350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3115
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
50.53020	0.4
52.74275	0.3
53.59605	0.4
59.01378	4.9
61.98841	0.4
83.05075	0.7
122.03778	0.6
145.14206	0.4
193.40833	0.5
272.54727	0.5
287.23792	0.8
303.32202	0.4
307.19345	0.7
331.22791	0.7
355.29968	5.9
397.31091	54.1
415.32169	91.4
459.31128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3119
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
57.03425	2.9
58.81464	0.6
58.88244	0.7
59.01381	5.3
59.94842	0.6
69.03420	1.7
71.01387	6.0
78.87531	0.7
83.05025	6.5
85.02946	23.1
89.02461	5.0
95.04980	1.0
109.06544	1.4
113.06033	4.1
125.06085	5.2
125.09669	1.4
136.64063	0.7
149.56030	0.8
169.08667	1.6
174.67326	0.7
179.05609	1.3
279.23071	4.0
289.25412	6.9
291.26843	1.6
327.26950	5.4
329.28555	14.1
341.28348	4.9
343.30142	9.9
353.28027	2.7
355.29950	1.1
359.29102	1.1
359.33038	3.0
367.30194	0.8
369.31693	18.0
371.33316	5.6
387.32443	3.2
397.30972	12.4
415.32208	37.8
459.30780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3115
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
56.57119	0.9
57.10176	1.0
69.03442	4.3
84.19569	1.0
92.33577	1.0
100.48141	1.1
109.06566	56.4
179.38033	1.1
225.97810	1.2
303.26895	2.5
343.29996	36.7
371.33087	19.9
397.31122	15.8
415.32129	41.0
459.31088	100.0
469.41638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3123
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
59.01373	1.5
64.57108	1.1
105.39104	1.1
105.55947	1.1
190.38522	1.3
192.08685	1.2
198.71321	1.0
293.64920	1.3
325.24625	1.2
341.28076	1.5
343.30072	100.0
356.97540	1.2
371.32922	2.5
397.30960	6.1
415.32208	28.8
459.31030	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3483
Annotation	Topsentisterol C2
Peak:m/z	Relative Intensity
53.97480	1.2
54.51088	1.1
56.92173	1.2
57.03447	7.2
59.01377	1.4
60.99295	2.6
69.03431	1.8
83.05005	1.7
85.02932	18.4
96.19672	1.5
96.55591	1.5
107.05016	1.9
109.06589	2.1
113.06089	14.2
125.06068	3.0
125.09721	13.5
129.34843	1.4
134.83696	1.8
169.08720	24.6
193.35646	1.6
193.78374	1.5
289.25427	14.9
291.27023	10.0
317.66791	1.7
327.26981	2.6
329.28583	13.2
341.28604	3.0
343.30051	9.0
349.77124	1.6
353.28616	1.8
359.33148	2.2
369.31671	13.8
371.33426	1.7
379.06949	1.7
387.32834	2.1
390.72571	1.6
397.30765	4.5
415.32123	26.2
452.73907	1.7
459.30362	40.2
459.34909	100.0
472.44534	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	459.3477
Annotation	Hyrtiosterol
Peak:m/z	Relative Intensity
60.99313	1.0
83.62015	0.6
83.64185	0.6
171.28229	0.7
173.30780	0.8
295.26132	0.8
337.58185	0.7
343.30203	1.2
356.70145	0.7
397.34799	4.8
441.33661	6.6
459.34836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00634	0.2
54.51266	0.2
55.06377	0.2
56.86070	0.2
59.01379	3.5
64.86533	0.2
65.20082	0.2
71.01366	2.8
72.00895	12.1
73.99149	0.3
74.02457	15.3
76.39376	0.2
86.02466	0.5
88.04015	0.4
89.02432	5.2
101.02439	2.0
107.91749	0.2
113.02435	1.4
118.05083	100.0
119.03484	1.5
143.03601	0.3
179.05595	0.5
287.93585	0.3
320.47842	0.3
341.10843	18.4
460.16656	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	461.0729
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
52.63041	0.4
57.76291	0.4
76.43376	0.5
78.45885	0.4
83.01326	0.5
92.18481	1.0
107.01424	0.7
150.03195	0.5
151.00333	2.7
161.02283	0.8
178.99802	1.0
186.03239	1.1
193.05046	0.9
198.03345	0.6
213.27711	0.6
214.02798	7.5
227.03522	0.8
241.01442	8.9
242.02205	34.5
243.03078	0.8
245.00911	10.9
270.01703	83.1
271.02502	33.1
273.00369	0.7
282.01706	0.7
283.02502	1.0
297.03641	0.6
297.98013	1.0
298.01193	19.0
299.01978	28.7
310.95837	0.6
344.05719	0.6
383.61151	0.6
429.19730	0.8
433.07806	2.4
434.06104	0.6
461.07285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
50.79148	0.3
59.01371	0.5
86.45847	0.3
87.00871	0.8
95.66526	0.3
104.91287	0.3
115.38657	0.3
116.08874	0.3
129.95636	0.4
137.02409	0.4
142.06474	0.4
149.61183	0.4
255.02982	20.0
255.05679	0.6
268.03818	0.5
269.04562	3.1
283.02481	77.6
284.03290	9.3
285.04068	2.0
297.04074	9.5
298.04822	22.4
299.05554	7.7
313.03580	6.3
327.04892	0.6
446.08563	28.5
461.10919	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	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34436	0.4
57.48938	0.4
59.01373	0.6
71.01358	0.6
92.18431	0.5
95.62960	0.4
126.97289	0.4
133.03009	0.6
163.16055	0.4
198.59206	0.5
210.42163	0.5
222.02864	0.4
228.55956	0.5
270.01578	2.3
271.02509	0.5
284.03192	1.8
285.04156	0.8
297.04053	7.3
298.04819	100.0
299.05545	3.8
309.04080	2.4
310.04800	2.2
311.05630	3.0
312.06403	1.8
313.03732	1.0
313.07144	10.6
323.05594	0.7
324.02859	0.5
325.03314	2.1
325.07294	1.8
326.04294	2.2
330.03809	1.1
338.04581	0.7
341.06653	78.2
344.05200	0.9
353.06656	10.0
356.05411	2.4
369.06168	0.6
371.07693	21.0
383.07727	0.9
385.09225	0.5
461.10944	99.1
468.35867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73661	0.6
69.09592	0.5
75.20245	0.6
84.92009	0.5
85.02924	0.5
101.94514	0.7
116.92832	2.6
118.51452	0.6
134.03740	0.9
139.07642	0.6
145.06593	11.9
147.04555	1.3
149.02422	1.3
162.06841	1.5
163.07649	2.4
177.69139	0.6
178.40089	0.6
193.05009	0.8
207.02536	0.8
219.13971	0.8
240.04428	0.7
255.06766	0.9
256.03635	1.1
263.12848	2.5
283.02524	1.1
284.03302	41.5
285.04102	2.3
298.04837	0.9
299.05667	100.0
299.12881	16.0
341.06738	1.0
461.10867	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Tricin 7-xyloside
Peak:m/z	Relative Intensity
50.68032	0.6
52.02687	0.4
58.38997	0.4
59.01391	0.6
66.69210	0.4
69.25580	0.4
69.57880	0.5
70.60817	0.4
73.79828	0.4
90.26595	0.5
109.02928	0.9
120.25596	0.5
137.02417	1.2
167.03394	0.6
215.04198	0.6
284.03250	0.9
285.04019	2.1
297.04077	3.9
298.04810	19.1
298.07849	0.7
311.05408	1.3
313.03540	40.6
326.04346	2.8
327.04941	1.2
341.06662	17.8
450.10468	0.6
461.10886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1305
Annotation	Sibiricose A3
Peak:m/z	Relative Intensity
51.36842	0.2
52.36167	0.2
57.40326	0.2
59.01165	0.2
59.01390	2.6
71.01380	2.3
73.02951	0.5
75.03137	0.2
85.02943	0.4
87.79701	0.3
89.02432	2.4
93.03453	18.5
97.02917	0.2
101.02442	1.5
113.02438	1.1
116.92843	0.5
118.92655	0.3
119.03484	1.1
133.17436	0.2
137.02444	100.0
152.01140	0.3
167.03537	0.5
214.55022	0.2
218.42438	0.2
280.17288	0.3
314.01056	0.2
323.09756	0.3
461.13055	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1687
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
59.01380	99.4
64.26292	3.0
70.03261	4.5
71.01369	47.4
73.02946	21.4
76.22134	3.3
81.03446	3.7
82.83195	3.5
83.01380	4.7
85.02939	17.3
88.98795	16.2
89.02414	24.9
93.03431	28.2
97.02939	5.1
101.02411	34.9
103.04009	23.2
113.02416	5.9
119.03509	6.9
125.02437	30.0
133.02953	4.2
137.02460	14.8
163.06143	26.6
210.50281	3.4
221.34599	3.5
288.37915	3.5
307.10345	100.0
401.14539	16.3
461.15747	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	461.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59797	1.0
56.70960	0.9
59.01384	26.6
66.94319	1.1
76.58407	1.0
77.54704	0.9
77.63889	0.9
78.63121	1.0
84.02177	10.3
93.17777	1.2
127.11313	6.8
137.09724	37.8
155.10780	100.0
164.42287	1.3
171.10275	64.9
197.11864	2.0
201.11349	2.1
209.11868	5.5
237.47861	1.2
245.13945	15.2
291.19336	1.4
308.87457	1.4
309.20807	2.0
327.21890	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	461.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.51939	0.9
84.66991	0.9
91.04002	21.8
125.09719	1.1
141.08264	1.0
152.99527	1.7
171.10298	5.6
183.10265	1.6
183.22987	1.2
185.11824	5.2
197.11868	2.1
201.11339	1.9
279.23392	2.1
327.21783	44.9
401.25467	2.5
461.30118	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	461.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96605	0.7
53.19350	0.9
57.03446	1.0
58.18134	0.8
59.01379	48.0
60.59773	0.7
70.52139	0.7
71.01385	0.9
76.51910	0.8
84.72190	0.7
85.02942	15.8
91.04000	13.1
97.02953	1.7
116.76109	0.8
119.89021	0.7
126.11805	0.8
137.09756	5.7
144.18352	0.8
161.63895	0.8
171.10265	46.0
183.13837	2.0
201.11380	1.9
211.13472	1.6
229.14459	1.0
276.01126	1.0
291.19540	1.9
309.20688	11.0
327.21774	100.0
401.25439	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	461.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
78.95894	2.4
83.21840	1.5
86.07957	1.5
149.33118	1.7
152.99574	7.3
255.23323	52.0
279.23444	2.2
389.44687	1.9
399.32657	6.2
417.33743	6.9
443.35080	2.1
461.32605	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	461.3633
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
54.09310	0.6
57.03441	1.0
58.62457	0.7
59.01376	14.0
60.99298	2.9
71.01377	7.0
71.05035	0.7
72.99299	1.0
83.05013	4.3
87.94651	0.7
89.02431	11.2
101.02431	3.7
109.02934	0.9
109.06563	3.6
111.17300	0.7
113.02436	1.6
119.03458	2.8
124.98370	0.7
145.71088	0.7
147.81520	0.8
179.05579	6.6
224.53947	0.7
240.08446	0.7
281.24817	11.8
282.44357	0.8
303.26834	1.0
320.58578	0.7
343.29904	9.6
345.31668	13.6
357.31619	1.2
381.31509	4.2
399.32486	6.1
399.37009	11.8
405.33844	1.7
417.33679	2.8
425.34317	7.7
443.35339	63.9
461.36981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3644
Annotation	Stigmast-5-ene 3beta,4beta,7alpha,22alpha-tetraol
Peak:m/z	Relative Intensity
56.61629	0.1
58.11534	0.2
60.99310	0.7
68.82998	0.2
83.05008	0.2
88.75611	0.2
93.51830	0.2
105.07092	3.6
107.05015	0.2
145.88390	0.2
149.06061	1.9
151.04001	1.0
233.36546	0.2
340.45392	0.2
343.30411	0.2
345.31738	1.1
399.36377	4.1
417.33905	0.3
425.34589	0.2
443.35294	4.9
461.36569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47041	1.0
55.01860	1.0
59.01381	14.6
65.63200	1.0
71.01360	10.1
73.02935	4.0
83.01375	2.3
85.02940	6.7
87.00804	1.4
89.02401	6.0
99.00830	1.3
101.02421	21.0
113.02411	7.3
119.03439	1.1
129.17426	0.9
133.30727	1.0
135.72438	0.9
135.94788	1.0
138.05592	100.0
151.14937	1.1
161.04518	5.9
221.06696	1.6
245.06381	1.2
256.92041	1.1
263.07626	1.1
300.10797	18.2
323.09949	2.4
462.16122	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	462.1914
Annotation	4-hydroxy Nonenal Glutathione
Peak:m/z	Relative Intensity
58.02976	2.5
61.98811	2.7
62.24374	1.6
66.03502	1.8
74.02450	13.8
81.00454	1.7
85.28157	1.5
86.02451	2.8
87.47549	1.5
99.05628	11.8
128.03520	41.8
135.05659	2.9
143.04596	68.7
146.04570	7.1
153.06667	3.0
157.67186	1.8
160.00706	14.5
166.09814	1.8
167.04491	2.3
167.08217	2.4
171.08447	2.4
177.03339	3.1
179.04570	11.5
181.06207	2.2
185.05589	2.2
206.04758	2.1
210.08829	8.6
254.07753	4.0
272.08823	13.4
288.06708	3.1
298.04593	6.8
299.05023	14.1
306.07629	100.0
341.06351	2.1
342.06845	11.1
354.06882	2.3
372.07715	2.2
431.32898	1.8
462.11127	15.4
462.19788	15.9
462.26230	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	463.0892
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
50.53114	0.2
51.99370	0.2
53.22689	0.3
56.37789	0.3
57.91313	0.2
59.01385	0.4
71.01390	0.2
74.02493	0.5
74.99100	0.5
90.39462	0.3
92.10035	0.3
101.02435	0.3
107.01398	0.6
120.06879	0.3
121.02965	1.1
125.02388	0.4
128.03583	1.3
132.86598	0.3
136.99110	0.4
137.02444	0.5
139.00356	0.3
143.04620	2.4
144.05020	0.5
149.02544	0.4
150.03259	0.6
151.00369	7.9
151.01517	0.4
163.00417	1.5
165.05597	1.4
178.99846	5.4
189.67815	0.3
195.06595	0.6
226.02870	0.5
227.03546	0.3
229.05072	0.5
243.02948	2.6
245.04700	0.5
254.02147	1.6
255.03011	11.0
260.46777	0.3
267.08771	1.2
270.01938	0.4
271.02490	23.4
272.02881	2.3
273.03983	1.2
283.02484	0.4
292.36731	0.4
297.03952	0.3
297.77753	0.3
299.01974	0.4
300.02762	100.0
301.03558	28.1
301.06378	0.3
306.07632	2.8
307.07974	3.1
317.18909	0.3
342.11755	0.3
399.33453	0.3
463.08835	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	463.1034
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
59.01376	1.8
60.81474	0.4
73.45405	0.5
82.99374	0.4
133.02942	2.0
151.00323	1.9
156.85269	0.5
166.30528	0.4
217.00296	6.3
217.05017	0.5
255.02962	77.3
256.03754	26.6
277.82590	0.5
283.02460	88.0
284.03238	100.0
285.04019	75.3
316.77597	0.5
329.23352	0.9
344.87189	0.5
373.87955	0.6
424.71783	0.6
433.09296	1.8
445.09363	3.0
463.10364	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
59.01382	4.3
60.96003	0.1
65.16282	0.1
71.01385	3.0
73.02944	0.8
78.55145	0.1
78.95887	0.3
83.01379	0.2
85.02935	0.8
87.00874	0.5
89.02438	4.8
91.03984	0.2
95.01340	0.2
101.01812	0.3
101.02440	6.3
110.71272	0.1
110.98520	0.7
113.02444	2.7
113.85757	0.1
119.03478	1.4
121.07355	0.1
140.81891	0.1
143.03481	0.5
157.97733	0.1
161.04521	1.5
167.01170	0.7
179.05592	0.3
183.10300	0.2
183.13861	0.3
227.20175	100.0
235.08240	2.0
253.09288	12.7
277.21640	0.9
295.22778	3.6
463.24188	3.7
463.29480	0.8
472.55936	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	463.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27763	0.3
54.00041	0.3
57.03442	0.5
59.01382	53.6
77.36835	0.4
84.18137	0.3
85.92541	0.4
87.97445	0.3
89.02441	1.6
89.35271	0.3
91.03999	15.2
91.45399	0.3
99.08156	2.2
105.27020	0.3
116.35735	0.3
125.09685	0.5
127.11274	1.4
139.11276	5.1
157.12350	0.7
167.14427	0.5
171.10260	17.1
171.11694	0.7
183.13902	2.5
193.12338	0.7
199.26765	0.4
211.13403	19.7
217.00266	0.6
229.14449	15.1
293.21280	1.8
311.22299	16.8
329.23352	100.0
373.20059	0.6
403.27020	14.5
433.06635	0.3
440.31641	0.4
463.20776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19012	1.4
58.00616	1.0
59.01387	26.8
73.18047	1.2
91.03989	2.8
129.09135	3.9
163.04031	2.2
169.12332	6.9
171.10323	2.3
181.12444	2.1
197.11919	1.8
199.13441	13.7
201.11293	1.5
211.13403	14.2
268.78946	1.2
293.21204	5.2
311.22272	51.7
329.23376	100.0
403.27228	18.5
463.30847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3069
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
52.84638	0.8
55.01901	1.1
59.01390	1.4
65.12439	0.7
69.63641	0.8
71.01364	6.4
78.95912	2.1
83.05060	1.3
83.45876	0.8
90.00259	0.9
110.98552	4.6
125.60135	0.8
132.82933	0.9
154.38306	0.8
167.01181	5.7
185.02249	3.5
187.95438	1.0
198.57047	0.9
295.26422	91.2
298.18857	1.0
329.28537	58.0
347.29654	1.9
355.30203	1.9
357.31583	17.5
373.27496	61.7
375.32614	11.1
377.11676	1.1
383.29648	1.1
401.30545	26.5
419.31808	4.6
445.29575	28.0
463.30594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3424
Annotation	Castasterone
Peak:m/z	Relative Intensity
50.84941	2.2
51.89244	2.5
57.75897	2.3
57.82995	2.2
59.01384	33.7
61.98846	2.6
71.01379	4.1
74.89194	2.3
78.13853	2.4
90.12480	2.2
92.18333	3.7
96.71014	2.7
99.08128	4.5
112.83558	2.9
123.04549	2.9
129.66840	2.6
134.27895	2.8
134.48785	2.6
139.11278	20.3
140.67679	2.8
164.37550	3.2
171.10217	25.7
174.99220	5.5
183.13908	10.8
211.13345	27.0
217.00313	27.7
255.23311	4.9
299.00714	3.9
301.21686	3.2
345.27756	3.0
347.29608	48.7
373.34833	4.1
381.31992	2.9
399.32523	5.4
407.31815	5.6
417.33774	5.0
445.33411	5.4
463.34445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3431
Annotation	Castasterone
Peak:m/z	Relative Intensity
51.11824	0.6
59.01372	3.5
64.18583	0.6
73.81213	0.6
87.14526	0.6
110.36440	0.7
119.77370	0.7
120.47858	0.8
123.08159	11.7
128.24643	0.7
133.06747	0.8
137.02432	3.1
168.39488	0.8
170.18236	0.7
421.33255	51.0
463.34305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.1
70.83668	0.9
76.70662	0.9
99.21483	1.0
123.04489	12.6
124.90337	1.2
132.16608	0.9
136.05275	21.3
151.07622	5.3
317.04272	1.0
419.35303	100.0
463.34338	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	464.2781
Annotation	Ascochalasin
Peak:m/z	Relative Intensity
50.47562	0.3
51.03078	0.3
62.04762	0.3
73.74712	0.3
78.95827	2.4
110.98456	0.8
140.01151	0.7
152.99506	0.7
154.61737	0.4
166.00919	0.4
167.01102	0.5
184.14316	0.4
196.03802	0.5
214.04778	1.5
227.20152	1.7
228.20444	2.0
267.23285	100.0
295.22607	0.5
296.23047	4.1
384.61279	0.4
390.58157	0.4
464.28003	33.1
479.31277	0.4
482.45087	0.5
488.88712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1037
Annotation	LMPK12140454
Peak:m/z	Relative Intensity
51.03003	1.5
53.51027	1.3
57.03442	2.5
59.01364	2.2
59.07635	1.4
70.00867	1.4
80.77516	1.5
83.01390	1.6
95.01351	2.5
123.00920	1.6
124.01649	1.6
125.02431	82.4
137.02470	1.9
151.00331	11.8
151.03975	2.9
152.01144	18.1
153.01883	6.7
165.89870	1.7
165.91183	2.2
175.03987	3.9
177.01842	2.8
178.99864	6.8
180.00668	2.1
181.01338	1.8
191.04868	1.8
193.05005	2.7
217.05016	13.1
259.06198	11.2
275.05566	11.6
278.83408	1.8
280.29950	1.7
285.04062	26.3
303.04965	3.9
437.10916	10.4
447.09232	2.8
465.10336	100.0
484.84860	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19155	1.0
54.40796	0.9
59.01374	5.2
65.00306	2.4
66.44869	0.9
68.30654	1.0
71.01364	4.2
72.97523	1.0
75.00862	1.1
83.01379	1.3
85.02964	1.3
100.38720	1.0
101.02416	1.4
103.53926	1.0
107.01350	10.1
113.02445	1.8
114.01956	5.0
115.79642	1.2
123.04492	2.2
125.02402	5.6
129.01997	1.5
132.73524	1.2
150.03227	2.3
151.00346	55.5
151.03958	15.6
152.01187	1.4
167.03439	1.1
173.07173	100.0
178.99835	2.4
181.05016	2.3
285.04031	34.3
335.12552	7.0
433.12384	10.5
465.10104	28.1
465.15237	30.3
465.20328	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	465.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56761	0.7
57.02240	0.6
59.01379	8.1
64.10560	0.8
68.21943	0.7
71.01383	8.0
76.69084	0.7
80.24741	0.8
82.02976	6.8
84.04533	0.9
84.25089	0.7
85.80221	0.7
89.02427	1.4
101.02406	3.4
108.93759	0.7
113.02435	1.4
115.00333	3.1
116.05054	6.3
123.04435	0.8
126.01200	1.0
126.01969	18.3
128.05077	0.9
130.06567	1.0
132.04523	3.5
132.12971	0.8
142.06598	8.5
144.04539	30.8
144.08177	10.8
146.06100	5.3
151.03981	1.1
157.05327	0.8
158.06100	7.1
160.07646	1.4
169.79950	0.8
170.00885	5.3
170.06079	6.1
172.04033	8.3
172.07597	1.8
174.05629	3.9
181.05066	1.1
184.04062	1.4
186.05580	6.9
187.05122	45.4
188.07169	12.6
197.07172	4.8
199.08742	1.1
204.06671	9.1
211.08649	1.1
213.06726	1.3
214.05098	21.6
215.08243	12.8
224.30862	0.8
227.08136	1.5
229.06152	3.5
229.09795	1.0
233.32544	1.0
239.08270	1.2
257.09311	44.6
259.07263	12.9
301.08359	1.0
331.09509	1.0
333.14337	1.4
334.09317	14.9
359.12219	1.0
377.09167	1.2
377.13577	20.7
391.56308	0.8
405.21368	0.9
421.12451	12.6
465.11465	100.0
486.41821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
59.01378	30.8
71.01366	6.6
73.02921	1.6
82.77674	1.3
83.01359	1.3
83.76011	1.4
85.02919	2.2
89.02448	6.4
92.18983	2.1
96.89877	1.4
96.95996	3.5
98.65462	1.7
101.02425	19.3
102.05598	33.3
113.02419	3.1
125.02426	23.4
128.03514	51.9
130.06572	5.5
132.78873	1.5
137.02486	1.6
146.04581	61.8
149.02394	2.4
151.00333	8.3
151.03992	1.4
153.01918	6.9
156.04486	2.0
161.04544	2.2
175.03961	2.5
176.01089	2.9
177.01921	5.9
178.99872	8.9
186.79936	1.5
187.05145	3.0
193.05101	1.7
200.07169	1.7
223.06039	2.5
238.65129	1.3
245.79364	1.5
253.07228	2.3
259.10907	2.2
285.04016	34.1
292.11948	7.6
302.85367	1.7
303.05078	32.5
336.10989	5.5
405.21506	7.3
465.15207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97871	0.8
54.46508	0.8
56.41654	0.9
59.01373	1.5
65.00325	1.0
71.01376	4.4
78.67236	1.0
83.05401	1.1
84.20707	1.0
101.02444	1.5
107.01320	1.3
112.15096	1.1
113.02434	2.0
114.01938	1.8
115.83918	1.1
127.50594	1.0
129.01907	1.8
130.06590	2.1
151.00325	9.4
151.04022	4.2
173.07170	100.0
181.89015	1.0
231.00900	1.0
238.61017	1.1
279.33710	1.1
285.04031	4.8
335.12488	11.7
357.90573	1.1
426.54727	1.2
433.12592	10.3
465.10211	3.4
465.15112	28.5
465.19873	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81414	1.9
57.03457	2.8
59.01097	4.0
59.01382	100.0
71.01377	27.8
73.02956	4.4
85.02930	3.0
86.04385	2.1
89.02444	31.9
92.18697	2.3
93.94624	2.1
95.46046	2.2
96.96973	2.1
101.02421	18.2
101.64991	2.5
101.82451	2.2
102.05605	5.2
113.02438	21.2
119.03484	11.2
121.06631	2.4
125.02415	13.9
128.03535	13.7
140.07156	5.3
144.04599	3.1
146.04611	18.5
149.09718	19.1
151.00395	3.0
153.09216	5.6
161.04553	11.5
167.10759	34.8
170.19006	2.3
179.05638	5.1
187.05078	3.0
225.14880	2.9
253.07191	2.9
257.09250	3.4
285.04135	11.1
303.05127	12.5
340.97360	2.3
405.21292	82.0
465.15088	27.6
465.24506	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3223
Annotation	28-Norbrassinolide
Peak:m/z	Relative Intensity
59.17482	2.2
67.06134	2.3
72.99321	2.9
76.33381	2.2
80.17560	2.2
83.05025	11.9
84.76070	2.3
92.18402	5.1
96.96005	2.2
109.06588	10.0
111.04517	76.7
114.68877	2.8
118.83472	2.6
121.84545	2.6
126.03316	7.9
127.03986	4.5
153.05533	6.2
260.53488	2.5
349.34766	14.8
359.33191	4.3
377.34317	43.7
421.33313	64.5
433.64560	3.1
465.32184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3219
Annotation	Varanic acid
Peak:m/z	Relative Intensity
55.01890	0.7
59.01371	1.2
60.68186	0.5
71.01380	5.9
71.07334	0.5
71.82292	0.6
76.97920	0.6
78.52758	0.6
78.95905	0.8
83.05001	1.1
107.83711	0.5
167.01143	0.9
191.44157	0.7
270.49704	0.7
297.24246	6.2
331.30084	48.7
333.73236	0.6
349.31433	0.8
357.31549	1.3
359.33191	15.3
375.29025	61.6
377.34320	9.7
403.32169	28.1
414.61340	0.6
421.33319	4.5
447.31189	26.3
465.27194	4.1
465.32205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1311
Annotation	Polycarpine
Peak:m/z	Relative Intensity
59.01375	4.0
71.01376	21.9
72.00890	7.4
88.04021	3.9
89.02399	2.4
97.45446	1.9
98.58598	1.8
115.00355	22.4
116.05037	32.3
132.02995	3.6
138.07335	1.8
144.04506	7.8
171.05617	56.2
188.07143	11.4
189.06720	13.4
193.98843	2.2
195.93970	1.9
199.08730	3.2
221.85428	1.9
234.44958	2.0
253.06863	2.2
351.12155	3.6
352.10339	4.8
449.11954	2.8
467.12979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08333	0.6
50.64238	0.7
57.03448	27.1
59.01374	20.3
71.01377	6.1
73.02917	0.9
74.99064	1.5
84.67910	0.8
89.02429	4.6
99.04507	15.6
101.02423	13.0
125.02435	7.0
136.99127	1.6
145.07678	1.5
160.06396	1.5
161.04550	10.1
161.05724	1.0
161.05956	1.1
161.07204	14.1
171.10172	1.7
175.08705	12.9
187.08788	5.8
189.06680	89.9
201.10332	4.2
203.08243	44.9
203.10124	1.9
203.11827	11.6
229.09793	28.9
277.11929	5.8
281.77786	0.9
305.11426	40.2
315.66281	0.9
323.12451	100.0
365.13535	23.2
405.16748	4.0
451.70026	1.0
467.16626	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.0
59.01382	43.9
71.00983	0.9
71.01379	25.8
72.97525	1.4
73.02935	5.6
80.98311	0.6
83.01375	1.0
83.05610	0.7
85.02938	7.6
89.02434	31.8
95.01389	4.4
99.04501	0.9
101.02430	26.8
102.40620	0.8
113.02440	35.0
115.34090	0.7
118.77518	0.7
119.03483	15.5
131.03505	1.1
136.99103	0.9
161.04582	0.9
161.08209	1.4
167.03485	3.2
323.13480	100.0
329.19916	0.6
365.14572	26.0
405.17651	2.6
407.23251	0.9
417.11917	1.4
454.12946	0.7
467.07178	1.1
467.17545	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	469.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13036	0.6
59.01368	0.7
64.70782	0.5
71.01386	2.9
74.23752	0.6
74.36953	0.6
79.10655	0.7
89.02431	88.6
91.86663	0.6
116.92827	1.2
143.10690	0.7
152.98621	100.0
191.14221	0.7
194.96881	0.6
212.15091	0.6
319.55981	0.6
469.19434	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1926
Annotation	Coroglaucigenin 3-O-sulfate
Peak:m/z	Relative Intensity
59.01385	12.2
61.96387	0.6
71.01385	14.0
72.97534	9.6
73.02950	5.7
74.99097	45.4
75.00827	0.7
78.46624	0.6
83.01388	2.8
85.02961	2.7
87.00878	2.7
87.28050	0.6
89.02444	10.0
93.06781	0.6
97.02951	2.6
99.08164	5.2
101.01814	0.9
101.02448	22.5
102.55466	0.6
112.08514	0.7
113.02418	7.8
119.03502	3.4
120.48229	0.8
125.02348	0.7
127.07675	1.6
128.35942	0.6
129.09209	0.8
131.03468	3.0
134.97578	4.3
136.99146	46.8
137.95117	0.6
143.03526	1.4
145.08707	37.8
159.10876	0.8
161.04529	10.9
176.00377	0.8
179.05630	2.6
221.06729	6.1
289.12933	1.6
301.55057	0.7
301.59073	0.7
307.14236	6.0
381.81558	0.7
440.32675	0.8
440.39120	0.7
469.19315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74886	1.0
59.01379	15.9
61.51602	1.0
67.66061	1.0
71.01376	8.5
73.02945	18.3
83.01381	2.5
85.02937	13.3
89.02449	2.3
101.02440	17.0
113.02419	2.7
119.03566	1.3
131.03546	1.4
134.02513	12.3
150.05589	1.5
160.04066	9.0
162.01962	100.0
174.02017	1.6
204.03067	1.9
218.00923	1.9
219.51277	1.2
222.04123	10.8
294.06277	1.7
307.10367	14.0
324.07254	7.1
470.13040	57.5
470.19562	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	470.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
62.61334	0.2
63.61167	0.1
71.01374	0.3
73.74477	0.2
82.02980	0.2
89.02441	1.0
101.02477	0.3
113.02406	0.2
119.03444	0.2
128.03542	100.0
154.31183	0.2
180.57330	0.2
264.10812	0.2
300.91635	0.2
341.10980	2.3
470.15155	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	470.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.6
59.50397	0.2
61.98829	0.4
62.31646	0.3
65.22600	0.2
78.95893	4.4
91.78017	0.2
91.79365	0.3
109.34713	0.3
124.42765	0.3
152.99513	2.1
161.55745	0.3
168.04256	2.3
171.13892	100.0
224.06924	8.0
233.39127	0.3
242.08032	0.6
396.21536	65.3
433.69324	0.3
470.25226	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	471.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56486	1.1
57.91916	1.1
59.01381	16.5
61.98827	2.4
71.01379	22.7
73.02951	11.6
74.99079	1.3
77.68620	1.2
83.01383	4.8
85.02942	14.9
89.02457	1.7
90.60751	1.3
91.14130	1.3
95.01392	1.5
99.00863	2.9
100.31318	1.2
101.02431	32.7
113.02420	13.7
119.04998	5.3
125.02427	1.4
155.21156	1.4
159.03035	1.5
161.04539	9.7
162.01866	1.6
163.03960	2.7
243.75322	1.5
249.13416	11.7
411.18726	100.0
437.46558	1.4
471.15054	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	471.3114
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
53.99765	0.4
59.01388	7.9
60.99326	0.5
62.09904	0.4
65.75744	0.4
69.03438	4.5
75.00877	3.4
79.78137	0.5
99.92580	0.6
103.82927	0.4
107.05018	0.7
109.06576	57.3
117.01926	1.0
122.17220	0.5
146.64925	0.5
148.03316	0.5
165.21907	0.4
175.04027	0.6
177.86093	0.5
178.19450	0.5
315.27008	2.9
319.33319	0.5
336.25653	1.0
337.25723	6.1
339.26926	0.7
353.28448	1.0
355.30075	39.0
381.31552	1.9
383.33185	19.9
409.31091	13.6
409.36072	0.9
427.32175	31.3
471.31158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3114
Annotation	Comnostin D
Peak:m/z	Relative Intensity
55.08014	0.6
67.12810	0.6
69.03436	4.0
69.43244	0.6
71.01361	1.1
78.05856	0.7
82.16608	0.7
83.05013	54.5
86.19732	0.6
97.02921	0.7
107.20324	0.8
125.06064	58.5
125.09677	7.3
146.85004	0.7
187.09753	3.5
201.85742	0.8
227.20155	6.4
273.15027	3.0
353.28430	1.3
355.30087	18.8
359.20557	0.8
383.33167	1.3
418.14508	0.8
425.30469	3.8
427.32178	39.3
429.29950	0.8
471.31143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13562	0.5
58.76896	0.5
59.01370	2.2
63.60138	0.4
64.90062	0.5
65.09790	0.5
65.85674	0.5
67.02988	0.7
71.01369	0.9
83.02511	0.7
92.05016	2.1
94.04104	0.8
99.92567	1.2
100.93327	1.3
102.05563	1.0
105.43414	0.6
106.02938	0.7
106.04076	2.4
109.99294	0.6
115.92055	3.1
116.92838	17.5
122.02422	2.2
126.06714	4.4
128.03510	21.9
134.02470	6.8
135.05635	3.2
136.04012	3.5
146.04579	5.1
147.05615	3.1
148.04013	10.5
149.04617	1.1
151.06226	1.3
160.03969	1.2
162.01947	40.0
163.06221	7.5
177.10353	4.9
189.10368	4.2
204.03096	0.6
214.09821	1.0
215.08250	1.2
221.09261	9.7
233.09264	18.0
256.12018	1.4
258.08847	2.6
266.85489	0.6
273.10095	0.8
275.11417	5.4
300.10989	16.1
343.11429	2.7
343.14828	0.9
360.16663	3.2
385.16254	6.9
404.15640	11.1
404.20529	1.0
411.14581	0.6
429.15167	2.6
454.14471	1.0
462.39877	0.8
464.67209	0.6
472.01804	6.1
472.15778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.4
58.08321	0.3
59.01374	28.3
59.57162	0.3
69.76455	0.4
71.01367	22.3
72.99292	0.4
83.83671	0.4
85.02917	2.2
85.99039	0.3
87.00837	0.8
88.04040	0.4
89.02423	45.1
95.01376	0.7
101.02426	16.6
101.03099	0.6
107.11016	0.4
113.02425	10.9
119.03472	15.2
120.70735	0.3
125.10471	0.3
128.03519	1.8
130.05046	2.4
130.08711	36.6
131.03474	1.9
136.03986	0.3
138.45961	0.3
143.03450	2.5
148.04008	0.7
149.04518	1.6
161.04547	2.4
161.52077	0.4
163.06216	0.5
179.05595	8.5
180.18619	0.4
221.09235	0.6
233.09369	0.8
269.30383	0.4
300.11102	0.6
341.10849	100.0
350.23071	0.4
404.15543	0.5
472.15640	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	472.3433
Annotation	Puqienine F
Peak:m/z	Relative Intensity
56.95886	1.2
73.28236	1.5
79.81209	1.3
98.72599	1.5
107.05020	2.1
109.05927	1.6
109.06570	17.9
139.60791	1.5
226.80588	1.7
273.89581	2.1
318.27878	11.3
339.03656	1.7
355.29837	1.9
401.44687	1.6
407.05603	1.6
411.32654	22.8
428.35400	28.9
472.34369	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	473.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18295	0.2
56.16450	0.2
58.02952	0.3
58.67726	0.2
59.00874	0.2
59.01397	0.4
70.02976	2.5
71.01386	0.6
71.02502	1.6
72.00928	0.6
82.25869	0.3
89.02450	1.1
95.02537	3.0
110.25823	0.3
111.01996	1.7
113.03572	27.6
114.01969	17.9
120.81332	0.3
121.89998	0.3
131.04625	100.0
174.29889	0.3
254.65932	0.2
295.42484	0.3
341.10876	2.5
360.47366	0.3
473.16071	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	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28735	0.7
54.94127	0.7
59.01388	7.6
64.12806	0.8
71.01366	4.7
85.02914	1.2
89.02425	5.9
94.43423	0.9
101.02432	3.9
113.02415	1.6
117.03427	1.1
119.03504	0.8
121.03001	0.8
132.02147	1.9
134.03725	20.9
135.06596	3.5
149.06070	5.4
160.01639	33.6
161.02301	1.0
175.03987	93.6
176.04764	1.0
191.07088	1.5
192.43564	0.9
193.05032	27.0
200.69450	0.9
219.73643	0.8
235.06180	6.0
295.08310	1.2
429.19510	1.0
434.08853	0.9
473.16635	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	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
65.81137	0.3
79.45080	0.3
82.17836	0.3
91.36818	0.3
112.23547	0.3
173.71780	0.3
212.64742	0.3
260.31131	0.3
267.07010	0.3
271.25125	0.3
321.20813	0.3
337.15848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2905
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
51.11720	1.4
56.27025	1.6
59.01350	2.3
61.82761	1.4
69.12939	1.5
77.57103	1.6
83.06236	1.6
84.29773	1.7
90.09443	1.6
109.06546	2.2
133.02887	3.5
134.03716	15.4
135.04442	2.4
141.01596	2.4
148.05171	2.1
160.01628	37.4
161.02414	4.4
175.03987	100.0
178.02661	2.6
178.52795	2.0
193.04965	8.8
227.20213	15.3
233.08084	2.3
297.24240	16.8
309.20349	4.4
373.27469	3.1
373.33667	1.9
411.32294	3.3
429.33487	7.4
441.26215	7.5
473.28741	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	473.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54432	0.2
59.01378	6.6
60.98461	0.3
63.27094	0.3
66.48677	0.2
69.29089	0.3
72.29102	0.3
74.56813	0.3
82.56567	0.3
90.75011	0.3
111.67642	0.3
249.16107	0.3
279.23270	100.0
436.79422	0.4
473.28079	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	473.3271
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
54.42642	0.4
59.01389	2.1
61.98839	2.1
62.11145	0.4
63.92825	0.5
69.03450	3.5
80.79010	0.5
103.79459	0.5
106.31568	0.6
107.05026	0.8
109.06574	62.4
116.33256	0.5
122.87623	0.5
134.03741	0.8
160.01718	3.2
161.02463	0.5
175.04007	12.4
175.05377	0.8
183.70302	0.6
201.81335	0.6
269.90253	0.6
297.24542	0.8
317.28537	3.6
355.30209	0.7
357.31619	46.4
359.29428	0.7
369.31873	0.7
383.33295	2.1
385.34753	22.7
385.39459	0.8
411.32730	15.6
429.33716	41.0
441.27060	0.9
446.72211	0.5
473.33026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3271
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
52.34202	1.8
53.29978	2.0
64.28324	1.9
66.02704	2.0
82.71852	2.2
83.05010	3.2
106.00639	2.1
112.60571	3.3
120.75769	2.1
125.05966	2.9
126.06378	2.9
180.93285	2.7
250.22325	2.4
279.34473	2.5
355.30011	8.5
357.31137	3.4
369.31842	4.0
411.32648	47.6
418.45468	2.9
429.33578	67.0
473.32724	100.0
493.74234	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	473.327
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.63012	0.6
61.58783	0.6
67.82996	0.8
69.03444	1.9
71.01359	1.2
74.55243	0.7
75.38194	0.7
83.05016	41.1
83.54597	0.7
106.24240	0.8
125.06059	48.5
125.06978	2.0
239.06711	1.0
355.30011	1.8
357.31717	13.9
383.33154	0.9
411.32822	3.5
427.32175	3.9
429.33698	39.5
473.32809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3274
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
51.60867	0.3
53.16493	0.4
61.00838	0.4
61.35810	0.4
61.81518	0.4
71.01361	0.8
82.84019	0.4
83.03657	0.4
83.04992	2.2
83.88161	0.4
104.25545	0.4
104.46151	0.4
121.06608	1.3
163.11270	4.8
180.30612	0.5
297.18634	2.4
315.26859	1.0
355.30096	5.6
357.31644	100.0
385.34402	0.6
393.31775	2.2
411.32690	13.0
429.29141	0.5
429.33768	24.7
473.32751	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	474.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85524	0.3
57.39159	0.3
58.15376	0.3
59.01388	0.4
71.01378	1.5
72.00891	0.3
83.23623	0.3
84.43217	0.3
88.04035	20.4
89.02445	0.5
101.02424	0.5
103.65198	0.3
106.13008	0.3
113.03562	3.0
114.01968	4.6
114.03893	0.4
115.00367	8.0
126.40706	0.3
131.04620	6.9
132.03024	100.0
132.06668	2.2
183.55025	0.4
189.26051	0.4
217.48558	0.3
341.11099	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	474.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
59.21766	0.4
65.88612	0.4
73.24924	0.4
74.38323	0.5
78.95891	4.4
98.50346	0.4
119.05017	2.0
145.02963	0.6
152.99559	2.0
163.03969	0.9
168.04314	2.8
173.54588	0.5
192.04355	0.6
199.17036	100.0
207.06639	0.6
224.06932	7.7
242.08017	0.7
304.02393	0.5
424.24725	53.5
474.23981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
61.75805	1.6
68.39998	1.6
81.88731	2.4
87.00871	18.3
92.18405	5.0
92.18991	3.5
97.17112	1.7
107.51492	2.1
116.92840	3.0
122.55668	1.8
148.81468	1.8
165.05566	2.6
181.08696	2.4
188.52626	1.7
225.07715	4.6
239.09198	2.1
256.07306	2.4
267.08749	3.6
269.04471	7.8
281.04330	7.1
282.05283	7.8
283.06104	56.8
293.04346	2.0
311.05612	97.5
313.14468	41.3
323.05554	15.2
327.70987	2.6
341.06647	26.9
415.12570	3.7
431.09891	9.5
440.39001	2.1
448.51636	2.3
475.08752	100.0
475.14639	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	475.1246
Annotation	Precatorin I
Peak:m/z	Relative Intensity
57.76948	1.5
59.01379	14.7
59.73849	1.5
71.01366	11.2
72.99292	2.0
75.00854	11.4
85.02946	15.4
87.00873	2.8
88.10851	1.6
89.02443	3.5
92.18394	4.5
95.01363	3.8
99.00857	11.8
113.02414	14.2
117.01942	2.5
121.02944	99.4
129.01941	1.8
144.74731	1.7
144.98709	1.5
150.17865	1.5
156.49881	1.6
181.16258	2.1
196.72501	1.9
262.23080	1.7
313.12921	1.9
353.08737	3.5
475.12503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1247
Annotation	Precatorin I
Peak:m/z	Relative Intensity
53.21264	0.2
53.46486	0.2
59.01383	0.8
68.14949	0.2
68.23373	0.2
71.01379	0.2
75.18605	0.2
75.65236	0.2
76.42375	0.2
79.26210	0.2
81.07861	0.2
85.20213	0.2
92.19011	0.3
101.02410	0.3
123.04518	0.4
128.03546	0.2
136.83611	0.2
145.02930	0.3
147.04553	0.2
163.03929	0.3
171.07663	0.3
181.05070	0.2
205.05095	0.2
207.03029	0.8
231.02959	0.5
269.04532	2.7
283.06039	0.3
285.04062	0.4
296.03329	0.3
297.04037	12.5
298.04865	0.7
299.05603	1.3
309.04077	0.3
310.04916	0.3
311.05630	2.5
312.02670	1.8
312.06390	2.3
313.03561	1.0
323.05573	0.9
325.03549	13.4
327.05106	25.6
335.14575	0.2
338.04041	0.2
339.05069	1.1
340.05872	4.7
341.06619	7.6
344.05365	0.4
353.06390	0.3
355.04523	5.0
355.08322	2.1
357.05881	0.3
367.04562	0.4
369.06201	0.2
370.06870	0.9
387.06934	0.7
399.07068	0.2
409.05908	0.2
417.08301	3.1
427.06512	0.3
432.10574	1.7
445.07770	9.2
460.10147	49.3
475.12476	100.0
481.98166	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	475.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
60.11774	0.3
61.43817	0.2
64.02845	0.3
71.01371	5.8
71.13632	0.3
72.99290	1.7
73.64886	0.3
75.00920	0.3
83.34712	0.3
87.00823	0.5
88.04044	1.6
89.02419	2.2
89.04356	0.4
104.13435	0.3
115.00358	29.7
131.04616	1.3
132.03020	9.5
132.94766	0.3
133.01424	100.0
133.03432	2.5
133.05034	5.3
178.45023	0.3
198.93451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67731	1.9
52.53763	1.9
60.20486	2.0
65.50665	2.3
69.82822	2.3
71.93694	1.9
92.18485	2.8
105.18725	1.9
112.44197	2.3
119.05013	47.8
120.55141	2.4
140.76384	2.1
163.04031	60.7
253.05106	14.2
264.04230	4.1
265.05078	14.4
266.05960	4.8
268.07465	11.8
279.06781	2.7
280.07434	22.5
281.04626	73.0
281.07663	4.1
295.06116	4.2
296.06949	35.1
311.09302	100.0
433.37119	2.8
475.30502	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	475.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92982	0.1
57.34753	0.1
59.01384	9.8
65.13439	0.1
68.31506	0.1
69.85589	0.1
83.02529	0.2
100.16336	0.1
113.23258	0.1
151.06071	0.1
281.24869	100.0
415.30603	0.6
475.35086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13138	0.6
57.02792	0.7
57.68148	0.6
58.02967	2.8
73.96123	0.8
74.02466	12.3
82.03003	0.6
86.02470	3.3
87.05649	0.9
88.85678	0.6
92.18291	1.5
97.04018	0.7
99.05645	9.9
101.07198	1.0
104.60914	0.6
107.06115	0.9
112.04033	0.8
123.05659	0.7
125.09710	1.4
127.05131	1.2
128.03526	35.3
129.90030	0.7
135.05675	1.6
141.06680	3.2
143.04616	58.7
145.06165	1.4
146.04567	5.3
153.06680	3.9
160.00740	10.1
166.09856	2.7
167.04617	4.0
167.08243	1.4
169.08653	1.3
170.84729	0.8
175.66940	0.8
177.03392	3.6
179.04611	10.1
181.06213	1.4
185.05653	0.8
185.68759	0.7
197.05576	1.4
210.08818	11.2
236.90785	0.8
242.07811	1.6
254.07889	5.8
272.08911	15.6
288.06662	2.8
306.07651	100.0
369.62598	0.7
380.43604	0.7
476.17264	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	476.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02954	1.2
61.98834	1.6
66.84249	1.1
74.02457	10.6
83.81967	1.0
86.02464	4.9
86.06090	1.2
99.05627	12.4
101.07175	1.4
116.92846	6.2
127.05104	1.2
128.03523	33.3
130.53101	1.3
141.06657	4.3
143.04611	58.8
146.04564	6.6
153.06691	1.9
160.00731	12.9
166.09811	3.8
167.04662	5.1
167.08229	1.9
177.03448	2.0
179.04597	11.8
179.54430	0.9
181.06140	1.4
185.05719	2.2
197.05722	1.2
210.08797	11.7
254.07774	8.0
272.08902	14.7
288.06519	1.2
306.07645	100.0
476.16916	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	476.2782
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
57.46234	0.3
70.32910	0.4
78.95901	9.4
95.63364	0.4
102.45188	0.4
107.13897	0.4
122.00082	0.5
140.01152	5.7
152.99541	0.9
159.34940	0.4
166.28471	0.4
196.03787	10.7
214.04898	1.9
279.23282	100.0
476.27820	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	476.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84100	0.8
59.01371	8.4
59.63871	0.9
60.80235	0.9
61.12079	1.1
63.01496	1.0
63.51882	0.9
66.31278	1.0
110.02481	6.4
122.02476	7.6
123.03256	6.8
136.04016	1.3
138.05602	100.0
163.72072	1.3
164.03519	23.1
177.00928	1.1
249.58365	1.2
293.21906	1.3
476.33862	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	477.1036
Annotation	Nepetin 4'-glucoside
Peak:m/z	Relative Intensity
54.20646	1.6
59.01370	4.1
70.14607	1.8
97.70940	1.7
143.04582	2.4
177.05598	2.5
185.38399	1.9
231.54253	1.8
243.02954	24.5
257.04550	9.9
271.02475	30.9
285.03976	15.0
286.04785	9.3
299.01892	11.2
300.02618	3.5
306.07513	4.0
314.04309	56.1
315.04984	3.4
477.03458	3.5
477.10300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1403
Annotation	Belalloside A
Peak:m/z	Relative Intensity
55.07285	2.4
57.54979	2.4
59.01391	25.8
60.38706	2.3
63.50243	2.2
67.20433	2.5
67.99693	2.3
68.85507	2.6
71.01391	4.4
72.99300	2.6
75.00846	4.3
85.02943	4.3
87.00863	28.0
89.02399	8.8
91.00341	20.4
99.04484	3.2
112.72522	2.6
122.02454	18.5
134.03751	16.7
149.06065	21.0
150.03204	16.6
165.05568	71.2
178.02649	19.4
193.05038	59.3
195.06630	20.3
210.79407	2.6
274.52881	2.6
341.10162	5.0
389.12659	4.0
477.14200	100.0
477.20190	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	477.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33999	0.1
59.01370	2.4
71.01363	1.0
72.99281	0.7
75.00858	15.7
84.28524	0.1
87.00861	0.4
88.03999	0.2
89.02425	4.0
94.05101	0.2
94.78893	0.2
98.89507	0.2
115.00314	1.2
117.00752	0.3
117.01908	2.2
133.01411	4.2
134.01730	0.4
134.94304	0.3
135.02974	100.0
135.20972	0.2
217.13338	0.2
247.56386	0.2
275.95798	0.2
341.10724	0.2
352.03900	0.2
379.08307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58354	0.6
55.11366	0.5
56.26762	0.6
59.01381	61.4
69.03447	1.0
69.75905	0.6
71.01378	40.8
71.01774	1.5
72.99293	0.7
73.02946	5.9
75.96979	0.7
81.03437	1.5
83.01392	3.5
85.02943	6.3
87.00864	2.9
87.23175	0.6
88.15827	0.6
89.02435	52.8
93.03445	14.9
95.01369	1.2
95.40526	0.6
97.02940	5.0
97.36538	0.6
99.00871	3.6
101.02438	38.9
111.00845	1.0
113.02439	20.4
119.03477	24.0
119.04327	1.0
125.02434	19.8
131.03511	5.2
143.03474	6.0
144.06909	0.7
152.01135	1.3
153.01949	0.8
159.02951	0.7
161.04558	8.8
167.03540	0.7
167.70451	0.7
179.05615	11.6
221.06633	8.1
245.06558	1.0
263.07687	4.4
323.09854	100.0
417.14044	34.6
477.12643	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01379	9.5
71.01369	6.5
72.99294	2.3
75.00868	9.5
78.95879	4.8
81.76591	0.6
85.02939	11.1
87.00861	2.9
89.02441	1.4
89.39091	0.5
95.01395	3.9
99.00867	5.3
103.00397	0.7
110.98542	3.1
113.02442	12.2
115.00372	1.0
117.01941	1.3
129.01953	1.0
167.01128	2.6
185.02208	1.4
227.20171	82.3
249.06261	5.7
267.07205	0.9
279.23364	8.2
280.23636	18.5
281.24951	3.2
291.19757	4.3
309.21042	0.9
309.24390	3.6
330.64172	0.6
477.27301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3585
Annotation	Clathriol
Peak:m/z	Relative Intensity
50.21006	1.0
52.63496	1.2
57.74207	1.4
59.01376	7.5
62.71105	1.4
63.10942	1.4
68.71962	1.5
71.01379	2.3
85.27347	1.2
85.49280	1.4
87.04588	1.5
109.06551	2.3
111.08112	1.8
111.40050	1.6
117.52000	1.4
143.13728	1.6
173.56844	1.4
223.86986	1.5
225.20781	1.4
261.24142	1.6
309.28101	2.6
333.31677	2.5
357.31631	1.7
359.29410	2.3
361.31128	47.6
387.36343	3.1
395.33179	2.9
397.34906	2.1
403.32108	3.3
411.32486	1.6
413.34390	7.6
421.33344	3.5
431.35394	8.5
438.14209	1.8
441.33780	7.0
459.34854	7.4
477.35904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2936
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.24215	0.3
78.69665	0.3
78.95892	8.0
82.02044	0.3
83.48586	0.3
88.70280	0.3
96.19116	0.3
130.41856	0.3
140.01166	4.9
152.99545	1.9
182.44676	0.3
189.73714	0.3
196.03787	9.8
214.04901	1.6
281.24838	100.0
391.01151	0.3
478.29361	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	478.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.2
62.42935	0.4
71.01369	1.9
72.62786	0.4
84.04522	2.9
94.02962	0.7
97.01688	2.0
106.04116	0.6
110.02457	4.9
112.04032	35.2
122.06123	2.7
124.04024	25.3
138.05624	1.0
140.07162	5.2
155.38792	0.5
166.05078	100.0
184.06149	24.6
208.12709	0.6
222.84499	0.4
276.83627	0.5
281.28473	3.2
313.27383	0.6
370.01086	0.5
465.11438	0.5
466.36609	0.5
478.35410	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	479.0983
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
52.81153	1.0
57.49068	1.0
59.01376	5.4
92.94334	1.1
108.02146	13.1
118.96793	1.2
123.04507	13.2
152.46773	1.6
161.02435	1.7
171.10204	2.7
209.11891	2.3
225.28781	1.4
233.04581	2.2
253.01279	2.1
257.04269	1.5
262.51047	1.4
293.21173	7.1
324.99890	24.2
326.00699	2.6
327.01349	1.5
339.01379	2.2
340.02283	46.3
341.02936	1.3
350.72607	1.3
355.04633	24.0
357.04822	1.6
421.05725	1.4
449.05197	13.5
464.07446	5.8
479.09811	100.0
479.24139	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	479.099
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
57.32012	1.1
59.01377	1.9
71.35004	1.3
71.65504	1.4
107.01436	1.4
123.00835	1.8
143.32076	1.3
151.00374	30.1
166.02666	2.6
167.01173	1.6
171.10283	2.3
274.80609	1.5
283.02542	2.2
297.04044	1.6
299.01962	11.8
311.22235	2.0
313.03412	1.7
314.04395	10.6
329.06656	5.3
331.19208	5.4
402.03693	2.7
404.05298	1.5
418.03564	2.5
432.05093	11.7
433.05716	31.5
435.07126	2.0
447.07092	13.8
464.07507	11.6
479.09924	100.0
479.24084	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	479.1199
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
50.11228	0.6
51.58966	0.6
57.03445	1.5
57.54077	0.8
59.01370	1.9
71.01357	0.8
83.01381	0.9
89.42516	0.8
109.02922	0.9
110.99236	0.8
121.02972	1.5
125.02435	61.2
148.16592	0.8
149.02415	8.3
151.00343	12.3
151.03981	4.6
152.01135	8.4
153.01910	7.4
165.01932	20.1
165.05487	0.8
167.03479	1.6
178.99864	15.2
191.03592	1.3
209.04620	1.2
231.06557	1.5
237.37541	0.9
258.05399	1.5
271.06128	1.2
273.07666	3.9
274.04776	5.8
284.03278	21.2
289.07196	48.1
289.10431	1.6
299.05652	38.7
317.06720	14.2
451.12454	2.0
461.10693	3.7
479.11963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1197
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
54.99909	0.7
59.01381	3.1
68.37991	0.7
71.01379	6.5
73.02924	0.9
75.28492	0.7
83.89737	0.7
84.50614	0.7
85.02922	1.4
93.03491	5.0
96.99279	1.6
101.02426	3.5
104.66142	0.8
108.02147	5.2
109.02921	1.6
113.02429	5.7
123.04498	20.0
125.02405	1.0
137.02435	17.5
150.03163	1.4
151.00336	5.3
152.01138	12.3
153.01907	7.1
163.03912	1.1
166.02701	7.5
167.03482	84.0
177.99362	0.7
181.05045	11.2
194.02182	5.9
195.03004	0.9
205.05219	0.8
209.04544	44.8
221.04469	3.2
239.05673	2.7
251.05553	1.0
269.06665	7.3
282.05450	1.0
285.07642	3.2
296.05432	2.9
297.06125	0.8
309.15491	1.1
311.07678	9.1
317.05399	1.0
377.69351	0.8
397.17438	0.8
479.11935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1195
Annotation	Padmatin 3-glucoside
Peak:m/z	Relative Intensity
57.36260	0.9
59.01392	7.3
61.85238	0.9
63.02392	1.9
65.00319	2.4
69.78581	1.1
71.01371	1.9
78.29802	0.8
83.01366	6.7
86.73784	0.9
101.02424	1.8
107.01368	10.0
119.92430	0.9
123.00862	1.5
125.02409	9.0
134.18684	1.1
137.02420	4.1
140.53502	1.1
151.00356	32.3
152.01134	36.5
164.27493	0.9
165.05502	5.1
169.01411	1.4
178.99863	34.8
179.03369	1.6
180.00650	13.5
185.48645	1.1
203.54149	1.0
203.78925	1.0
207.06535	1.1
243.12364	1.4
284.03287	32.0
286.58981	1.0
289.07272	3.9
295.09805	1.1
299.05618	45.0
321.37869	1.0
348.67740	1.2
479.11902	100.0
479.20975	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	479.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	19.3
59.01383	13.8
70.36726	2.0
71.01382	4.2
75.00869	17.3
75.49616	2.0
80.34875	1.8
89.02439	3.1
90.05856	1.9
101.02440	2.1
103.59972	2.1
106.76006	2.4
122.03738	8.0
163.04047	3.8
180.04269	9.6
195.06621	100.0
254.29712	2.2
286.04782	23.2
293.21246	3.6
301.07245	25.8
363.88782	2.5
422.76755	2.5
426.08673	2.3
479.26443	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	479.1568
Annotation	CHEBI:66720
Peak:m/z	Relative Intensity
54.53836	1.2
55.33611	1.3
57.03484	1.1
63.31738	1.3
63.55842	1.2
71.01389	1.7
86.78411	1.6
108.02154	11.1
116.83045	1.7
123.00902	22.3
123.04527	23.4
124.01648	12.2
128.49510	1.7
136.01663	6.7
141.76669	1.7
163.03995	12.9
184.66170	1.9
215.49315	1.7
216.06766	1.7
234.48466	1.8
257.04663	2.1
271.06049	2.7
272.06946	42.8
287.09299	100.0
289.07199	9.9
317.07144	4.3
317.10330	89.1
424.74881	2.0
449.14774	7.0
451.12390	2.2
479.15829	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	479.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30632	0.1
50.66758	0.1
59.01371	0.9
67.90750	0.2
71.01377	0.4
73.02931	0.2
80.05269	0.2
83.05112	0.2
85.02937	1.1
90.48592	0.2
92.95969	0.2
101.02442	2.7
117.46904	0.2
131.00058	0.2
131.03474	0.5
163.06128	4.7
171.45973	0.2
173.67921	0.2
221.87473	0.2
255.23317	100.0
264.45053	0.2
309.28003	0.3
310.28549	0.3
311.28705	1.4
357.21527	0.2
376.78537	0.2
384.86218	0.2
419.30234	4.9
479.30435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3382
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
59.01379	4.7
65.96154	0.5
71.01389	1.5
77.85079	0.6
104.63277	0.7
119.60944	0.7
131.38631	0.7
133.02950	0.8
134.03687	1.0
136.08281	0.7
148.05229	0.7
153.05614	0.6
160.01677	1.1
175.03995	7.2
177.01981	1.0
206.36800	0.8
224.48347	0.7
229.50449	0.6
261.03775	0.7
301.21906	0.7
311.29239	0.9
343.30042	30.4
345.31622	45.9
357.31512	1.1
373.34769	18.4
377.30865	1.0
389.30594	1.4
391.35919	3.1
399.32898	1.3
417.33780	65.4
435.34839	4.3
444.28772	0.7
464.25708	3.6
472.67331	0.8
479.28009	12.2
479.33850	100.0
491.96835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69977	3.1
55.81081	2.6
61.81896	3.4
68.65718	3.0
69.12743	3.4
71.05009	3.7
85.92428	3.5
93.64455	4.0
101.93694	3.3
109.06564	8.4
111.01514	3.5
123.04498	12.9
127.07599	13.2
136.05287	18.6
137.06065	95.9
151.07587	28.1
155.07152	14.8
157.55663	3.3
165.09213	6.2
177.94296	3.3
187.35890	3.3
193.08713	6.9
223.46161	3.3
281.28513	19.3
311.29526	18.4
335.63577	4.0
340.06537	3.6
341.30630	44.8
347.65356	3.6
408.57721	4.2
419.35391	100.0
436.95081	3.9
441.20392	4.1
475.98746	3.8
479.31253	5.8
479.37653	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	480.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68311	0.5
54.59035	0.6
67.03411	0.7
84.04539	20.1
125.89059	0.8
162.02290	100.0
364.89328	0.8
365.42758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3087
Annotation	LysoPE(0:0/18:0)
Peak:m/z	Relative Intensity
51.20835	1.0
54.39373	0.9
63.76487	0.8
71.60592	1.0
78.95893	88.1
85.29281	1.0
88.30674	0.9
96.96930	6.1
107.42778	1.0
118.69894	1.0
152.99577	27.1
168.60805	1.1
171.00620	41.6
406.27133	1.9
480.30975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62877	0.3
61.69658	0.3
61.98826	2.8
68.53247	0.5
78.95902	9.5
133.74283	0.5
140.01195	4.4
150.97682	0.4
152.99573	0.9
196.03818	10.7
214.04950	1.0
255.23367	0.5
256.23788	0.5
283.26431	100.0
480.30984	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39396	0.1
66.92134	0.1
69.85790	0.1
72.57739	0.1
78.95902	3.0
88.02106	0.1
91.30378	0.1
92.18989	0.3
110.98466	0.3
124.17451	0.1
127.09231	0.1
141.72990	0.1
152.99608	0.3
167.01097	0.3
168.04294	1.3
171.00699	0.1
193.55605	0.1
209.81816	0.1
224.06821	0.9
234.75404	0.1
242.07945	1.7
255.23286	100.0
270.24393	0.3
312.25537	1.8
315.85040	0.1
480.31100	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	480.3097
Annotation	LysoPE(0:0/18:0)
Peak:m/z	Relative Intensity
50.31997	0.2
57.46159	0.2
60.10815	0.2
78.95890	9.7
85.38365	0.2
92.69379	0.2
96.96950	0.2
135.46997	0.2
152.99571	2.8
168.04259	3.4
182.28329	0.2
224.06915	7.5
237.76151	0.2
242.08014	1.5
255.23277	100.0
281.24811	4.6
282.25204	5.8
283.25455	8.9
283.28488	0.4
328.54886	0.2
357.84366	0.2
377.22580	0.2
420.70975	0.3
480.30850	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	481.1139
Annotation	Silybin
Peak:m/z	Relative Intensity
57.03450	3.6
59.01375	1.3
65.00310	1.0
65.44426	0.8
71.34404	0.9
73.95237	0.8
74.74153	0.8
75.00877	0.9
83.01354	1.6
84.69113	0.8
103.18387	0.9
104.55181	0.9
107.01335	1.6
111.00825	1.1
121.02925	2.1
123.00879	2.2
124.01639	1.4
125.02430	91.4
139.04018	1.1
146.03737	1.0
147.04453	0.9
149.02437	2.1
151.00375	14.2
152.01154	21.1
153.01953	7.0
161.02235	1.0
161.06003	1.3
162.02257	1.1
163.63026	0.9
171.04460	1.8
178.99850	10.8
179.07097	1.9
180.00652	2.1
187.03979	3.9
190.91968	1.1
201.05582	1.2
213.05704	1.2
215.03525	3.6
216.04309	1.7
229.04982	5.9
230.05673	1.0
237.90831	1.2
255.03082	1.7
256.03815	1.1
257.04547	4.0
258.05313	1.4
273.04044	7.8
274.04810	1.9
283.02307	2.2
284.03241	5.7
284.50595	1.0
301.03659	7.3
306.20880	0.9
319.75476	1.1
435.10822	1.5
453.11942	20.0
463.10452	3.9
481.11398	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	481.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80050	1.6
51.12371	1.3
55.72326	1.3
56.20950	1.7
59.01373	11.6
59.88383	1.7
65.16124	1.5
78.95896	3.6
96.63465	1.9
104.30471	1.6
117.64401	1.7
152.20323	1.7
152.99615	1.9
199.17018	79.8
204.05112	1.8
214.91479	1.9
224.06874	8.2
263.11700	1.7
266.29828	1.9
294.87454	1.9
424.24680	100.0
481.26868	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	482.107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
89.02402	2.4
101.02431	2.1
104.31084	1.5
113.66663	1.7
122.02454	100.0
136.04016	6.3
140.07129	1.8
162.01933	3.0
320.02136	2.0
320.05447	13.0
446.13068	38.2
482.10580	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	482.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
74.73063	1.6
95.44493	1.8
117.44899	1.6
129.17520	1.9
152.29640	1.6
366.76825	1.7
443.95755	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	483.1512
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
50.06184	1.3
59.01087	1.5
59.01382	41.6
63.88841	1.1
71.01372	20.7
74.99083	1.7
78.61246	1.2
78.76067	1.3
81.66585	1.4
85.02926	5.8
88.98797	1.4
89.02430	23.3
91.71066	1.2
99.98904	1.3
101.02433	13.8
104.04313	1.3
113.02436	10.0
116.92819	2.9
119.03483	6.8
119.04271	1.6
125.65821	1.7
143.03535	1.4
151.11633	1.5
191.98579	1.4
216.00621	73.5
231.02965	89.0
254.00800	1.4
262.08469	38.1
270.05450	2.0
277.10806	9.7
285.07822	9.9
288.06387	6.0
288.26367	1.5
292.88559	1.5
303.08823	22.5
321.09769	5.8
337.07550	1.7
483.15067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87535	1.3
52.12428	1.4
58.87271	1.3
59.01371	2.8
60.07528	1.4
71.01360	12.5
78.95901	3.1
87.92522	9.9
89.02447	4.0
90.94896	1.6
96.95993	10.2
96.96950	8.3
97.02928	13.6
98.03262	3.2
98.06085	1.6
100.04053	25.4
101.02422	2.8
103.59301	1.6
103.92029	17.7
104.92777	11.9
105.93575	2.6
108.86767	1.4
111.95756	1.4
113.02431	3.8
119.03533	1.7
123.94627	3.2
130.94347	2.3
141.01926	6.9
141.84624	1.6
142.02315	1.9
142.05080	84.5
158.93837	3.0
159.89384	6.3
162.01926	10.9
171.94624	100.0
171.96107	3.3
172.95494	3.0
184.95450	1.7
201.95670	34.0
214.96404	3.3
216.97896	2.5
222.04025	2.2
249.97556	1.9
257.98309	18.5
273.97818	7.5
274.98608	2.8
291.77411	1.7
321.99887	8.5
341.10846	14.8
342.11121	6.8
361.99670	5.8
373.99265	2.1
378.02432	1.9
380.00363	2.7
386.11069	3.3
392.00519	2.5
396.03647	22.0
410.01578	3.6
412.03082	7.1
450.44595	1.8
484.01648	46.4
484.16635	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	484.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74681	1.7
51.79456	1.9
58.02953	2.2
64.22710	1.9
67.44351	1.7
74.02473	11.5
86.02468	4.7
95.92188	2.0
99.05656	10.0
117.84909	2.2
125.76307	2.1
127.05095	2.7
128.03528	36.1
143.04630	61.0
146.04596	3.4
160.00757	11.5
162.01958	2.6
167.08284	3.4
177.03360	2.7
179.04628	10.8
185.05742	2.5
210.08830	14.4
254.07751	4.7
272.08890	4.9
288.06500	3.8
306.07712	100.0
317.41171	2.8
484.13998	23.3
507.46426	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	485.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56119	0.9
57.03452	15.0
59.01384	33.7
62.08685	0.8
70.04947	0.8
71.01381	22.3
73.02941	7.8
83.01396	4.6
85.02921	2.5
87.00872	11.1
89.02443	40.7
89.02975	2.0
99.04501	13.9
101.02442	28.9
113.02437	17.8
119.03484	13.9
123.04555	1.4
125.02431	5.3
129.01935	1.3
131.03470	2.5
143.03517	18.0
149.04591	1.1
161.04539	6.9
171.94658	1.4
179.05644	11.0
221.06821	1.5
256.32266	1.1
319.00015	1.3
323.09860	1.5
341.10876	35.7
383.12106	7.9
485.15198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11446	0.3
57.03447	2.7
59.01370	3.7
83.05017	7.5
109.06571	2.1
111.08143	100.0
129.09155	0.6
153.10901	0.6
155.07179	0.5
159.56850	0.4
167.89398	0.5
173.08170	40.0
173.28401	0.4
229.10802	15.5
247.11855	13.1
255.23282	82.6
256.23581	1.9
277.59424	0.5
346.59641	0.4
432.65933	0.5
433.07599	0.5
442.64206	0.5
442.70206	0.5
454.27573	0.5
485.21497	3.7
485.29129	2.1
485.34808	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	486.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36919	0.5
57.12737	0.4
58.46042	0.5
59.01392	0.8
63.55360	0.5
64.53980	0.5
66.94798	0.4
83.12296	0.5
92.86677	0.5
98.03012	0.5
106.02984	4.8
134.02484	18.9
134.03500	0.7
137.02426	3.4
137.89259	0.5
139.36665	0.5
160.03989	0.9
162.01959	100.0
205.91858	0.6
398.24796	0.5
486.09979	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	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24203	0.2
54.44148	0.2
59.01115	0.4
59.01377	5.3
60.70969	0.3
61.49770	0.2
71.01377	5.0
75.00850	0.3
76.57302	0.2
82.28473	0.3
83.01368	0.4
85.02940	1.3
85.60111	0.3
87.00873	2.1
89.02432	6.1
92.18354	0.7
93.03441	0.3
95.01378	0.4
101.02432	3.4
105.10406	0.3
113.02441	3.3
117.03448	7.5
119.03510	1.8
119.05011	27.9
121.02944	0.4
133.06610	1.1
145.02940	100.0
161.04718	0.4
161.06071	6.8
163.03996	46.9
173.49225	0.3
177.05489	2.4
187.03932	1.2
191.07092	0.2
205.05058	9.0
235.06149	2.5
265.07190	7.3
289.07056	0.3
307.08234	2.7
325.09290	2.4
341.94754	0.3
487.14597	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	487.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56198	1.2
52.64281	1.1
56.76541	1.1
59.01380	9.3
60.94893	1.2
70.62346	1.4
71.01359	7.6
71.99308	1.2
74.03596	1.2
81.85886	1.1
85.02928	1.6
89.02425	10.2
101.02416	8.2
113.02422	5.1
117.03439	7.4
119.03530	2.1
119.05002	32.8
128.03571	1.3
145.02930	100.0
152.24069	1.7
152.25273	1.3
160.04050	1.9
161.04503	1.6
161.33398	1.2
163.03986	53.3
208.90498	1.4
211.15317	1.2
235.06125	1.6
307.08252	1.4
441.19574	1.4
487.14587	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3062
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
59.01375	0.2
64.75561	0.2
93.03447	0.2
137.02446	0.6
188.79248	0.2
199.78139	0.3
298.40869	0.2
337.12384	0.5
451.32822	0.4
480.29175	0.3
487.30634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3063
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
52.91395	1.6
59.01386	19.0
68.84062	1.7
70.02977	2.5
85.02943	6.8
93.37256	1.6
95.04990	3.7
107.05037	3.2
116.91645	2.0
123.04520	10.6
125.06075	2.1
128.07167	3.8
130.03311	4.3
140.02068	1.7
146.08214	24.8
150.44865	2.0
172.96002	2.2
175.61374	1.9
178.21202	2.4
217.11914	2.9
226.21692	3.9
227.20183	20.0
259.11188	7.4
277.12277	25.4
281.88535	2.0
339.26996	2.9
341.28415	16.4
353.28625	2.0
355.26398	2.7
355.30142	19.0
359.29483	10.4
369.27951	8.6
369.32007	2.8
371.29099	2.6
371.33176	20.5
381.31787	14.9
397.31113	8.8
399.32721	14.9
425.30569	26.1
443.25601	3.4
443.31683	100.0
487.30966	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	487.3429
Annotation	Yardenone
Peak:m/z	Relative Intensity
71.54047	0.6
83.73665	0.6
132.02115	0.7
133.02942	24.3
134.03723	19.9
136.01576	0.8
147.04538	0.8
148.05281	6.4
149.06067	13.9
160.01620	18.4
162.03214	0.7
175.03984	38.1
177.01927	14.7
178.02702	0.8
179.03456	1.3
187.73807	0.6
192.04340	0.8
193.05063	7.2
218.39261	0.7
302.73038	0.6
335.72336	0.7
352.93005	0.7
472.31909	28.8
487.34262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42996	0.7
69.29744	0.8
75.43036	0.7
79.23866	0.8
93.03430	26.5
137.02419	100.0
159.40619	0.8
160.04001	1.1
350.08740	0.9
393.39740	0.8
393.73764	0.9
488.12384	6.4
488.30991	1.7
497.69577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61977	0.7
58.02402	0.6
59.01385	0.8
60.74484	0.6
61.98822	0.8
65.10929	0.7
70.12530	0.7
79.77293	0.8
90.53383	0.7
93.03438	25.6
93.06750	0.8
105.14091	0.8
118.02978	1.5
137.02438	100.0
146.02469	11.4
218.80731	0.8
284.40576	0.9
334.34720	0.9
341.08691	1.2
350.08743	0.9
488.11829	8.3
506.66592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51669	0.2
59.01382	1.9
59.67033	0.2
71.01383	1.0
73.02914	0.3
73.67323	0.2
78.03462	0.6
89.02435	0.4
101.02423	1.7
102.05585	4.3
106.02956	3.8
111.88496	0.2
113.02429	0.4
121.04973	0.3
128.03522	4.2
134.02466	14.2
134.03493	0.5
145.06137	0.3
146.04572	17.8
146.08223	0.4
160.04030	3.2
162.01947	100.0
186.02003	0.5
204.03001	1.0
205.18112	0.3
216.90381	0.3
231.72429	0.3
265.08920	1.2
283.10275	0.4
310.61435	0.3
325.11295	1.4
331.02499	0.3
332.50931	0.2
344.30182	0.2
470.12979	1.3
488.14117	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	488.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53691	0.2
66.75774	0.2
68.78519	0.2
70.09257	0.2
87.62864	0.2
90.23103	0.2
91.86378	0.2
93.30561	0.2
101.31113	0.2
102.05607	25.4
127.05120	0.6
128.03535	26.7
135.51465	0.2
139.39742	0.2
145.06201	4.3
146.04596	100.0
219.10579	0.2
243.21220	0.2
341.10892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.0
71.01366	4.0
72.02000	2.1
73.72275	2.1
75.00872	13.0
78.17352	2.4
79.01521	2.5
82.94331	2.3
84.95137	2.6
85.02953	16.8
87.00874	4.2
89.02448	3.2
99.00875	13.9
113.02430	19.2
117.03457	3.9
121.02934	89.6
121.03757	4.1
230.62701	2.5
249.06152	38.2
328.18234	2.6
371.09833	100.0
489.14102	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43616	0.3
59.01370	5.4
63.96418	0.4
71.01356	4.6
73.02939	0.9
85.02955	0.7
89.02434	6.0
96.16906	0.4
99.23006	0.5
101.02407	4.2
102.05641	0.5
113.02416	2.0
114.17248	0.4
116.92867	0.8
117.03440	0.4
119.03486	2.1
132.02147	0.9
133.05013	0.4
134.03719	23.4
139.94922	0.5
149.06047	6.4
151.06056	5.0
159.02867	0.4
160.01636	30.9
173.06097	0.5
175.03973	75.0
176.04779	1.7
178.02681	1.9
179.03427	0.7
191.07092	7.6
193.05032	41.1
207.06606	2.2
220.03777	0.6
235.06110	15.8
265.07123	0.6
286.30368	0.5
295.08136	2.8
389.27930	0.5
401.14966	0.5
489.16098	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	489.1621
Annotation	Erythroxyloside B
Peak:m/z	Relative Intensity
59.01374	1.6
69.73692	0.2
71.01390	0.4
78.42065	0.3
89.02440	0.7
121.02927	1.7
123.04482	0.3
139.03958	1.2
151.04005	1.9
165.01968	0.5
166.02715	16.4
173.66251	0.3
181.05067	100.0
223.06113	0.7
327.12503	2.8
329.06195	0.3
343.10059	0.3
476.57828	0.3
489.16165	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	489.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47681	0.7
51.86348	0.7
52.20321	0.8
52.20604	0.9
56.74743	0.8
58.93395	0.8
59.01388	0.8
71.01357	3.5
72.99306	1.7
75.00872	100.0
77.24532	0.8
85.02941	1.1
87.00893	1.6
101.02462	1.6
113.02473	1.3
118.46790	1.1
118.88287	0.9
135.45401	0.9
146.04620	1.9
147.03003	3.5
147.06633	12.8
341.10971	4.1
413.16754	5.5
489.18143	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	489.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87275	0.6
59.01375	1.1
62.21912	0.6
68.99784	0.6
80.32754	0.8
85.02944	8.3
87.87323	0.6
92.59116	0.8
95.05004	7.4
107.05026	6.3
108.02169	1.0
123.04514	10.2
125.06023	2.1
203.24037	0.7
341.28433	0.9
343.30115	15.5
355.29929	3.0
356.27499	0.9
357.27710	0.8
357.31628	18.3
359.29651	1.1
361.31207	11.3
371.29065	5.4
371.33240	4.7
373.34827	19.0
375.28885	2.9
383.33093	13.7
385.31061	3.5
389.30737	0.9
399.32785	10.1
401.34204	14.9
409.31296	2.8
417.33789	2.6
427.32126	31.5
445.33249	100.0
489.32141	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	489.3225
Annotation	Homaline
Peak:m/z	Relative Intensity
57.03442	3.5
59.01376	1.2
59.43459	1.1
62.01827	1.3
63.87627	1.1
63.97718	1.1
68.71882	1.2
68.93134	1.4
69.33490	1.3
72.05707	1.3
74.39285	1.3
95.94169	1.2
109.06586	44.0
109.69135	1.3
117.86742	1.5
126.56179	1.5
160.58699	1.5
165.11057	1.5
199.17178	1.7
373.31143	26.9
385.31094	7.8
401.34277	2.7
427.32336	10.8
445.33307	31.0
489.32309	100.0
506.01523	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	490.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64063	0.6
57.06256	0.6
59.01377	21.5
64.82709	0.5
68.23216	0.5
71.01374	18.2
74.80445	0.7
77.11344	0.6
82.83163	0.6
85.02942	2.7
87.00877	1.2
89.02433	35.8
95.01382	0.6
100.04031	4.3
101.02432	13.3
113.02449	10.2
119.03470	15.3
128.03517	1.2
131.03516	2.4
143.03494	2.7
146.04584	3.5
147.03015	1.2
147.06633	4.1
148.04369	51.8
148.06969	1.1
149.04520	0.9
161.04547	3.0
179.05647	8.1
257.60745	0.7
266.32736	0.6
341.10880	100.0
377.55402	0.7
432.77844	0.7
438.94391	0.7
490.16263	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	490.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.8
60.03025	0.6
61.14523	0.5
78.95900	11.0
86.28133	0.7
110.65728	0.8
152.99631	1.1
154.02765	4.8
210.05353	9.4
228.06419	1.3
261.22678	0.7
266.70844	0.8
268.97821	0.7
279.23300	100.0
319.08023	0.8
319.19879	0.7
322.24249	0.7
433.12631	0.7
438.10416	0.7
453.47128	0.8
490.29504	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	491.1197
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
96.79433	0.4
121.03002	0.2
160.05331	1.0
161.02440	0.3
164.04845	0.2
175.07669	0.9
189.74487	0.2
192.07933	0.3
226.02806	1.7
227.03566	1.1
243.02971	1.6
253.01527	0.4
270.01746	1.2
271.02493	11.2
282.05344	0.5
284.03296	1.1
284.33038	0.2
285.04050	8.0
287.32104	0.2
299.01990	21.7
299.05215	0.8
309.04172	0.2
312.02789	1.0
313.03555	52.5
314.04367	7.2
315.05194	1.4
327.05099	1.9
328.02213	0.8
328.05853	7.5
329.06635	2.7
329.13864	3.3
341.02948	0.9
343.04565	5.2
345.73087	0.2
357.06189	0.4
372.79135	0.3
389.08896	0.4
461.07285	39.1
475.09088	0.5
476.09613	14.9
491.11972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
68.45769	0.2
71.01379	0.2
84.50790	0.2
101.62640	0.2
102.34806	0.2
107.01427	0.3
126.26136	0.2
133.00552	0.2
149.02451	1.5
151.00282	1.6
164.04799	0.2
181.05106	1.4
182.05438	0.4
183.05571	0.5
221.04707	0.3
227.03525	0.2
243.06769	0.9
255.03081	0.9
270.05466	0.7
270.09430	0.2
271.02527	1.2
283.02328	0.3
285.04068	0.9
285.07742	1.1
286.04813	0.3
298.05060	0.2
299.01981	19.7
300.02875	0.4
300.06400	1.0
301.07385	0.2
313.03641	2.7
313.06949	0.3
314.04337	44.9
315.05106	2.9
328.05737	1.6
329.06677	100.0
354.09821	0.2
371.07806	1.7
450.46368	0.2
461.07016	1.9
476.09518	0.8
491.11957	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1406
Annotation	Pregnenolone-3,21-disulfate
Peak:m/z	Relative Intensity
50.55962	1.0
55.98740	1.1
57.11835	1.1
59.01365	5.7
59.87662	1.0
61.99165	1.1
67.90534	1.3
71.01376	7.3
87.00872	2.2
89.02431	2.7
89.41721	1.3
100.45567	1.2
101.02422	6.3
103.76057	1.2
108.02138	5.6
113.02399	3.1
113.54301	1.4
121.02927	1.9
121.23629	1.3
123.04498	28.1
128.68857	1.2
151.00281	1.8
151.42271	1.2
152.01167	9.6
166.02705	2.3
167.03485	100.0
181.05115	2.4
205.32629	1.5
209.04556	32.0
269.06650	9.6
280.20023	1.6
296.05325	1.6
329.08890	2.3
404.78925	1.4
491.14084	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28923	0.1
59.01373	2.3
69.03427	0.1
71.01375	1.3
73.02927	2.0
75.00861	2.6
85.02908	0.1
87.00856	0.8
89.02426	10.5
91.27888	0.1
101.02441	0.6
102.05560	0.2
103.03991	1.8
128.03551	0.2
130.04004	0.1
130.05119	0.2
130.99815	0.2
131.03488	4.9
146.04617	1.1
147.04887	0.5
148.05019	0.2
148.06129	0.7
149.04529	100.0
372.04559	0.1
491.16241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95633	3.5
59.01098	4.6
59.01383	100.0
60.34945	2.7
68.82082	3.5
71.01375	46.2
73.02945	16.4
83.01357	4.0
85.02945	18.3
87.00862	3.7
89.02437	31.5
95.47343	3.1
96.14377	4.3
97.02914	6.7
99.00880	4.1
101.02424	40.6
103.04014	20.2
108.02177	8.8
119.03549	6.0
125.02425	39.2
163.06180	26.8
170.40041	3.5
227.49541	4.0
247.08122	4.7
277.74399	3.9
307.10355	81.3
323.09583	5.6
431.15649	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	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
66.89818	0.1
71.01368	1.3
73.02930	0.2
78.63181	0.1
85.02946	0.6
101.02413	0.6
108.02148	0.2
113.02419	0.3
121.02917	1.8
122.03685	1.1
123.00854	0.7
123.04491	1.0
124.01659	0.2
125.02393	0.2
126.56275	0.1
131.04993	0.2
135.04552	0.2
136.01656	0.3
136.05301	2.6
137.02432	0.3
137.06041	1.0
143.05009	0.6
145.03033	0.2
146.03757	0.2
147.04507	1.1
149.02396	1.6
149.06046	0.2
150.03214	3.6
151.03981	0.3
153.05588	0.7
156.56520	0.1
158.03664	1.1
159.04506	5.6
160.05287	29.1
161.04727	0.3
161.06052	4.3
162.03189	0.3
163.04005	3.3
164.04782	4.8
168.04308	0.3
173.06068	3.5
174.06885	2.1
175.07631	39.8
176.04790	1.1
177.04012	0.2
177.05560	7.0
178.06345	25.7
184.98259	0.2
191.07201	0.7
192.07924	13.3
193.08685	4.6
284.10675	0.3
298.12225	0.2
299.13089	0.3
314.11554	1.3
329.13950	100.0
432.13016	0.2
491.12018	0.8
491.19189	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	491.2668
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01365	1.0
71.02491	3.5
77.80936	0.8
78.95884	3.9
79.63318	0.8
82.01703	0.8
92.18358	1.3
92.26926	0.8
115.08755	10.8
118.06591	1.8
125.07155	1.5
126.05617	1.3
141.06705	4.8
146.06110	14.4
152.99574	1.9
168.07747	0.9
170.09293	1.8
173.07228	0.9
174.05458	1.0
175.27641	0.8
179.11887	4.6
200.10800	1.6
214.15601	6.4
217.13370	1.3
227.11804	3.8
228.10316	3.8
240.13220	1.1
245.12990	4.6
258.53235	0.9
262.15576	4.4
269.16281	1.5
297.26630	0.9
326.18719	9.2
344.19662	2.1
455.26590	1.0
491.26602	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	491.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10622	0.2
52.10124	0.2
56.02663	0.3
57.03453	0.3
59.01369	3.7
68.09809	0.3
71.01371	3.3
73.02924	0.3
77.48755	0.3
83.01381	0.4
85.02931	0.5
85.82715	0.2
87.00893	0.3
89.02431	4.7
92.19063	0.3
101.02430	4.4
105.55217	0.2
113.02411	2.1
119.03472	1.1
161.04524	1.6
179.05550	0.2
225.03467	0.3
235.08215	1.6
253.09279	12.9
255.23280	100.0
491.31888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61539	0.7
71.99142	1.1
74.00684	18.5
76.91185	0.8
82.31803	0.9
84.04505	1.5
86.31775	0.8
116.01745	100.0
128.03542	4.0
168.92963	0.8
170.06834	1.0
178.01781	41.9
205.64708	1.0
222.56116	0.8
290.09512	0.9
436.26489	1.0
492.20541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2734
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
56.02932	1.6
60.39154	1.7
61.98828	2.2
78.95904	15.3
108.24892	1.8
127.67845	1.8
140.01196	8.7
144.22961	1.9
171.10254	35.1
171.38641	2.2
183.10196	2.9
196.03722	16.0
214.04832	3.2
277.21713	45.2
295.22876	34.5
453.17593	2.1
492.27350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2738
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
52.28670	0.6
59.01370	1.3
61.98822	1.2
63.06385	0.8
63.47414	0.8
65.02566	0.6
68.85239	0.7
69.02373	0.7
78.95903	15.3
85.87016	0.7
88.49504	0.7
90.09703	0.7
93.94035	0.8
102.36831	0.7
103.58963	0.9
113.09704	3.5
131.19514	0.8
140.01186	8.8
152.99590	3.0
179.14481	1.4
195.13908	30.8
196.03778	17.4
202.84091	0.8
214.04929	1.7
277.21738	25.4
295.22812	70.6
339.89618	0.8
492.27356	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	493.114
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
50.41106	0.6
58.76594	0.6
63.90069	0.6
78.28326	0.6
88.89030	0.6
119.04998	1.6
136.43010	0.9
146.52512	0.7
160.01578	0.9
161.02397	1.8
163.03944	1.5
181.86200	0.7
188.83641	0.8
202.02657	1.1
210.12935	0.7
215.77708	0.7
226.02679	6.5
227.03479	5.1
242.02191	3.3
243.02939	1.0
270.01657	22.3
271.02417	15.1
284.03406	1.0
285.04041	50.8
289.57965	0.7
299.01959	91.2
300.02744	72.7
301.03537	6.3
313.03534	100.0
314.04352	38.7
315.05084	34.9
331.19138	1.5
475.10455	1.0
493.11343	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
64.95660	2.1
69.03448	5.2
71.01374	73.2
71.58920	2.1
72.99291	3.1
73.02946	12.8
78.98563	2.7
80.38206	2.9
80.97942	2.5
83.01395	3.1
85.02937	17.8
87.00873	5.1
89.02434	85.9
97.02942	11.6
99.00886	4.9
101.02426	61.0
107.03529	2.4
113.02419	36.1
116.92834	3.7
117.01897	2.9
119.03452	27.2
125.02430	32.0
131.03484	6.1
139.00385	3.8
143.03482	10.4
149.04659	3.6
154.02708	17.4
161.04556	11.1
169.05066	15.3
179.05623	18.1
179.23006	2.9
209.08217	3.8
221.06715	14.4
263.07635	5.6
264.22513	2.5
271.04572	3.0
323.09839	86.8
370.98633	2.8
425.64526	3.0
493.15948	52.7
497.40930	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	494.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73972	0.6
61.72750	0.6
61.98823	1.0
71.99120	1.1
73.10004	0.6
74.00690	19.7
87.36792	0.6
98.00678	1.0
110.62790	0.8
116.01745	100.0
128.03513	4.6
153.90837	0.7
156.05989	0.7
162.02287	1.5
166.56534	0.7
168.97401	0.8
178.01785	47.5
321.46387	0.8
347.17010	0.8
494.22580	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	494.289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72457	1.2
60.22641	0.9
64.42712	0.9
69.12284	0.9
71.13981	1.0
78.95891	12.9
86.60646	1.0
91.16371	0.9
102.92863	1.1
113.09687	1.3
125.54925	1.0
126.11545	1.1
132.39316	1.2
140.01204	8.8
183.13890	91.7
196.03792	16.3
214.04861	2.4
250.04301	1.1
279.23291	12.5
297.24350	65.8
414.73151	1.2
494.28882	100.0
515.23999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80688	1.1
60.89025	1.1
63.21373	1.1
90.97949	1.0
112.07655	1.9
130.08684	4.7
173.87500	1.2
207.15068	2.1
218.04356	1.2
225.16026	9.7
337.26218	1.5
343.29901	1.3
424.40451	1.4
433.31860	9.6
451.32986	100.0
494.33563	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33602	5.3
60.73370	6.2
70.78275	5.3
71.56396	5.5
79.12073	6.1
82.74268	7.0
84.53381	7.2
90.40356	5.7
93.03427	10.1
95.96381	6.2
99.34425	5.5
99.78003	6.2
107.05015	12.1
129.87851	6.6
135.04520	100.0
137.02425	8.8
159.60460	6.3
165.05589	6.3
179.03499	8.3
212.08493	6.9
239.05481	7.5
241.48875	6.6
289.18048	25.8
295.07095	6.9
299.01999	64.9
314.04312	63.2
329.06671	93.4
333.17041	7.7
442.63223	6.5
495.12811	29.7
495.19031	11.7
495.25494	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37997	1.4
53.36919	1.2
59.01370	3.2
63.76664	1.5
66.79067	1.6
79.63986	1.5
84.91422	1.7
107.05030	20.5
134.03754	3.4
135.04503	99.3
136.01717	1.8
151.04005	7.8
165.05539	25.3
191.83575	1.7
285.04010	3.4
299.01941	60.6
313.03467	13.6
314.04327	71.0
328.05814	3.4
329.06641	100.0
471.78098	1.8
495.12961	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	495.151
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
55.46793	1.8
59.01382	4.7
59.08630	1.9
59.73582	1.9
60.88535	2.3
71.01379	9.4
73.27956	2.8
73.51414	1.9
75.29980	2.1
75.72950	2.4
93.03451	23.0
101.02419	5.6
111.19276	2.6
113.02440	4.7
125.02464	3.0
135.04567	2.7
136.01660	4.9
137.02443	100.0
139.00301	3.3
149.02409	5.3
150.03224	39.0
151.03979	9.4
161.02480	3.7
162.03206	2.6
164.04796	4.5
165.05553	50.6
180.04262	3.2
195.04080	2.3
195.06612	5.6
223.14587	2.3
260.37943	2.7
281.06726	51.2
311.43597	2.5
381.00345	2.6
434.31210	2.8
447.13025	79.0
477.13815	18.6
495.14960	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	495.1666
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
50.60948	1.1
60.55585	1.2
80.96577	1.5
100.66499	1.4
116.92843	1.4
121.02977	1.9
122.03667	1.7
123.00879	3.2
136.01622	1.5
137.02452	5.0
137.99559	1.8
138.03186	2.1
151.00389	5.5
153.01921	1.7
162.03299	1.9
165.05557	2.5
170.03668	1.6
193.49767	1.4
213.05606	2.1
229.04991	1.4
236.04686	1.6
240.04347	1.6
241.05058	10.2
252.04343	2.4
253.05029	8.7
255.06514	1.7
256.03677	1.6
256.07410	18.0
257.04611	9.0
259.06174	10.3
267.06552	2.3
268.04486	1.5
268.07355	18.8
269.04575	12.3
271.06210	15.9
271.09097	1.8
272.06915	9.1
283.05673	1.8
284.06955	7.8
285.04062	5.9
285.07620	2.5
286.08420	2.2
296.06906	1.7
298.04971	2.1
298.08414	1.5
299.05551	2.4
313.07150	2.6
314.07925	2.8
329.10425	1.9
402.07144	1.5
405.09702	9.5
415.11502	1.9
417.09790	59.0
420.12262	12.5
432.12146	48.0
435.14484	23.2
447.14505	100.0
465.15497	36.7
477.15628	14.8
495.16644	53.4
495.22919	2.3
495.83759	1.7
511.33347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62822	0.7
51.79749	0.6
54.18652	0.6
57.03455	93.3
59.01386	64.8
66.40186	0.7
71.01386	1.0
75.99787	0.6
83.01379	1.4
85.02943	1.0
99.04517	74.4
101.02441	21.7
113.02471	1.2
125.02444	18.5
143.03517	1.4
161.04521	4.4
207.08742	27.4
249.09804	5.4
256.49008	0.8
351.13010	66.3
382.42593	0.8
393.14063	14.3
495.17264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2597
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
58.50959	1.9
59.01373	25.9
59.46327	1.8
71.01360	5.2
89.02422	4.4
101.02419	11.5
106.04051	2.2
108.29065	2.1
113.18684	2.2
121.02949	12.4
151.00500	2.2
199.37558	2.5
234.31047	2.4
285.14621	2.8
297.18588	2.9
315.19574	4.9
325.29260	2.4
333.20721	39.3
348.53705	2.6
414.96521	2.4
427.05215	2.7
495.25943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33180	0.9
59.01385	16.6
60.29504	0.9
60.32129	0.9
71.01386	3.6
87.16848	1.0
89.02423	5.4
101.02439	6.5
108.23875	1.1
113.02438	1.6
132.88342	1.0
152.99583	1.0
161.04509	2.2
177.37543	1.0
199.17046	100.0
235.08247	2.4
250.35915	0.9
253.09299	17.9
269.00812	1.2
435.26120	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	495.3331
Annotation	26-Hydroxybrassinolide
Peak:m/z	Relative Intensity
59.01385	3.1
63.24383	1.2
71.01381	10.1
74.77081	1.2
87.00868	2.1
95.05030	14.9
97.06578	30.5
99.04543	1.6
113.02445	28.7
117.28329	1.4
120.19963	1.3
123.04524	1.6
125.02441	27.0
130.98770	1.4
137.01682	1.3
141.05589	48.6
154.46146	1.3
179.15358	1.4
185.04550	23.8
281.28418	1.9
309.28040	9.8
318.77206	1.4
435.15497	2.9
495.33325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87442	0.2
71.99149	0.4
73.01169	0.5
74.00695	18.0
78.10848	0.2
84.04548	1.6
98.00694	0.4
116.01756	100.0
117.57845	0.3
118.01360	0.4
126.91324	0.2
128.03545	5.2
178.01799	51.9
180.01242	0.3
349.18506	0.4
352.76151	0.3
496.23615	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	496.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42882	0.2
57.30362	0.2
59.01368	0.2
71.99120	0.4
73.01174	0.3
74.00687	18.5
75.00441	0.2
77.16507	0.2
84.04536	1.1
84.59366	0.2
89.00675	0.3
98.00684	0.9
109.75525	0.2
116.01746	100.0
128.03532	5.1
178.01784	54.1
203.76678	0.2
450.28070	0.2
496.23419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39626	1.1
59.01384	30.4
68.99253	1.0
71.01373	18.6
73.49396	1.1
75.00864	1.2
83.01363	2.0
85.02912	2.8
89.02442	21.3
95.01364	1.2
101.02435	19.7
113.02435	12.0
116.01749	6.3
118.77246	1.2
119.03482	7.0
133.67975	1.4
152.16960	1.4
166.08183	1.3
175.59270	1.2
175.72986	1.2
178.01764	5.1
273.18585	7.8
291.19720	17.0
401.10416	5.4
404.12540	2.3
419.15060	2.9
453.24979	26.3
479.16772	2.2
497.23932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07146	0.8
59.01379	1.3
71.01369	2.5
95.05022	18.4
97.04530	0.9
97.06577	73.3
104.30209	0.9
113.02453	12.7
115.07634	8.3
119.54263	0.9
125.02411	19.9
141.05585	29.8
146.15147	1.1
159.06616	16.4
185.04527	8.8
264.86307	1.0
281.28436	6.6
497.34869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.6
67.36053	0.1
69.26970	0.1
78.95897	5.5
78.96358	0.2
88.94140	0.1
122.98515	0.2
150.67641	0.1
152.99577	2.4
168.04283	2.4
199.17032	100.0
224.06934	7.6
242.07950	1.2
424.24710	66.2
439.20883	0.2
498.28342	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	499.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	83.7
58.97742	1.7
59.01384	85.5
71.01378	3.5
92.19091	4.5
99.04512	100.0
101.02444	14.5
114.37212	1.9
122.90224	1.8
125.02444	38.7
143.03548	3.5
219.29399	2.1
244.92856	2.3
274.08746	2.0
278.20300	1.9
324.83762	2.2
353.12680	3.2
359.52588	2.0
422.64594	2.4
455.15778	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	499.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96176	0.6
51.94507	0.8
51.94809	0.6
57.64293	0.6
59.01379	5.0
61.28347	0.8
64.02458	0.7
71.01338	2.5
71.02515	1.2
73.58695	0.6
74.91199	0.8
82.67189	0.6
83.01399	1.7
89.02435	8.2
97.00425	23.6
101.02433	1.8
113.02417	3.3
113.03556	2.9
114.03082	23.8
119.03490	1.8
139.00356	1.0
140.01031	4.7
157.01433	9.0
157.02592	5.8
157.03654	100.0
179.05496	1.0
228.06140	0.8
341.10849	23.0
388.68954	1.1
445.18192	1.2
481.45245	0.9
499.16983	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	499.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03850	0.3
57.03445	1.5
64.73590	0.3
64.83076	0.3
65.90879	0.3
69.03437	0.5
76.17757	0.3
83.05048	0.3
85.47987	0.3
87.46400	0.4
89.34457	0.3
92.18393	0.6
97.04242	0.3
97.06583	9.5
99.22409	0.3
115.98878	0.3
123.08167	4.4
125.09715	100.0
143.10762	0.5
169.08670	3.7
183.78815	0.3
187.09760	41.6
218.86159	0.3
237.22392	0.4
243.12390	9.2
255.23305	70.3
261.13437	12.7
268.43356	0.4
388.79941	0.3
499.36429	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	500.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61786	0.9
53.36811	0.7
53.75103	0.8
59.01373	13.3
71.01366	7.5
73.02937	17.4
83.01359	3.5
84.57948	0.9
89.02404	2.1
101.02425	16.1
113.02430	2.4
134.02457	8.9
150.05579	2.4
160.03992	8.0
162.01947	100.0
222.04059	11.7
246.04140	1.4
295.10229	1.5
337.11346	6.2
415.17892	1.5
482.56549	1.3
500.14056	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	500.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20035	0.3
53.41824	0.2
55.92019	0.3
69.89794	0.3
71.01371	0.6
71.05023	0.8
79.12430	0.3
88.04027	1.5
92.19006	0.5
93.03444	21.2
119.71588	0.4
128.00876	0.3
137.02432	100.0
146.08220	4.3
165.93903	0.3
177.49327	0.4
195.53279	0.3
201.35143	0.4
218.10242	0.4
406.92773	0.4
500.17825	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	501.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77169	1.0
55.54918	0.8
55.87017	0.9
59.01382	48.5
70.51819	0.9
72.99297	1.3
90.65278	0.8
94.00036	0.9
156.99922	5.3
157.03561	4.0
159.01486	1.8
174.99226	17.2
176.98045	4.6
201.02559	57.2
217.00299	100.0
299.01193	1.2
343.03769	8.5
359.01498	85.4
413.31192	1.1
441.02734	1.3
453.16858	1.1
483.02332	1.3
501.02820	2.4
516.42908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01374	2.6
63.45025	0.3
64.35642	0.3
65.98431	0.3
68.99804	0.6
69.77026	0.3
71.01372	1.4
71.04998	0.7
75.00844	0.3
83.01372	0.8
85.02931	10.9
89.02423	0.7
92.19050	0.7
97.00457	0.4
97.02930	47.8
99.00876	3.3
101.02431	0.6
113.02431	0.8
115.03983	11.7
129.01917	7.4
139.69070	0.4
141.01923	11.4
141.03000	0.4
157.03629	2.2
158.04562	2.1
158.08173	0.5
159.02963	100.0
159.06575	2.1
159.07715	1.3
186.16028	0.4
190.34050	0.3
252.69154	0.4
303.21939	0.3
341.10892	0.8
342.11166	0.4
343.11212	0.4
501.15085	5.2
524.08954	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	501.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05612	0.9
51.63554	0.7
61.98824	1.0
96.19668	1.0
102.68797	0.8
112.96117	0.8
118.71011	0.9
119.05015	39.1
120.51897	1.2
140.04732	1.0
146.49004	1.0
150.04179	0.9
151.41428	0.9
163.04007	46.8
163.05359	1.8
169.70628	1.1
177.42230	0.9
200.92348	0.9
251.07051	1.4
266.09583	5.2
279.06665	23.0
290.05679	2.2
291.06668	23.4
292.07394	10.2
293.08078	1.6
294.08984	13.7
306.08978	22.3
307.06137	93.9
321.07803	4.4
322.08469	33.8
337.10849	100.0
381.94168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68869	0.9
59.01372	4.1
71.01373	3.9
89.02433	4.5
92.18392	1.3
101.02432	2.4
113.02411	4.4
125.02375	0.9
133.02950	5.6
135.04515	24.7
136.38420	1.2
137.02396	1.3
157.44725	1.3
161.02438	94.3
177.05534	4.6
178.25854	0.9
179.03500	45.5
179.07034	1.0
202.98413	1.1
221.04607	9.6
251.05568	4.7
251.48798	1.1
264.44614	1.1
269.04523	1.1
281.06842	8.6
283.06161	8.0
311.05679	11.6
323.07706	5.7
341.06479	3.6
394.36417	1.1
431.09988	9.3
503.14127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1614
Annotation	Gentianose
Peak:m/z	Relative Intensity
57.03445	14.6
57.39749	0.4
59.01098	0.7
59.01373	11.3
63.75468	0.4
71.01364	7.0
71.25606	0.3
73.02915	0.6
78.05731	0.4
79.02962	0.4
80.87952	0.4
80.94139	0.4
85.02911	0.8
87.00862	1.5
89.02423	12.2
99.04495	32.0
101.02418	17.9
113.02417	6.0
117.05553	2.3
119.03487	1.8
128.03519	0.8
131.03474	0.7
143.03476	5.6
147.44630	0.4
159.02872	0.4
159.50766	0.4
160.06139	0.6
161.04529	100.0
179.05551	4.4
221.06635	5.7
252.87895	0.4
334.42633	0.4
341.10861	0.9
342.11298	0.7
503.16144	23.6
528.08490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1615
Annotation	Raffinose
Peak:m/z	Relative Intensity
50.65104	0.7
52.89547	0.5
54.30058	0.6
55.61425	0.6
59.01382	40.7
71.01379	35.6
72.99287	1.2
73.02935	4.0
73.75482	0.6
75.00855	1.0
81.03432	1.0
83.01362	1.0
85.02942	4.7
87.00854	10.8
88.04011	1.3
89.02438	54.7
92.45166	0.7
95.01349	1.7
97.02921	1.4
99.00870	7.9
99.04528	2.8
101.02436	30.7
113.02441	25.1
113.03242	0.9
114.23547	0.7
117.01955	1.2
119.03487	9.7
125.02454	1.5
128.03523	1.4
130.05064	0.8
131.03470	3.7
131.04530	1.1
142.05029	0.9
143.03476	4.7
149.04524	1.3
159.03026	1.5
160.06200	10.7
161.00916	8.3
161.04549	25.0
161.06598	5.4
179.05621	23.0
209.78960	0.7
219.41518	0.7
221.06664	31.3
248.05379	0.8
280.54834	0.8
280.71463	0.8
291.99643	0.8
323.09702	3.5
341.10886	6.7
342.11325	0.9
503.16238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74480	0.3
51.55049	0.2
54.55642	0.2
59.01366	0.4
63.12669	0.3
72.54070	0.3
90.01284	0.3
108.02177	0.5
119.05022	64.5
121.02966	0.5
123.04529	1.9
128.05397	0.3
138.46529	0.3
143.94257	0.3
162.48895	0.3
163.04013	100.0
163.25957	0.3
171.43762	0.3
188.04773	0.5
203.07135	1.6
239.54997	0.3
263.07086	0.6
278.09470	0.7
279.06683	4.7
291.06906	0.4
294.09039	3.1
309.11429	6.0
339.12320	3.6
523.15503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
59.66050	0.5
61.57662	0.4
103.97678	0.4
109.06591	0.6
110.25140	0.4
116.92834	0.6
119.05022	80.4
121.02917	0.5
126.57102	0.5
145.02937	0.9
163.04015	100.0
226.39307	0.4
235.07927	0.5
253.08638	0.6
263.07129	0.7
268.11035	1.5
281.08209	5.9
291.06647	2.1
292.07477	2.3
293.08307	4.9
294.08957	2.8
295.68951	0.5
296.10526	5.5
307.09695	0.6
308.10757	3.7
309.07730	63.5
323.09384	3.0
324.10071	27.8
339.12393	45.5
339.16660	0.6
503.17688	0.6
503.30374	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	503.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77281	1.1
58.96096	1.5
59.01385	51.1
59.40260	1.2
59.49189	1.2
68.62658	1.3
71.01383	40.6
72.74045	1.5
72.99284	1.4
73.02949	2.3
78.95905	1.6
83.01399	3.0
85.02943	7.0
87.00871	2.5
89.02441	47.1
93.26388	1.3
95.01427	1.8
96.08604	1.5
97.02947	2.3
101.02441	38.8
113.02438	20.2
119.03539	22.1
119.04256	2.8
119.05022	69.1
125.02444	17.0
131.03516	6.6
137.02415	1.8
139.04106	1.9
143.03496	5.3
157.79059	1.4
161.04568	6.7
162.02054	1.5
179.03549	5.7
179.05623	13.3
190.02780	2.9
205.05083	10.4
221.06711	9.6
223.06047	2.3
240.88196	1.9
263.07687	2.7
323.09885	100.0
443.15704	10.1
503.17844	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	504.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
91.03776	0.3
93.03437	27.2
95.01774	0.2
96.41531	0.3
100.79105	0.3
129.02141	0.2
134.02448	1.2
137.02428	100.0
162.01939	8.0
165.05534	0.5
366.08200	3.3
504.11057	5.7
519.06958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3093
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
54.53637	0.3
56.60705	0.3
56.78605	0.3
59.01377	0.7
66.52481	0.3
78.95895	12.2
123.51830	0.3
134.20912	0.3
152.99599	2.9
167.01157	0.6
168.04297	4.5
224.06934	8.2
239.89014	0.4
242.07988	1.2
255.23236	4.4
279.23257	100.0
349.36676	0.3
423.25208	3.5
435.24423	0.4
504.30948	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	505.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23093	0.7
55.66401	0.8
57.68034	0.8
57.98064	1.0
59.01379	9.2
61.58821	0.8
64.28616	1.0
66.75730	1.0
71.01371	2.3
72.20264	0.9
89.02442	2.3
96.68090	1.0
113.10033	0.9
116.92803	1.1
119.03471	1.9
120.05380	0.9
121.02956	2.0
137.02431	1.5
166.02664	8.6
181.03545	1.8
181.05063	42.4
239.03595	1.6
240.04280	2.0
241.90619	1.0
259.19980	1.0
267.03000	7.0
268.03775	71.0
282.02173	1.7
282.05319	47.4
283.06122	100.0
303.41711	1.0
320.10779	1.0
323.09811	1.4
324.10214	1.8
325.10553	1.6
329.63748	1.5
445.11417	37.6
469.19437	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	505.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45997	2.4
59.01368	13.7
60.49604	2.2
63.17710	2.4
71.01357	21.4
72.99297	51.7
73.02934	5.3
75.30244	2.8
84.97994	2.9
85.02937	5.9
87.00880	2.7
88.98798	14.9
89.02422	12.7
90.98634	2.9
91.00354	100.0
99.00844	3.4
101.02425	27.0
113.02430	5.9
129.01967	2.9
161.04526	13.4
186.02176	4.2
192.30319	3.0
227.95601	3.2
251.11353	24.9
342.46011	2.9
413.16663	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3021
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01890	0.4
57.03437	0.7
59.01111	0.5
59.01379	8.9
68.99798	0.5
69.03455	0.3
71.01375	7.9
72.99294	2.8
73.02930	1.2
75.00445	0.5
75.00862	10.2
81.83115	0.3
85.02943	13.0
87.00854	3.2
87.21570	0.3
89.02425	2.9
89.03624	0.3
95.01373	3.8
99.00872	6.8
103.00371	1.6
107.91972	0.3
111.00867	0.4
113.02434	13.7
115.00358	1.4
117.01907	2.1
119.03452	0.3
129.01926	1.5
143.27544	0.3
153.54210	0.3
175.02502	1.3
231.04993	0.5
249.06137	7.8
255.23288	97.1
267.07199	0.5
293.63943	0.3
423.25461	0.4
487.29965	0.6
505.30225	100.0
526.37451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16297	1.6
59.01384	13.1
60.00924	1.4
79.95721	7.2
80.96492	3.8
87.30319	1.9
94.67078	2.0
96.96009	10.6
150.41003	1.7
163.06143	2.3
170.34673	1.8
200.74710	1.9
255.23314	3.5
281.24854	100.0
505.30069	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	505.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.93346	1.8
69.20213	1.8
82.72398	1.5
84.55769	1.6
92.18967	2.4
93.03360	1.8
101.19561	1.7
109.23911	1.9
109.82253	2.0
122.56772	2.0
126.41970	1.8
151.07671	1.9
167.01086	2.3
169.05510	1.6
172.31068	1.9
255.23251	20.1
281.24881	26.0
287.24225	2.2
312.52359	1.9
321.70108	1.7
352.09531	2.0
407.29593	27.6
423.25204	9.6
425.30676	37.5
427.32178	19.5
445.33282	94.3
462.94183	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	506.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75571	0.5
56.68793	0.4
59.01367	1.0
61.98817	0.6
65.88694	0.5
67.87469	0.5
82.85201	0.7
106.02972	3.9
108.04536	0.6
124.01649	2.4
134.02473	16.8
138.03191	0.6
139.04019	3.3
160.04079	0.9
162.01942	100.0
173.07231	0.6
205.83501	0.6
242.62321	0.7
376.35394	0.6
506.12869	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	506.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77751	0.9
50.95195	0.9
59.01383	22.6
64.61665	1.0
71.01376	21.9
72.00904	5.7
85.02958	1.6
89.02435	36.1
101.02438	19.4
113.02430	10.7
119.03475	14.0
122.02443	12.1
143.03520	2.0
147.04510	39.2
161.04527	4.5
164.07170	90.2
179.05624	7.0
197.14653	1.3
201.24606	1.2
223.06058	1.3
298.66714	1.5
341.10895	100.0
446.01547	1.3
446.13391	1.4
506.18976	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	506.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.9
67.21894	1.6
78.95904	10.1
140.01205	2.4
144.03612	2.1
196.03854	11.4
214.04997	2.7
281.24835	3.3
282.25159	4.3
309.24435	4.3
309.28018	100.0
314.68787	2.4
332.77850	2.1
362.27057	2.3
506.32593	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	506.3249
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
55.25292	0.2
59.01384	0.3
68.80793	0.2
75.00871	0.3
78.95892	9.8
83.41192	0.2
90.76214	0.2
92.33397	0.3
95.01410	0.2
96.96928	0.3
99.00863	0.3
111.59047	0.3
113.02463	0.7
118.51919	0.3
137.02151	0.2
137.87822	0.2
152.99541	2.5
157.59544	0.2
167.08333	0.2
168.04317	3.8
194.05740	0.2
224.06914	8.1
242.07947	1.7
255.23219	1.6
256.23529	2.2
281.24844	100.0
294.58286	0.2
337.33978	0.2
394.01202	0.2
506.32449	58.6
517.98022	0.2
518.06213	0.2
525.26703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1146
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
59.01374	0.7
70.74329	0.3
83.19097	0.3
114.12534	0.3
125.02393	1.1
151.00357	1.3
168.00613	1.9
234.05394	0.5
241.01436	3.9
242.02197	5.9
243.02948	1.5
258.01715	5.7
269.00934	3.3
270.01700	4.2
271.02390	0.7
272.03339	0.4
272.41138	0.3
273.04056	38.3
286.01196	3.1
287.05634	7.3
291.48679	0.3
301.03549	29.0
315.01462	2.1
315.05096	5.6
316.05914	13.9
329.03046	14.9
330.03897	4.7
344.05377	54.3
345.06210	6.8
507.11423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50628	0.3
52.90237	0.4
54.55553	0.4
130.53702	0.4
169.77966	0.5
200.11589	0.4
230.37137	0.5
235.37173	0.4
313.03967	0.5
323.01810	1.5
324.02713	7.6
336.02628	0.5
337.03433	0.6
338.04315	3.0
339.00961	0.7
339.05066	22.0
353.06616	0.7
403.04483	0.9
415.04654	1.9
419.07773	1.9
431.03912	5.9
432.04834	6.6
445.05701	0.6
446.06451	44.1
447.01205	0.8
447.07227	17.8
447.17490	0.6
459.18076	0.9
461.08804	38.6
477.08231	7.5
491.09818	0.7
492.10544	7.7
507.12949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1514
Annotation	Odontoside
Peak:m/z	Relative Intensity
53.83935	2.3
59.01380	6.0
60.67406	2.3
63.35089	2.0
65.61687	2.6
71.01377	3.6
80.60733	2.8
125.02428	3.0
134.03749	3.3
136.45915	2.7
178.02721	3.6
181.05080	4.2
195.06599	6.7
232.04881	2.8
241.05072	12.8
253.04964	3.5
256.07504	19.2
268.07440	15.5
271.09711	6.0
283.06271	3.6
284.06796	3.2
296.06921	18.6
297.04160	31.6
297.07404	5.3
300.06400	16.0
312.06537	45.7
315.08786	81.8
327.08807	100.0
345.09753	14.7
507.15189	16.1
507.26764	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	507.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01364	1.5
68.06429	0.2
71.01363	0.3
72.99295	0.3
75.00858	13.6
80.57673	0.2
82.89452	0.2
85.02938	1.0
87.00860	4.1
88.21159	0.2
89.02428	1.0
95.45502	0.2
99.00847	2.7
101.02431	0.4
105.01276	0.2
105.01926	4.3
109.95438	0.2
117.01943	0.3
119.03524	0.2
121.04055	0.4
129.01921	5.3
133.30434	0.2
147.01843	0.2
147.02979	4.4
164.03799	0.2
165.04019	100.0
195.46497	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	507.1661
Annotation	3'-Hydroxymethylrocaglate
Peak:m/z	Relative Intensity
56.90514	1.0
59.01374	2.8
59.77015	1.3
79.19560	1.3
83.60356	1.1
92.60479	1.3
115.24391	1.5
117.72585	1.4
119.05019	2.6
143.28819	1.3
151.03976	2.8
163.04036	5.8
205.53264	1.5
211.73685	1.8
229.75233	1.5
242.02121	2.5
256.06659	1.4
272.07043	1.8
287.05606	5.8
449.12521	8.8
474.13049	1.7
475.14395	3.3
477.11816	13.1
491.13382	12.5
492.14230	5.8
507.16629	100.0
507.28250	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	507.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11094	2.1
51.78543	2.0
54.76173	2.6
58.04051	2.1
64.33828	3.0
73.49451	2.5
91.24160	2.2
98.52058	2.4
101.74619	3.0
119.05000	12.6
149.02420	13.6
150.03201	21.2
151.03952	3.6
163.03984	5.8
164.04797	13.7
167.32536	2.7
178.02705	19.5
193.05046	24.4
196.03745	11.3
266.66928	3.0
277.05038	4.3
295.05963	3.6
309.07504	3.8
371.25259	2.9
372.96573	2.7
394.20230	3.0
398.08002	3.9
401.10443	3.6
411.47769	3.1
413.10205	5.9
417.09729	12.0
426.07727	3.4
429.09717	28.1
432.12115	6.4
441.09769	18.5
444.12076	13.4
447.14240	4.0
456.12064	3.8
459.14401	22.5
471.14359	6.1
477.15479	40.2
489.15588	100.0
507.16992	11.1
507.29153	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	508.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.4
57.38056	1.0
58.93966	1.5
59.01381	10.1
61.62185	1.3
71.01378	3.4
73.02927	6.2
89.02422	6.0
99.04480	6.6
101.02429	7.5
113.02428	1.7
113.04208	1.7
116.07142	24.7
119.03469	2.1
123.04514	3.3
140.10783	14.3
161.04503	7.3
184.09766	100.0
364.16107	15.7
406.17188	6.5
431.52390	1.5
490.14178	1.6
508.20349	93.0
522.76495	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	508.3422
Annotation	Daphnioldhanin I
Peak:m/z	Relative Intensity
61.98823	0.5
73.93524	0.3
78.95908	10.3
152.99577	2.6
168.04303	3.8
205.78400	0.3
220.33345	0.3
224.06947	7.3
242.08064	1.9
247.42020	0.4
283.26456	100.0
508.34146	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	508.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21445	1.7
55.01879	10.1
68.72800	1.7
73.72938	1.5
75.04910	1.4
75.26836	1.5
79.95743	1.6
96.04542	33.3
96.05074	2.2
96.95959	2.1
109.06606	2.6
124.07625	2.2
152.07162	69.6
170.08286	7.1
196.06143	69.6
214.07310	3.6
500.66382	1.9
508.36844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1301
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
50.26499	1.1
53.72372	1.3
54.07287	1.4
55.05724	1.7
59.01378	6.7
60.23638	1.5
71.01370	3.1
76.80907	1.5
84.45039	1.3
96.99308	1.6
101.02455	2.6
105.19014	1.5
106.14870	1.8
108.02200	2.0
113.02400	1.8
121.02998	2.1
121.81998	1.7
123.04510	9.3
123.86623	1.5
151.00406	2.5
152.01180	8.1
153.02011	1.5
153.05539	6.6
166.02718	7.7
166.99879	1.9
167.03487	54.7
170.85909	1.5
181.05040	6.7
182.02251	6.6
183.02950	2.6
194.02188	7.1
197.04605	22.1
208.04482	1.7
209.04558	31.7
211.06160	2.5
239.05510	12.5
252.51332	1.6
269.06680	3.9
311.07584	3.8
341.08643	2.8
347.09952	1.8
384.54684	1.7
385.44800	1.5
415.20261	1.9
509.13040	100.0
509.23889	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	509.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	76.1
57.68524	0.8
59.01387	59.4
60.01715	0.7
71.01364	4.0
73.02939	1.7
82.85902	0.9
83.01385	1.6
87.82890	0.9
89.02415	4.2
89.42632	0.8
90.91956	0.9
99.04514	60.4
101.02432	22.5
106.99330	1.0
113.02454	4.0
116.07154	4.1
116.92806	2.1
119.03473	0.9
119.66924	0.9
125.02443	15.4
134.03720	1.1
137.97791	1.1
143.03548	1.4
151.03978	5.4
159.02852	1.0
161.04509	5.0
165.46579	0.9
175.04015	8.3
184.09795	12.3
185.10161	7.0
193.05101	4.1
195.41399	1.0
195.80469	1.0
221.10327	22.4
263.11334	5.8
303.14471	1.2
320.32129	1.0
365.14502	56.9
407.15442	10.6
411.61905	1.0
428.88513	0.9
473.16708	8.7
509.18909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61430	0.2
56.44881	0.2
59.88873	0.2
76.80690	0.2
78.95899	32.6
79.95757	0.4
81.62631	0.2
85.80259	0.2
96.96004	49.8
96.96950	100.0
98.55228	0.2
188.30154	0.2
232.31429	0.2
427.69345	0.2
436.88678	0.2
511.14383	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	511.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03192	4.5
57.03448	70.6
59.01374	65.9
62.12617	2.7
71.01395	3.7
80.16464	2.9
89.02425	3.4
99.04492	62.8
101.02423	22.8
113.02392	4.2
116.04974	3.4
125.02396	26.4
152.29485	3.0
161.04533	4.9
203.08278	5.6
203.85756	2.7
223.08182	31.0
265.09213	15.6
269.68051	2.7
347.25998	3.0
367.12399	76.5
383.43127	3.2
409.13745	6.3
429.11481	3.4
467.16061	3.1
511.16516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46236	0.5
59.01382	1.0
62.76660	0.5
67.47688	0.5
70.40978	0.5
90.91030	0.6
91.22317	0.5
98.21581	0.5
107.05026	1.2
117.91575	0.5
119.05018	100.0
135.04552	8.3
136.01726	0.8
151.04007	2.1
163.04008	55.5
165.05603	0.7
177.03439	1.0
300.06430	1.0
312.06638	0.7
315.08679	2.6
327.08670	0.9
345.10065	0.7
347.18552	0.8
363.11020	0.7
436.38126	0.7
463.13928	0.8
511.15671	3.7
511.24985	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	512.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
71.99139	0.5
74.00696	16.9
78.45020	0.4
79.90495	0.3
84.04557	0.6
98.00679	0.5
109.56292	0.3
116.01752	100.0
128.03526	5.2
139.43559	0.3
161.62830	0.3
178.01801	52.1
199.62741	0.4
246.14632	0.3
314.74609	0.4
399.27438	0.4
512.22443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53623	0.3
53.69942	0.4
58.70860	0.4
59.01371	0.6
71.01369	0.6
75.24303	0.4
101.02428	0.5
108.02146	3.3
111.00855	0.7
122.03723	1.8
123.00861	21.0
123.04495	2.5
124.01637	12.9
135.21594	0.4
136.01639	6.7
149.02444	0.7
150.03204	21.2
151.03949	0.5
153.84946	0.4
163.03958	1.0
164.04788	1.8
165.05544	35.9
180.04242	3.2
193.05119	0.4
195.06610	13.2
272.06885	20.5
273.07617	0.4
287.09244	100.0
289.27103	0.4
317.10202	4.1
317.25287	0.5
435.14578	1.8
483.16745	8.3
513.26831	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	513.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75939	2.5
54.04450	1.8
57.03463	17.9
59.01384	25.8
71.01375	19.1
71.78809	2.2
73.02939	10.6
75.00853	3.8
83.01373	2.4
85.02930	19.3
89.02430	12.7
96.96030	5.2
99.00885	4.6
99.04530	15.7
101.02442	40.4
101.50195	2.1
113.02435	12.6
125.02446	5.7
143.03566	3.8
149.74570	2.5
161.04558	11.0
181.48381	2.4
184.07065	2.0
189.07686	5.8
207.08757	20.3
229.67401	2.4
322.85608	2.9
351.13058	3.6
369.13968	34.3
411.15036	11.9
513.18201	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	513.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55576	4.5
57.03445	95.6
58.86354	4.6
59.01383	92.5
71.01380	40.3
73.02940	34.0
81.53857	5.8
83.01375	7.0
89.02459	32.7
99.04506	95.6
101.02464	71.8
111.00871	5.0
113.02450	28.7
116.15057	6.0
119.03493	8.3
123.04514	6.9
125.02410	32.1
131.03427	7.3
137.09721	10.7
137.47308	5.5
156.16333	6.0
161.04565	20.5
174.08028	5.9
217.92719	6.0
307.19055	8.4
323.09836	23.0
453.23395	12.4
513.23346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
62.46794	0.2
68.79559	0.3
71.01382	2.7
73.02936	0.5
85.02974	0.6
88.85252	0.3
89.02462	3.0
101.02435	3.9
103.50353	0.3
113.02447	1.7
119.03525	0.5
121.58344	0.3
150.06464	0.3
161.04544	1.3
182.81485	0.3
191.54207	0.3
235.08203	1.5
253.09306	11.3
256.22073	0.3
259.20804	0.4
262.43149	0.3
275.20398	0.6
277.21738	100.0
280.13034	0.3
286.27551	0.3
513.30719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93543	0.5
56.11699	0.4
58.93002	0.5
59.01379	6.0
67.05551	1.0
71.01371	1.2
72.99308	1.0
73.02938	0.6
77.64539	0.6
85.02934	6.5
85.06564	6.6
87.00851	2.7
89.02437	3.7
93.03439	1.1
96.99280	0.9
99.00887	0.9
99.04502	3.8
101.02445	1.0
101.06083	0.7
111.00861	15.6
111.04504	20.7
112.98812	1.1
113.02419	3.3
129.01924	2.7
129.05568	23.8
131.08221	3.6
143.03453	4.1
154.99855	0.7
155.03496	12.9
172.06155	2.4
173.01048	6.8
173.04530	100.0
173.08078	2.4
173.09192	1.7
173.10561	4.2
173.92377	0.6
224.02975	0.5
341.10779	6.1
348.38348	0.6
365.23419	0.6
444.26852	0.5
515.16058	2.6
522.23657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88153	2.9
56.85849	3.0
59.01378	4.4
68.85201	3.5
73.53738	3.4
74.58323	3.5
75.75645	4.3
92.18378	4.5
96.96008	3.7
134.03688	5.3
136.01659	22.7
149.02466	6.0
150.03209	74.0
151.03943	29.2
165.05550	100.0
175.04025	19.3
180.04297	5.2
195.06647	48.0
218.19797	4.3
227.66667	4.2
241.05063	30.4
243.38283	4.1
256.07385	52.4
271.09732	70.8
280.50461	4.0
282.01627	4.0
319.11838	17.6
333.77963	4.4
354.66119	4.1
427.16284	8.2
467.16876	16.8
515.18756	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	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81500	0.4
59.01374	2.8
64.96915	0.7
68.49131	0.5
71.01368	2.5
81.78441	0.5
89.02422	2.6
101.02417	3.3
113.02430	1.2
113.95792	0.5
138.42514	0.5
161.04503	0.7
228.89330	0.6
235.08287	0.9
248.79836	0.5
253.09235	9.9
279.23257	100.0
296.81625	0.6
515.32379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74482	2.6
58.54451	2.9
59.01369	5.5
70.02979	19.0
70.81219	3.1
83.82872	3.4
87.05630	4.2
88.58041	3.6
100.37347	3.4
128.07178	18.9
129.40915	3.5
130.03322	14.8
141.09261	7.4
146.08243	100.0
147.05977	5.6
157.08696	3.8
179.88052	3.3
209.33141	3.4
217.12007	25.2
254.24985	14.0
255.23303	91.5
259.11316	19.0
277.12308	100.0
385.29404	4.0
435.99313	4.6
500.31647	7.3
515.35162	46.5
544.09082	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	517.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61701	3.6
51.10411	3.9
59.01375	5.0
73.52121	3.6
73.65519	3.8
77.88536	3.6
78.15157	4.1
79.17845	3.9
119.04993	33.6
122.32828	4.0
130.49275	3.9
145.99158	4.0
153.21246	4.1
163.04012	39.0
180.63974	4.3
210.61275	4.2
222.99295	4.3
237.09218	4.8
251.07118	7.7
263.07123	8.1
266.09387	4.5
278.05878	8.9
279.06616	88.6
293.08252	31.5
294.09109	43.3
309.11331	16.4
353.10245	100.0
376.88251	5.5
434.09409	4.8
476.38669	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	517.1558
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
50.69699	0.4
52.47042	0.5
59.01371	5.8
60.29922	0.5
70.48325	0.5
71.01366	5.2
73.02938	1.2
74.82955	0.5
79.51275	0.5
85.02914	1.2
86.28031	0.5
87.00845	3.2
88.44601	0.5
89.02426	6.4
90.64186	0.6
91.20930	0.5
101.02420	3.5
113.02430	4.2
117.03431	2.1
119.03474	0.6
132.02162	2.3
134.03719	39.1
140.21208	0.5
149.06091	7.9
154.81380	0.5
160.00327	1.1
160.01642	25.4
175.03981	75.3
176.04785	2.4
178.02725	3.5
191.07118	8.2
193.05037	50.0
207.06676	2.2
217.04825	0.6
220.70247	0.5
235.06076	15.1
265.07111	2.7
295.08212	4.0
337.09244	3.0
355.10190	3.5
517.15594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52673	0.7
54.60407	0.7
57.03441	1.4
58.02974	0.9
59.01085	0.8
59.01383	24.0
64.03687	1.0
64.99809	0.8
67.67425	0.8
71.01377	8.8
73.02941	21.6
75.00859	1.9
85.02946	5.2
89.02444	12.0
97.02929	1.0
101.02434	8.1
102.01966	3.7
102.45542	0.8
103.00421	1.3
103.01488	14.3
103.04002	100.0
103.63057	0.8
113.02415	4.7
119.03498	4.4
138.92320	1.0
161.04567	1.6
179.05602	1.0
208.31441	0.8
262.47629	0.9
265.09268	16.1
287.41837	0.9
413.16650	16.2
457.12897	6.2
457.19339	3.3
517.14630	1.2
517.21777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.3
70.87899	1.1
70.98652	1.1
96.55885	1.3
101.02433	1.9
115.88229	1.3
125.23300	1.3
253.09271	10.7
281.24829	100.0
330.80719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40803	1.6
56.46119	1.7
59.01384	3.6
105.92677	1.8
116.92860	19.5
119.05026	96.1
145.02971	9.7
162.03236	98.9
163.04030	81.9
177.05585	100.0
388.20566	1.8
401.97250	1.8
519.16711	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23512	0.7
59.01376	4.0
66.02871	0.6
76.02428	0.9
112.11112	0.7
117.03477	1.8
118.04218	3.4
118.49342	0.7
119.05009	66.9
121.02953	1.7
123.04486	1.1
129.54593	0.7
134.03767	0.9
139.03972	1.1
145.02907	3.1
146.03716	4.2
159.04498	4.5
161.06062	0.9
162.03168	5.4
163.03998	100.0
164.04814	3.0
164.30156	0.8
175.03979	4.9
177.05597	1.3
178.22662	0.7
179.07205	5.3
193.30899	0.7
199.04063	1.0
331.64410	0.8
339.08664	8.1
346.62775	0.8
355.11823	4.6
424.89447	1.0
459.31345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01421	1.6
59.01379	9.7
61.75331	1.8
71.01376	4.3
75.00864	1.7
76.18533	2.0
84.86806	1.8
89.02426	8.9
92.33859	2.2
101.02405	3.1
113.02447	2.1
119.03473	3.8
133.02943	3.3
134.03717	15.5
147.04488	2.6
149.02423	21.7
149.06050	3.3
160.01649	12.3
164.04776	72.4
164.06123	3.4
167.03485	3.9
175.00208	2.6
175.04015	39.3
179.07147	10.8
185.12263	2.3
190.02698	4.1
191.07176	3.4
193.05046	27.8
205.05083	7.6
208.03815	4.4
223.06102	100.0
235.06024	13.5
295.10291	3.7
334.34686	1.9
519.17181	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	519.1875
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01388	4.4
63.71487	0.5
71.01376	3.8
85.02962	0.6
89.02444	4.3
92.18963	0.6
95.43616	0.5
101.02448	2.2
103.53911	0.5
110.00018	0.5
113.02456	1.2
116.92854	0.6
119.03505	1.2
122.03712	2.4
123.04501	0.7
136.01654	22.1
151.04002	100.0
160.05328	0.5
161.04555	2.4
175.07619	2.5
177.01801	0.7
177.05600	0.7
179.05705	1.0
254.98230	0.6
339.12329	0.8
342.11172	6.2
357.13452	87.3
417.18674	0.6
501.17484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2605
Annotation	Striatin B
Peak:m/z	Relative Intensity
56.03208	0.6
57.38368	0.6
58.85489	0.6
58.95518	0.6
59.01385	100.0
65.74734	0.7
68.62530	0.6
71.01379	4.2
73.02949	1.4
78.30118	0.6
79.98165	0.6
85.02946	1.6
94.84881	0.7
101.02448	4.2
113.02464	1.4
119.04983	1.6
130.84848	0.8
133.49582	0.7
163.04047	4.4
195.59770	0.7
345.52090	0.8
355.14578	1.1
453.36884	0.7
477.25018	3.6
519.16772	1.3
519.24896	1.5
522.96503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44246	0.7
58.89229	0.5
59.01375	44.0
69.51357	0.6
71.01368	22.2
85.02937	2.8
87.00858	1.3
89.01863	1.1
89.02427	33.4
94.98163	0.6
95.01385	0.7
101.02429	15.0
113.02422	12.2
119.03473	13.6
131.03481	0.8
143.03484	3.0
149.04579	0.6
161.04510	2.8
169.12318	100.0
179.05591	12.5
187.13336	5.1
223.27448	0.6
247.66797	0.6
255.23213	1.6
262.58417	0.7
289.69611	0.6
339.25458	4.4
349.18649	21.5
423.25040	0.9
465.64822	0.8
519.31708	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	519.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09209	0.4
56.33647	0.4
56.35483	0.4
59.01381	4.9
63.77154	0.4
71.01369	1.1
73.02959	0.5
74.07056	0.5
78.61045	0.5
83.01467	0.5
85.02911	0.7
89.02432	3.5
101.02437	4.1
104.05425	0.4
113.02444	2.6
119.03554	0.6
161.04529	1.1
164.83778	0.5
235.08217	2.2
253.09282	11.9
268.31631	0.6
283.26425	100.0
488.75168	0.6
533.06494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78322	1.4
58.02982	1.6
59.01369	1.8
59.21087	1.5
61.79996	1.4
69.72625	1.3
85.02943	2.0
90.61975	1.4
96.27253	1.8
102.01962	2.1
102.94647	1.5
106.03009	1.5
108.02162	28.9
109.02933	35.6
113.02349	1.5
117.82442	1.7
120.01242	2.6
134.02448	9.2
152.01144	81.4
153.01920	36.2
158.04216	1.4
160.03999	7.2
162.01958	54.9
197.23933	1.8
231.52481	1.8
244.86290	1.9
315.07227	9.0
357.08383	19.6
514.45001	1.6
520.10974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32447	3.8
59.01382	18.8
65.13669	3.5
66.26121	3.5
82.75812	4.2
84.54036	3.8
110.36282	4.4
119.05002	9.5
163.04022	5.8
183.85768	4.6
240.96916	4.5
287.05630	6.9
321.71640	4.8
397.67429	4.9
401.61963	4.8
417.09613	9.2
431.11392	23.5
446.13593	9.9
447.14447	9.8
477.15787	21.8
521.14343	100.0
521.30878	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	521.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
63.96238	2.7
64.15366	0.8
71.01371	1.6
72.99303	1.1
75.00852	13.3
76.11962	0.6
76.97015	0.9
79.95727	1.7
80.96496	1.4
89.02430	10.8
90.98565	0.8
91.06696	0.7
99.00886	1.3
101.02427	2.8
113.02411	4.9
115.03987	0.9
119.04952	0.7
135.04845	5.6
143.03432	3.5
161.04521	6.0
179.00240	9.1
179.03873	10.3
179.05574	100.0
195.05011	0.8
274.97882	0.7
306.41519	0.7
339.81949	0.7
341.10837	2.9
521.15112	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	521.1817
Annotation	(-)-7-Hydroxylariciresinol 9'-p-coumarate
Peak:m/z	Relative Intensity
55.23829	1.2
59.01380	7.6
70.13940	1.2
94.45717	1.2
107.05032	16.6
117.03448	6.1
118.04250	8.6
119.05012	42.3
121.02954	8.3
123.04536	3.3
134.03728	2.7
135.04520	100.0
162.03249	9.0
163.04005	57.7
165.05563	16.1
166.02757	2.0
177.05638	1.9
178.55666	1.3
181.05093	2.0
189.94479	1.5
249.25053	1.4
326.86160	1.3
339.08646	1.5
352.48544	1.4
352.78119	1.5
369.09879	2.2
456.95184	1.4
473.16144	6.7
503.17529	2.1
521.18610	27.8
521.26147	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	521.1814
Annotation	(-)-7-Hydroxylariciresinol 9'-p-coumarate
Peak:m/z	Relative Intensity
54.82593	3.2
56.45545	3.3
59.01373	29.9
63.06400	3.4
117.03481	9.3
118.04190	5.4
119.05003	49.3
121.02970	16.2
123.04466	3.8
124.16016	3.9
128.59273	4.3
134.03795	4.3
149.02458	8.2
150.03181	65.8
163.03983	100.0
163.90048	4.3
165.05524	80.4
176.79489	4.1
177.56674	4.6
195.06647	24.8
224.46567	3.8
320.93942	4.3
339.93878	4.1
404.64175	4.9
473.16144	31.1
521.18042	44.7
521.25696	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	521.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63953	1.3
54.35089	1.2
64.80905	1.1
78.96445	1.1
88.92877	1.2
107.05058	13.8
112.76004	1.3
123.04401	1.5
134.03731	7.3
135.04533	100.0
162.03218	1.6
163.50510	1.4
165.05559	28.0
175.04030	5.1
177.05542	1.6
190.06345	7.1
198.15125	1.3
222.05367	6.1
259.36127	1.4
266.09729	1.5
279.06567	2.1
291.06708	7.3
293.08362	2.2
295.06216	11.8
306.08942	5.3
307.06201	25.8
307.09448	2.7
309.07733	1.9
310.08429	14.6
321.07666	1.8
322.08414	11.1
325.10803	19.6
337.10876	46.2
399.12073	1.8
428.12567	5.3
442.93466	1.4
443.14890	5.6
455.15109	2.1
473.16040	10.4
491.17236	2.2
520.89417	1.5
521.18286	30.9
521.25616	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1817
Annotation	(-)-7-Hydroxylariciresinol 9'-p-coumarate
Peak:m/z	Relative Intensity
50.88226	0.4
55.72186	0.4
57.28664	0.5
58.68926	0.4
59.01369	0.8
66.87447	0.5
80.94886	0.5
95.28033	0.6
96.07613	0.5
104.05775	0.5
109.04569	0.6
113.92464	0.6
116.92835	15.1
117.01933	0.9
117.03436	1.3
119.05005	100.0
120.41364	0.6
121.02958	1.0
145.02933	12.5
146.03723	9.1
161.06064	5.8
162.03210	2.1
163.03992	77.6
164.04755	6.2
165.70097	0.5
177.05443	0.7
179.07124	9.4
262.51563	0.6
271.09839	0.7
341.10309	3.0
438.74704	0.6
521.18207	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	521.2035
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01385	0.3
60.21571	0.2
61.07125	0.2
71.01377	1.5
73.02938	0.2
77.31215	0.2
83.01423	0.2
85.02953	0.9
87.75485	0.2
91.28889	0.2
99.00882	0.3
101.02437	0.9
109.78829	0.2
113.02452	0.9
114.38615	0.2
117.79102	0.2
121.02944	0.9
122.03738	0.4
123.00891	0.4
123.04552	0.8
136.05319	2.1
137.06076	0.8
146.03735	0.2
147.04578	0.4
149.02425	1.4
150.03215	2.7
151.04048	0.3
153.05521	0.2
158.03712	0.2
159.04501	2.7
160.05296	15.6
161.04568	1.9
161.06096	2.1
163.03995	2.5
164.04796	3.8
173.06128	1.9
174.06850	1.2
175.07651	32.7
176.04745	0.3
177.05582	5.1
178.06364	18.6
191.07239	0.4
192.07950	12.7
193.08720	4.4
203.60709	0.2
299.12854	0.4
314.11700	1.6
329.13989	100.0
359.15054	19.5
491.19406	0.4
521.20508	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	522.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83124	0.3
59.01383	24.5
71.01379	20.5
72.00900	3.5
73.02930	0.3
81.88562	0.3
83.01361	0.5
85.02943	0.9
87.00864	1.5
89.02438	40.9
93.03442	3.7
94.44508	0.3
95.01389	0.6
99.95644	0.4
101.02438	15.0
101.59414	0.4
103.31969	0.4
113.02438	11.6
119.03490	14.7
119.04988	8.0
131.03494	2.4
143.03479	2.2
149.04539	0.6
161.04553	2.9
163.04004	15.6
179.05600	7.3
180.06668	73.5
295.52359	0.4
307.16467	0.4
316.89246	0.4
341.10898	100.0
522.18506	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	522.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.5
59.94767	0.9
60.16151	1.0
61.98827	2.1
64.04610	1.1
75.11013	1.0
78.95896	10.4
92.18301	1.7
92.18836	2.6
100.90587	1.1
121.18134	1.4
152.99554	2.6
168.04298	2.6
199.41220	1.1
205.15892	1.7
223.17021	100.0
224.06923	11.7
365.13934	1.3
402.39041	1.3
447.04358	1.5
448.24704	89.8
522.27692	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47811	0.4
51.80802	0.4
59.01384	0.6
68.99838	2.3
74.66684	0.4
108.02161	3.9
111.20480	0.4
119.05021	2.1
123.04501	5.4
124.32213	0.6
136.01683	0.9
148.01671	0.5
150.03256	2.2
151.04033	0.9
161.02406	0.7
163.04039	1.8
177.05637	0.6
178.02689	8.8
193.05042	8.5
227.03664	0.7
270.01743	0.6
271.02554	2.2
285.04053	5.7
299.01971	47.6
313.03525	18.0
314.04337	97.3
320.73224	0.5
327.05304	2.0
328.05923	11.8
329.06677	100.0
333.16785	0.6
350.51517	0.5
381.06149	1.1
398.19519	0.7
399.06940	1.7
505.11313	3.6
523.12378	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	523.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30740	0.7
59.01376	5.3
59.70623	0.7
65.17274	0.7
66.04514	0.9
74.76315	1.0
75.01714	0.8
83.02750	0.8
119.05013	100.0
145.02945	1.9
149.02435	1.1
151.00371	1.8
163.04004	91.4
164.04787	13.9
166.02724	17.7
179.07143	8.8
181.05061	19.6
190.02756	2.0
199.36360	1.1
205.04913	1.1
274.29874	1.1
301.06955	0.9
313.07217	1.7
314.04398	1.2
329.06668	2.2
359.11398	11.4
432.33371	0.9
474.67886	1.0
523.16290	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1613
Annotation	Thielavin H
Peak:m/z	Relative Intensity
59.01379	1.2
68.99802	4.7
81.04061	0.9
108.02187	10.7
109.02975	1.2
112.70041	1.1
123.00832	2.0
123.04512	12.0
136.01660	1.3
147.72310	0.9
150.03239	7.7
151.04019	2.4
153.05666	1.4
163.03979	4.5
164.04613	1.0
175.11243	1.1
177.01894	1.3
177.05550	8.9
178.02734	27.3
192.04126	1.0
193.05048	27.4
196.03770	1.5
198.43758	1.0
228.06137	1.0
268.07358	1.4
269.04620	1.6
280.07315	9.4
281.04639	13.1
281.07715	1.8
283.06015	6.1
284.06976	12.9
296.06924	20.9
298.08417	5.0
299.09244	19.8
311.09293	12.1
317.17438	1.3
463.14078	1.7
493.15271	1.5
523.16150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15932	0.6
56.96507	0.6
57.03449	86.5
59.01090	2.0
59.01381	58.4
59.50883	0.7
71.01375	3.4
73.02937	1.1
76.50794	0.7
81.03442	0.8
83.01381	1.6
85.02934	1.2
94.33902	0.7
99.04508	63.9
101.01817	1.2
101.02428	20.2
111.75686	0.7
113.02421	1.2
125.02425	19.1
143.03531	0.9
161.04567	6.0
199.98077	0.8
235.11879	22.5
277.12982	6.1
363.50464	0.9
379.16107	63.8
395.06189	0.8
421.17166	15.0
461.20306	1.3
523.20300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2182
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.82056	0.4
56.92937	0.4
59.01366	1.0
94.70914	0.5
101.02458	0.7
109.02943	2.2
116.92870	0.5
117.58403	0.5
121.02940	2.6
122.03711	8.9
123.04457	0.8
134.03693	0.6
135.04504	1.1
137.02415	2.0
151.04002	0.5
165.05531	21.0
177.05507	0.9
179.03499	0.5
179.07112	5.9
193.05054	0.8
208.03767	0.9
223.09734	0.6
223.20247	0.6
313.14410	1.1
315.12384	2.2
325.61194	0.6
346.14145	15.0
346.17664	0.5
361.16541	100.0
387.19247	0.5
523.14844	2.0
523.21887	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	523.3642
Annotation	Concentricol B
Peak:m/z	Relative Intensity
50.92155	1.7
56.52605	1.9
61.86471	1.9
63.67727	2.1
65.85513	2.0
97.06551	9.5
105.97025	2.4
107.45618	2.1
107.55936	2.3
124.30744	2.2
125.09718	100.0
145.71861	2.1
169.08739	3.0
187.09772	46.0
243.12367	12.6
261.13409	19.3
279.23294	70.6
393.10226	2.3
523.36505	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
59.01384	12.4
62.12568	1.4
62.35950	1.7
71.01370	36.4
73.02924	2.7
87.24541	1.5
88.09090	1.7
89.02425	6.4
92.18384	2.0
99.04532	2.1
101.02412	8.1
113.02439	3.5
119.03506	2.6
134.51593	1.8
139.85263	1.9
146.08228	90.4
161.04562	3.3
175.68446	1.6
200.09265	4.1
201.33713	1.9
218.10321	2.4
290.12317	3.3
308.13431	20.7
362.14706	2.9
380.15613	74.9
422.16660	13.5
448.13171	1.7
524.19843	100.0
543.55646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13518	0.3
59.01383	14.8
61.98815	0.4
78.95903	6.9
89.99358	0.3
97.74192	0.3
102.18310	0.3
125.22763	0.3
152.99571	2.2
168.04294	3.2
207.17531	0.7
224.06924	8.8
225.18599	100.0
242.07980	1.9
271.15411	0.4
293.89362	0.4
450.26266	69.0
524.30096	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1405
Annotation	Salcolin B
Peak:m/z	Relative Intensity
60.82303	0.4
62.96341	0.4
70.86988	0.3
96.28121	0.4
112.61941	0.3
122.03735	2.1
122.31190	0.4
133.02959	0.4
149.02440	3.4
149.78455	0.4
150.03221	46.4
153.33107	0.4
163.29846	0.4
164.04854	2.4
165.05563	58.1
180.04282	5.2
195.06635	24.5
227.03395	0.5
271.02487	3.6
282.05325	0.7
285.04047	5.2
299.01974	55.7
313.03592	16.4
314.04352	59.7
327.05154	1.7
328.05927	4.0
329.06693	100.0
525.14093	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	525.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73537	0.6
55.88402	0.5
58.00589	2.3
58.04380	0.5
59.01373	2.0
60.51997	0.5
60.57708	0.4
71.01369	6.5
72.99294	3.2
73.02923	0.9
81.03462	0.9
83.01408	0.9
85.02921	2.1
87.00872	3.4
94.03741	0.6
95.01345	0.6
96.99307	0.7
98.19876	0.6
99.00871	0.6
101.02420	5.3
107.01362	0.7
108.02164	4.6
109.02943	2.2
111.00849	0.7
113.02430	4.0
120.05949	0.6
121.02948	0.6
122.03739	1.1
122.50190	0.6
123.00858	0.9
123.04513	17.9
125.02467	0.7
137.06189	0.6
145.02969	5.9
146.03705	0.7
147.04498	2.5
149.02420	15.4
150.03206	45.5
151.00339	6.7
151.03960	6.5
152.01129	11.9
153.01932	4.4
161.02452	2.2
162.03214	8.1
163.04010	2.7
164.04771	14.1
165.05548	50.4
166.02718	6.1
167.03479	79.9
177.05550	2.3
179.03502	2.4
179.07094	1.1
180.04285	3.5
181.05063	2.8
189.40434	0.7
193.05135	0.7
194.05893	0.7
195.03000	2.2
195.06599	18.1
207.02969	0.8
207.06508	0.7
209.04596	2.8
221.04532	0.9
230.78305	0.5
239.05600	0.8
251.05632	0.7
296.05325	7.9
297.06088	1.0
311.07730	60.9
344.31482	0.5
354.60812	0.6
477.14026	100.0
480.60086	0.6
489.14017	2.3
507.15082	17.3
525.16217	15.8
525.23682	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	525.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45448	0.6
58.61069	0.6
59.01375	1.8
60.13929	0.6
70.05048	0.6
70.65168	0.7
111.05366	0.7
120.01353	0.7
121.02947	1.1
122.03728	3.8
133.02963	1.5
136.01546	1.1
149.02446	8.5
150.03221	70.0
151.03986	2.6
161.02498	0.8
163.40942	0.8
164.04808	7.2
165.05559	100.0
168.43912	0.7
180.04269	8.0
195.06635	40.7
196.03792	1.1
218.78090	0.7
247.32036	0.9
253.05109	3.4
265.05011	3.3
266.05780	3.1
267.06656	1.5
268.07431	4.8
269.04520	9.9
280.07355	6.8
281.04565	23.8
281.07770	1.2
283.06168	3.6
284.06915	19.8
285.07800	0.9
294.44382	0.7
294.63611	0.7
295.06158	1.2
296.06921	16.3
298.08582	1.2
299.09256	29.0
311.09290	44.9
360.14359	0.7
417.09775	0.9
426.06195	0.8
432.12158	0.8
447.14536	4.3
477.15530	7.9
495.16699	1.5
513.33746	0.9
525.17755	29.9
525.24750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99386	2.8
57.03198	4.7
57.03454	63.1
59.01384	70.4
63.83952	2.8
71.01377	6.2
73.02921	2.8
81.77595	2.7
85.02972	5.8
89.02434	3.3
92.18316	5.1
99.04515	54.0
101.02459	27.8
113.02443	5.9
114.63015	2.9
125.02457	25.0
137.73007	3.6
161.04532	17.2
165.05652	3.6
181.90355	3.2
214.77553	3.3
237.09804	20.5
279.10858	7.2
381.14026	63.3
423.15079	16.0
463.19623	5.3
525.18237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28216	2.2
55.23584	2.4
87.00927	3.1
97.06577	3.4
125.09717	100.0
147.14757	2.9
187.09758	49.7
243.12514	5.1
261.13446	14.0
266.71649	3.3
281.24863	75.4
312.59698	3.1
525.38007	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	527.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42125	0.2
62.46283	0.2
67.02789	0.2
69.03442	0.3
71.58760	0.2
78.95898	11.5
83.80626	0.2
86.83490	0.2
110.98525	45.0
152.99576	3.9
184.00186	0.5
185.02209	100.0
296.53967	0.2
432.11334	0.2
527.13501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66089	1.4
57.03443	7.9
59.01380	100.0
62.11877	1.4
71.01376	19.6
72.65628	1.3
72.99335	2.0
73.02942	10.7
75.57721	1.4
81.57439	1.5
83.01395	3.4
85.02945	9.7
87.00893	6.1
89.02439	13.2
99.04525	6.8
101.02438	26.1
113.02430	14.9
119.03474	3.5
125.02419	6.4
143.03477	6.4
147.04457	1.6
161.04582	14.5
171.99844	1.4
179.05563	2.1
192.14900	1.5
221.10367	5.8
341.10913	14.2
347.88705	1.7
374.34363	1.8
383.11636	31.1
383.15643	5.6
409.13187	2.5
425.12949	57.2
467.14160	5.5
467.21411	6.0
527.19806	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	527.2997
Annotation	Milbemectin
Peak:m/z	Relative Intensity
53.06069	21.7
57.05406	20.0
60.07884	20.2
61.98837	20.2
64.25540	18.4
77.49236	20.2
87.99056	24.6
91.33890	21.8
93.66331	20.8
101.47915	22.8
112.71961	19.5
114.19936	18.7
121.20160	20.0
150.89781	22.2
201.35780	21.3
233.60545	27.5
270.02167	20.6
527.30255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.8
72.68452	1.2
72.99287	1.4
75.00868	100.0
79.80939	1.2
84.97530	1.1
101.02394	2.3
112.07707	1.9
118.58439	1.2
135.87402	1.2
159.40016	1.3
166.35834	1.5
166.78352	1.3
193.44017	1.2
228.47789	1.2
257.01566	1.4
332.98975	1.3
389.50955	1.3
431.30038	1.4
451.32693	1.5
467.32196	7.3
515.93500	1.6
527.34698	5.4
543.34717	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	528.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42649	0.5
59.01116	0.9
59.01379	13.9
62.11015	0.6
64.42684	0.7
71.01366	6.4
73.02936	18.5
73.08321	0.7
83.01373	2.8
85.02946	1.2
89.02428	4.0
101.02427	17.4
110.72723	0.6
113.02450	5.8
119.03485	3.1
127.43691	0.7
131.03458	1.3
134.02463	9.0
150.05547	7.1
160.03989	7.5
161.08133	1.1
161.29138	0.7
161.94318	0.9
162.01952	100.0
202.05101	0.8
204.03006	1.6
222.04031	13.7
264.05212	0.8
294.06317	1.1
323.13385	2.7
324.07175	1.6
365.14496	10.4
384.09415	1.0
411.44476	0.7
491.45154	0.9
528.17163	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2287
Annotation	Eurycomaoside
Peak:m/z	Relative Intensity
55.01854	1.0
56.74216	0.9
57.03444	31.8
57.60019	0.9
58.26137	1.1
59.01374	35.1
65.44898	0.8
71.01370	12.5
73.02917	5.3
83.01337	1.3
85.02912	5.4
89.02439	8.5
95.01353	1.7
99.00813	1.4
99.04495	48.4
101.02422	22.7
113.02401	8.3
113.06020	1.0
125.02403	21.8
125.06045	1.5
133.34654	1.1
137.02415	1.5
138.06845	1.7
139.07634	2.0
143.03514	1.4
150.64821	1.0
151.07585	7.2
152.08379	15.9
153.09186	39.4
158.26894	1.0
161.04512	4.2
166.62480	1.3
205.12326	18.6
207.13916	8.4
223.13304	2.1
305.20978	1.2
367.17578	18.5
385.18741	14.9
427.19534	18.6
438.48352	1.2
467.22864	4.7
485.23941	7.7
529.22748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
58.30817	0.8
59.01382	10.6
63.67650	0.9
71.01361	7.0
72.99294	2.0
75.00864	9.7
85.02933	11.5
87.00845	2.1
89.02410	2.0
90.74688	0.9
91.45711	1.0
94.40666	0.9
95.01362	1.7
95.14082	0.8
99.00869	5.9
113.02432	13.9
115.00346	1.2
117.01936	1.4
153.05977	0.9
164.38625	0.9
249.06064	6.6
255.23273	1.4
267.07184	0.9
270.59393	1.0
279.23279	78.0
529.30182	100.0
541.02399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40146	0.5
58.00594	0.4
59.01149	0.4
59.01385	8.3
71.01382	5.5
73.02929	0.8
87.00863	2.0
88.76731	0.4
89.02435	9.0
99.00867	0.6
101.02431	4.3
102.01860	0.4
113.02419	3.7
118.02973	1.2
119.03479	2.7
132.04504	0.8
138.05545	0.6
144.04503	1.2
146.02466	7.6
148.04070	5.4
160.04033	69.1
162.02014	0.7
162.05602	28.5
174.05635	0.7
176.03519	2.3
179.05627	1.1
186.05620	0.7
188.03535	25.5
193.05098	1.0
194.05034	0.7
202.05139	0.9
206.04587	67.5
230.04556	3.1
247.04858	0.9
248.05666	19.4
278.06604	1.1
306.07642	0.8
308.07663	3.4
341.10864	2.4
350.08887	1.2
368.09802	3.6
383.12000	3.3
530.15173	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	530.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06875	0.2
78.95892	6.5
92.19072	0.3
106.04097	29.5
106.84416	0.3
152.99570	1.8
160.30371	0.3
168.04308	3.4
189.65672	0.3
224.06912	8.5
242.07938	1.8
255.23285	100.0
279.23328	1.3
298.39731	0.5
423.25281	3.8
480.30969	61.6
530.30493	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	530.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17997	3.0
53.20753	3.1
57.29867	3.4
58.50363	3.4
59.01392	3.3
60.32470	3.2
83.02485	6.5
83.85388	3.6
84.00900	100.0
92.18788	3.6
101.63882	3.4
104.02320	4.3
122.50771	3.9
126.22593	4.1
137.86533	4.1
144.96344	3.7
161.05348	4.4
255.23253	4.4
281.24844	89.4
295.59314	4.4
327.42365	4.2
327.63553	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46556	0.8
59.01380	3.5
60.15546	0.8
63.89122	0.8
73.21806	0.8
89.30916	0.8
92.18500	1.1
101.46593	0.9
104.60684	1.0
119.05022	41.2
163.04018	48.0
177.05598	3.6
188.68903	0.9
218.16597	0.9
265.08798	0.9
266.05975	1.0
267.06662	1.0
278.05923	1.5
281.08264	2.1
292.07568	1.5
294.05432	1.2
305.04474	2.1
306.05350	12.5
306.08652	2.2
307.06229	22.2
309.07538	4.0
320.06888	7.8
321.07715	92.9
322.04800	8.7
322.08524	12.3
335.09094	2.1
336.10117	15.6
337.07239	66.0
337.10736	3.7
352.09418	4.3
361.25540	1.0
367.11899	100.0
437.25986	1.0
440.75726	1.2
527.49438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18153	0.4
59.01370	0.9
64.48798	0.5
71.03925	0.5
73.02524	1.1
73.02933	29.9
75.00890	0.6
78.95884	0.6
99.00851	4.7
113.02405	0.8
116.92831	3.6
117.01917	100.0
120.45839	0.5
134.00987	0.6
139.89127	0.5
151.50685	0.6
162.01938	2.0
187.10875	2.2
188.11160	0.5
189.04048	0.5
189.07651	1.1
200.50642	0.6
269.71008	0.6
383.25220	0.7
387.04224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3178
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
51.55687	0.2
57.03461	0.5
59.01381	9.8
67.01883	0.5
68.99805	0.4
69.03433	0.4
70.48701	0.3
71.01379	8.9
72.99296	2.8
73.02950	1.2
75.00866	10.9
83.01395	0.4
85.02946	10.9
87.00851	2.9
89.02448	3.1
93.03439	0.3
94.24000	0.4
95.01373	3.4
97.90937	0.3
99.00877	7.1
103.00372	1.2
111.00848	0.4
113.02438	14.4
115.00389	1.7
117.01922	2.0
129.01950	0.5
131.99579	0.2
134.43895	0.3
135.98099	0.3
157.01463	0.3
167.01297	0.5
175.02534	1.6
189.04083	0.4
205.07141	0.3
231.05063	0.5
249.06157	7.5
249.80374	0.3
267.07312	1.1
281.24857	92.0
289.98111	0.3
388.13269	0.3
449.26584	2.1
513.30859	0.4
519.05444	0.3
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	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09719	0.3
59.01371	0.5
64.38124	0.3
71.01357	0.8
84.98718	0.3
113.02435	0.4
117.03423	1.5
161.02423	0.6
163.03947	0.5
175.57710	0.3
176.81685	0.3
191.03508	2.0
215.61559	0.4
221.04604	0.7
233.04596	0.5
245.04582	0.6
263.05704	0.4
283.06073	1.7
295.06027	1.6
296.06821	2.4
297.07654	7.4
307.06171	1.4
309.07397	0.3
311.05563	3.4
323.05533	4.0
323.09439	1.2
324.06485	1.7
325.07184	7.8
328.05795	1.7
335.05515	2.7
337.07135	2.0
341.06781	0.8
353.06677	42.9
355.08078	1.8
356.05185	1.4
365.06650	8.3
379.08090	0.5
381.06097	0.5
383.07730	34.3
395.07623	4.8
397.09509	0.7
407.07626	1.4
413.08777	6.8
425.08908	3.1
443.09879	6.8
455.09604	1.3
473.10895	4.1
533.13031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93200	0.9
67.94097	0.8
74.48414	0.9
78.25329	0.8
86.65942	1.0
167.03494	1.0
167.71204	1.2
170.36288	0.9
219.56902	0.9
283.06174	2.0
296.06735	2.1
297.07629	8.5
311.05676	4.4
323.05557	2.4
325.07214	10.9
337.07077	1.8
341.06387	1.8
353.06641	39.9
353.11050	1.4
365.06836	9.4
383.07703	29.8
395.07520	2.4
407.07581	1.6
413.08722	5.8
425.08792	1.9
443.09726	5.5
533.13019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.0
65.49644	2.2
71.01366	10.4
72.99293	3.0
85.02907	2.5
89.02438	13.9
92.19061	2.1
94.74661	2.0
97.49680	2.4
101.02402	9.0
113.02460	4.3
119.03487	2.5
136.01653	2.5
137.02417	3.2
137.06052	10.1
150.03194	3.0
153.01999	2.5
162.03238	2.3
163.03879	2.5
165.05617	4.0
176.01135	32.5
191.03488	65.0
194.02109	2.6
207.61197	2.1
209.04535	57.6
225.90384	2.1
251.05602	4.8
311.07953	3.7
341.10971	8.0
512.81403	2.2
533.15002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1676
Annotation	Amurensin
Peak:m/z	Relative Intensity
50.13430	3.9
52.52514	4.1
57.39034	4.2
59.01379	11.4
65.60941	4.7
68.42867	4.5
71.01383	8.9
71.69035	5.5
74.29974	5.6
75.55319	4.6
90.59220	5.6
101.02406	7.5
103.10526	4.9
119.77888	5.8
145.11125	5.7
160.05330	23.4
165.68805	5.1
174.03261	12.2
175.07649	30.0
180.62183	6.8
180.63853	6.0
180.65468	4.8
191.07144	23.1
202.02797	5.9
205.04965	5.9
206.17992	4.8
213.34251	6.7
262.04822	5.7
267.06717	7.4
279.06668	19.7
282.09021	34.8
294.05530	6.8
297.11346	11.9
308.07095	10.2
309.07910	6.8
322.08588	11.1
323.05646	18.4
323.09293	20.0
326.07898	6.4
329.13864	29.1
338.08041	29.2
341.10349	43.5
353.10373	100.0
364.09845	7.2
365.06625	7.7
371.11642	43.7
380.09293	10.5
383.11478	7.3
395.11374	33.1
413.12607	20.8
425.12384	9.7
443.13412	28.2
455.13412	30.6
473.14337	39.6
503.15475	6.7
533.16724	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	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66961	0.8
59.01376	1.5
65.65937	0.8
68.84809	0.8
70.59921	0.8
71.01360	1.1
89.02416	1.0
90.89304	0.9
99.00832	0.9
121.02934	1.3
128.03499	0.9
135.76317	1.2
137.02377	1.6
151.04004	1.4
154.61467	1.1
193.05109	1.7
255.73010	1.2
262.06314	2.2
263.07156	1.4
264.07901	1.8
265.08905	1.2
266.06201	1.2
266.13983	1.3
267.06635	13.1
278.05664	1.0
278.09384	2.1
279.06586	20.1
281.08148	1.5
282.08945	22.1
293.08060	1.2
294.05310	11.1
294.08960	12.8
295.05994	2.3
297.11298	9.7
307.06470	1.9
308.07040	4.1
309.07700	11.4
310.08466	5.9
321.07773	1.6
322.08508	11.7
323.05600	29.7
323.09131	4.1
326.07980	19.3
338.07965	35.4
341.10294	59.1
353.10287	100.0
371.11319	6.5
454.02081	1.1
533.16638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.4
60.45160	0.3
72.72980	0.3
106.22977	0.3
117.03516	0.4
118.50480	0.3
119.05009	84.4
123.04506	0.4
160.01625	3.9
163.03995	100.0
174.67528	0.4
179.07140	2.2
207.26878	0.3
228.21487	0.3
231.21886	0.4
255.10484	0.4
267.10352	0.6
268.07401	1.4
279.06564	0.6
280.07437	0.7
283.09778	5.2
293.08286	0.6
294.09045	1.2
295.09695	0.4
296.06802	2.1
304.84637	0.3
307.06137	1.4
308.06949	4.1
309.07666	6.2
311.09222	3.3
321.07675	2.5
322.08475	4.5
323.09238	19.1
324.06290	5.7
324.10010	4.7
337.10788	1.4
338.11526	3.3
339.08737	61.6
354.11108	8.6
369.13434	49.0
470.21951	0.4
524.66107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50204	1.6
62.20398	1.7
69.22038	1.9
81.70331	1.8
92.09505	2.0
94.79116	1.9
105.59729	2.3
108.02197	2.1
111.62754	1.8
119.71223	2.2
126.79514	1.9
162.03229	2.5
169.50452	2.3
169.94724	1.9
175.04047	16.0
176.04802	21.8
177.05562	2.2
187.04066	2.8
190.06361	11.9
204.04340	16.3
208.03781	3.7
213.90320	1.9
219.06622	23.9
222.05376	3.9
225.36911	2.3
269.32590	2.4
313.42087	2.1
320.06830	8.1
321.07593	11.3
335.09186	4.0
349.07220	2.5
353.06714	3.1
353.10654	2.6
363.09311	2.3
388.16913	1.9
427.11926	4.4
437.10226	3.4
439.11676	4.7
440.08649	3.9
443.11356	8.6
452.08939	7.4
455.11346	29.7
457.12982	2.6
458.13678	3.4
467.11301	11.7
470.13696	10.4
471.14630	4.1
473.16095	9.8
485.16281	15.8
497.16199	7.1
503.17145	42.1
515.17175	100.0
533.18390	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	533.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
59.82072	0.4
60.41818	0.4
67.12811	0.4
68.41526	0.4
70.66059	0.4
71.01372	0.6
121.02921	2.1
123.00850	0.8
123.04505	0.9
133.02328	0.5
133.39380	0.5
136.05275	2.1
138.03212	0.5
143.04967	0.5
147.04559	1.1
149.02449	0.8
150.03195	4.7
157.43469	0.5
158.03798	0.6
159.04507	4.5
160.05286	31.9
161.06073	5.4
163.04015	3.8
164.04796	5.1
168.32469	0.5
173.06059	3.8
174.06839	2.4
175.07631	40.2
176.04906	0.7
177.05608	6.4
178.06340	22.9
191.03474	0.7
191.07224	1.1
192.07922	11.1
193.08635	3.8
196.12425	0.5
232.54733	0.5
267.06906	1.5
275.41086	0.5
279.06442	0.7
282.08868	2.2
294.05209	0.8
294.08835	0.8
297.11331	0.6
299.51834	0.6
308.07062	0.6
309.07742	1.8
309.11063	0.5
314.11435	1.0
321.07620	0.6
322.08322	0.6
323.05670	0.9
323.09210	2.5
326.90350	0.5
329.13943	100.0
338.08008	3.5
341.10330	5.3
353.10236	9.3
365.06787	0.7
371.11313	4.2
380.08905	0.8
383.11279	0.6
395.11380	2.9
413.12424	2.8
425.12393	0.6
443.13293	3.2
455.13385	1.1
473.14005	4.0
533.21149	3.4
547.77582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09751	0.5
59.01387	0.8
62.17146	0.5
70.67503	0.7
90.76250	0.7
92.19018	0.8
97.86679	0.5
111.75352	0.6
133.02948	10.3
160.01616	2.5
175.04012	10.4
177.01932	8.4
201.18596	0.6
246.57851	0.6
248.42142	0.6
279.23267	1.4
518.30396	59.3
533.32751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.8
71.01373	2.3
73.79387	0.5
77.85462	0.5
79.70258	0.5
83.92732	0.5
89.02428	2.8
92.01634	0.5
92.18935	1.2
98.89575	0.5
101.02415	4.3
105.89845	0.6
113.02432	2.6
161.04610	2.0
179.05684	0.8
182.21544	0.5
235.08253	3.3
253.09290	16.4
255.23285	100.0
309.66586	0.6
314.21423	0.6
491.32300	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	535.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51743	0.4
52.55192	0.4
59.01380	13.7
60.49675	0.4
66.39778	0.4
71.01376	4.5
72.99295	0.8
75.00880	0.5
79.47836	0.3
85.02953	1.8
86.23897	0.4
89.02435	5.6
92.18987	0.6
101.02431	1.5
103.00365	100.0
113.02443	1.6
131.03496	0.6
144.93817	0.4
155.97386	0.4
175.06120	2.1
182.91748	0.4
193.03532	84.4
193.07181	11.0
225.59805	0.4
300.14520	0.4
370.66626	0.4
495.84790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26752	2.0
59.01370	5.9
60.75006	2.0
61.60914	2.1
69.45081	2.5
71.01366	4.2
73.02948	3.9
85.02886	2.6
86.00072	5.2
87.00862	17.3
92.18410	3.1
96.74020	2.6
101.02460	3.0
106.02981	3.5
122.06101	14.8
134.02461	12.2
136.07681	21.1
149.39832	2.4
150.05591	92.7
152.07149	4.4
160.04015	4.9
160.28088	2.5
162.01955	61.3
162.05629	4.1
164.07172	3.7
174.05621	3.5
175.06401	6.0
176.07222	20.7
194.08281	3.1
194.79781	2.6
293.09113	3.3
312.10901	10.0
354.11935	20.5
363.05664	2.9
372.13007	100.0
499.13208	3.6
517.14777	20.7
535.15662	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1822
Annotation	Scrophuloside A1
Peak:m/z	Relative Intensity
59.01407	2.2
61.35564	0.3
71.01397	0.7
85.02973	0.5
96.77920	0.4
103.00352	3.7
104.49803	0.4
108.02187	0.6
108.32710	0.4
109.02977	0.8
111.83794	0.4
121.02943	3.0
122.03791	1.0
123.00967	0.5
123.04560	2.0
127.61001	0.4
134.03751	0.9
136.05365	2.6
137.02490	0.4
137.06133	0.7
146.03773	1.7
147.04523	2.9
148.05312	3.7
149.02477	1.8
149.06248	0.5
150.02168	0.5
150.03259	2.8
151.04031	0.5
153.05597	0.4
158.03760	0.5
159.04489	3.8
160.05286	17.0
161.06065	8.6
162.06889	3.0
163.04012	3.2
164.04773	5.3
173.06139	2.3
174.06924	0.7
175.07629	32.3
177.05542	5.2
178.06329	20.1
180.02721	0.5
192.07907	10.4
193.05116	0.8
193.08788	4.5
206.01799	0.5
240.63310	0.4
283.06244	0.6
283.09818	1.6
284.10550	15.3
298.12094	0.9
299.12881	14.2
311.05655	4.1
314.11523	1.6
329.13947	100.0
373.12872	4.9
396.96707	0.4
408.80560	0.5
431.09821	3.7
491.12305	0.7
491.19281	15.2
535.18158	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	535.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57662	1.7
64.13067	1.8
90.46648	2.0
92.17542	2.1
99.57392	2.2
121.02940	3.5
123.04496	4.9
160.05281	10.1
162.03302	2.8
175.07535	3.3
177.05556	3.6
178.06361	8.8
188.04915	3.3
191.07188	4.7
203.07104	17.8
205.05194	3.1
206.05893	11.3
211.91136	2.2
214.15483	2.1
221.08197	28.0
265.04993	5.2
279.06543	2.8
280.07468	3.4
284.22650	2.4
322.08423	9.0
323.09232	21.0
337.10886	11.2
338.11566	4.3
343.30585	2.7
411.12445	3.2
412.09485	3.7
414.10797	2.7
415.11865	4.1
423.12613	4.9
424.09351	5.5
426.94656	2.6
427.11880	29.4
429.13632	2.8
430.14273	8.8
439.11929	31.1
441.13345	4.2
442.14227	13.8
445.16922	4.0
454.14691	8.7
457.12894	22.8
457.17548	11.8
469.11942	2.8
469.16711	12.0
472.15372	10.3
475.17700	21.7
487.17673	54.5
499.17514	43.5
505.18842	47.8
517.18677	100.0
535.16626	2.9
540.38733	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	535.1982
Annotation	Lappaol A
Peak:m/z	Relative Intensity
51.76727	1.2
57.67616	1.3
59.01385	3.9
85.96245	1.5
108.02148	2.9
117.17993	1.5
123.04523	6.7
136.01662	14.1
137.02480	2.4
151.04004	28.4
163.04071	2.9
190.06461	3.5
193.05139	2.2
281.04572	2.6
284.06934	3.8
296.07117	15.6
299.09207	3.2
311.09286	3.0
324.10101	2.0
339.12338	2.0
341.32181	2.0
399.14563	3.5
410.14828	1.9
427.11569	5.5
439.11981	1.9
457.17145	2.3
460.15497	2.0
475.18381	2.3
487.13306	13.3
502.16599	2.3
505.18683	42.2
517.18677	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	535.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70935	4.8
54.61496	4.1
57.03458	58.2
59.01378	41.1
93.69569	5.1
99.04527	59.4
101.02472	18.5
119.05018	100.0
121.02970	5.7
125.91065	5.1
129.26563	5.5
163.04027	70.5
205.40170	5.2
225.03525	5.0
391.16299	56.6
517.15363	8.5
535.20520	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	536.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53453	1.1
50.83982	1.0
54.36967	1.1
59.46477	1.3
64.35225	1.2
66.37772	1.4
75.14200	1.3
80.20411	1.1
85.09694	1.3
89.21340	1.3
95.84320	1.3
99.52711	1.4
105.05773	1.3
108.45058	1.4
116.92838	22.9
117.92867	12.3
123.00851	2.5
124.01633	6.7
125.02422	36.3
134.02486	6.7
137.02428	2.1
146.08266	1.4
149.99597	13.3
151.00401	1.2
160.04066	2.9
162.01961	31.5
167.34558	1.4
168.00638	70.1
169.01445	7.0
280.15457	1.4
313.05521	1.6
331.06610	9.3
373.07541	1.8
536.10437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Bidenlignaside B
Peak:m/z	Relative Intensity
52.80647	1.0
54.50586	0.8
59.01373	19.9
61.98820	1.7
71.01379	11.7
74.33408	1.1
76.80933	1.1
85.02916	2.5
89.02431	13.9
96.51357	1.1
101.02438	8.8
110.41588	0.9
113.02409	8.7
114.90119	1.0
119.01720	1.0
119.03492	5.8
121.02976	1.2
122.03715	2.0
133.02957	1.3
149.02406	4.1
150.03198	52.1
151.04021	1.2
161.04543	2.5
164.04773	5.1
165.05542	100.0
179.05597	9.2
180.04286	8.6
195.06604	34.7
243.54329	1.1
279.03445	1.2
312.10004	4.3
327.12402	11.2
375.14590	4.2
489.17523	5.0
537.19763	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	537.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.4
61.98061	1.1
67.46140	1.4
68.29959	1.4
85.21761	1.4
89.09840	1.4
94.69493	1.4
101.26110	1.3
101.43494	1.3
101.46220	1.2
119.04991	3.2
121.02951	3.0
123.04531	1.5
135.04582	2.5
145.02992	2.0
146.03812	1.5
147.04526	5.6
150.03232	6.1
159.04526	5.2
160.05290	23.2
161.06064	7.2
162.06943	1.6
163.04022	7.7
164.04788	7.2
165.05634	1.4
173.06085	2.6
174.06844	1.8
175.07632	23.5
177.05569	9.6
178.06371	13.6
180.02237	1.5
192.07933	10.7
255.06621	5.3
265.08682	2.6
266.05786	5.7
267.06647	21.2
268.07468	1.7
269.08215	25.1
270.09003	7.8
281.08206	43.0
282.08984	17.3
284.10562	2.6
296.10440	4.8
302.07681	2.1
314.08109	2.8
316.09525	2.1
371.15198	2.3
429.13397	9.4
432.16049	2.2
444.15900	12.6
447.18622	2.9
459.18408	3.1
474.16727	1.9
477.19250	55.9
477.25824	2.8
489.19287	100.0
507.20291	36.3
519.20245	35.8
537.17163	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	75.2
59.01383	54.4
59.71835	0.5
71.01378	3.4
73.02953	1.2
76.79739	0.5
83.01373	1.4
85.02941	1.2
87.19855	0.6
99.04511	62.0
101.02438	16.3
113.02404	2.6
125.02427	18.2
143.03500	2.5
143.19852	0.6
161.04559	4.5
226.33098	0.7
249.13426	16.1
291.14484	5.4
331.17661	1.0
393.17685	60.2
394.51151	0.6
435.18848	15.0
475.21841	1.1
537.21948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2708
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
51.45007	0.2
52.95290	0.2
54.89324	0.2
58.73858	0.2
59.01384	100.0
71.01375	1.2
85.02955	0.4
92.18396	0.5
101.02438	0.9
113.02443	0.5
147.66003	0.2
152.99602	1.0
161.04575	0.5
170.96759	0.3
312.02972	0.3
477.25037	2.8
477.31348	0.3
537.27045	5.3
537.33734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60759	0.5
61.23479	0.6
62.79726	0.5
64.33208	0.5
78.95899	8.0
152.99574	4.0
165.02686	0.6
168.04298	2.4
216.37300	0.7
224.06937	5.1
232.35870	0.6
242.07950	1.3
255.23303	100.0
422.27722	0.6
423.25284	2.9
480.30984	77.0
529.80383	0.7
537.33252	26.5
546.72119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.3
67.77201	0.4
71.01379	11.5
73.02959	1.7
77.15004	0.4
80.18140	0.4
80.84718	0.4
83.15142	0.4
83.50848	0.4
84.70026	0.4
85.02940	1.6
87.00852	3.7
89.02446	28.0
96.96953	0.5
101.02446	12.4
102.54222	0.4
110.81338	0.4
113.02441	8.5
119.03508	4.4
131.03488	1.5
132.30745	0.4
143.03534	3.0
144.63295	0.4
146.04521	0.5
149.04544	0.7
161.04605	3.6
179.05632	8.6
197.02461	0.4
221.04623	0.8
221.06676	16.0
340.95697	0.5
341.10861	2.1
377.08475	6.1
503.16290	37.0
539.13916	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	539.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89058	0.8
52.83336	0.8
54.58241	0.9
58.87212	0.8
59.01111	1.3
59.01385	26.8
65.11391	0.8
71.01389	8.0
73.02925	1.5
83.01362	1.3
85.02924	3.8
88.66447	0.9
89.02440	1.3
97.68473	0.9
101.02437	6.1
109.44792	1.0
113.02428	4.4
121.02935	7.1
123.00848	1.8
137.02357	1.6
138.03226	4.6
139.03946	1.2
153.05582	20.1
154.81517	0.8
161.04587	1.6
181.01424	5.9
182.02217	16.4
183.02985	5.7
196.03755	10.7
197.04575	57.6
207.06387	0.9
211.06155	9.1
215.99240	0.9
224.03242	5.7
239.05630	38.7
269.06607	1.1
299.07672	4.9
326.06525	1.4
327.07227	1.9
341.08887	8.0
435.23877	4.9
447.22522	1.0
479.26999	7.9
539.14050	100.0
539.28192	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05681	0.6
52.56867	0.5
59.01374	9.6
62.24232	0.6
84.85239	0.6
92.18844	0.8
104.53280	0.7
109.00462	0.7
149.02419	3.2
156.28964	0.6
159.39275	0.7
161.02557	0.8
163.03964	1.1
231.85017	0.7
271.02533	2.9
273.18503	1.2
283.06113	4.7
283.35931	0.7
285.04053	2.9
298.04813	1.5
299.01965	52.0
300.02628	0.8
300.39789	0.7
311.02368	1.0
311.05612	7.2
313.03513	12.0
313.07147	3.7
314.04327	100.0
317.17499	7.4
317.21188	3.1
327.04962	0.9
328.05771	2.6
329.06656	99.5
359.18472	1.2
378.55063	0.8
433.09326	3.5
477.11884	27.9
507.12500	1.1
539.15680	23.9
539.27441	1.1
539.64911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1978
Annotation	Romidepsin
Peak:m/z	Relative Intensity
53.96596	0.8
57.03447	65.8
59.01374	62.7
70.48359	0.8
71.01358	5.4
73.02937	1.8
79.31815	0.7
83.01365	1.3
83.94956	0.8
85.02922	1.1
90.82325	0.8
92.19129	1.0
99.04499	61.0
101.02428	21.2
113.02424	4.8
119.01386	0.8
121.41824	0.8
125.02413	23.9
143.03482	3.3
159.03000	1.2
161.04535	12.3
251.11322	27.7
282.03534	1.0
293.12454	10.2
333.15527	1.6
335.13309	1.0
395.15546	81.3
437.16635	15.9
539.19763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53426	1.4
57.03441	2.0
58.93945	1.5
59.01368	10.5
71.01372	8.3
73.70757	1.7
83.15435	1.7
85.02931	3.4
89.02415	1.9
101.02448	12.0
102.60464	2.0
106.00259	1.8
113.02406	3.8
122.03734	4.1
123.04533	2.3
124.41264	1.7
133.02937	3.2
137.62657	2.4
148.35500	1.8
149.02425	9.0
150.02039	1.8
150.03214	55.6
164.04794	3.4
165.05551	100.0
180.04335	3.8
181.08673	9.1
195.06601	30.3
297.04794	2.1
314.11469	3.1
329.13922	9.3
343.13998	11.0
491.19342	65.2
539.21436	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	539.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.20076	0.6
71.01388	1.8
89.02431	1.5
97.61800	0.9
100.64989	0.7
101.02443	3.5
113.02465	1.2
119.03446	0.9
129.19859	0.9
155.87418	0.8
171.10341	0.8
281.68686	0.9
299.19919	0.8
317.17511	3.5
317.21277	3.0
344.10263	0.8
376.11826	0.8
381.34174	0.8
398.96078	0.9
421.37894	1.0
479.26514	40.8
539.26855	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	540.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.0
61.19313	2.6
63.37205	2.1
66.05112	1.7
68.53664	1.8
71.01380	14.9
72.80328	1.6
73.02940	34.0
76.92802	1.7
82.99512	1.8
83.01382	7.2
89.02434	3.6
101.02431	29.9
111.15417	2.0
113.02429	4.4
119.03510	3.5
134.02477	11.1
155.07108	2.3
160.04019	8.4
162.00597	2.8
162.01947	80.8
204.03140	3.9
212.48183	1.9
228.13159	2.2
244.50792	2.0
246.04012	3.4
311.68076	2.4
335.13492	4.0
377.14548	20.7
476.63528	2.2
540.17273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.3
74.68570	0.2
78.95887	7.2
90.45669	0.2
95.49998	0.2
113.13748	0.2
121.81458	0.3
152.99603	2.5
168.04276	2.6
184.51485	0.3
224.06940	8.1
241.21721	100.0
242.08037	1.4
466.29382	67.5
540.33698	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.5
60.16254	3.6
61.95538	3.3
67.54101	3.3
72.36710	3.2
80.37389	3.9
89.02423	4.1
101.02410	4.3
106.20564	3.7
108.02176	4.6
116.92792	4.3
119.04959	6.4
120.52715	3.8
120.99636	4.9
123.04536	14.1
136.01636	64.3
149.02458	15.0
150.03186	41.7
151.04001	92.5
163.03978	19.8
165.05560	49.6
177.05608	4.6
178.02681	19.6
181.05174	4.1
187.09714	5.7
193.05046	19.8
195.06586	15.1
239.07227	5.9
312.06390	4.5
315.08698	24.8
327.08762	20.5
389.12491	69.3
448.11472	7.7
463.13870	9.0
493.14694	31.2
541.16949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2142
Annotation	(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
Peak:m/z	Relative Intensity
50.85343	1.2
55.01867	1.9
57.03456	21.7
59.01385	25.8
65.72544	1.4
68.62534	1.4
70.64485	1.5
71.01385	23.6
71.05010	2.4
73.02945	13.3
73.06576	7.0
83.01374	2.5
84.53674	1.6
85.02942	16.2
87.00877	1.8
87.15283	1.5
89.02433	11.9
99.00874	3.0
99.04515	10.7
101.02429	42.6
113.02458	12.9
119.03522	2.7
125.02440	8.8
134.88846	1.7
143.03578	2.5
159.03058	2.2
161.04552	10.5
186.06244	1.8
235.11861	18.1
260.78497	2.1
266.46375	1.7
298.04813	2.2
341.06702	10.9
376.97876	1.8
379.16257	5.9
397.17084	24.9
439.18134	12.4
461.11313	2.4
479.21341	3.0
541.13196	3.2
541.21478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88789	0.8
57.03456	2.7
58.98788	0.8
65.49197	1.1
67.48928	1.0
69.94231	0.9
97.06570	2.0
123.08223	1.2
123.52888	1.2
125.09734	12.1
137.09596	1.2
139.11310	5.3
144.59317	1.0
155.10808	1.3
167.10793	15.2
185.11855	43.7
211.09790	12.7
229.10736	1.9
255.23325	64.1
285.13449	4.4
303.14499	2.5
307.31531	1.1
541.37543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2092
Annotation	Zeatin-9-glucoside-O-glucoside
Peak:m/z	Relative Intensity
59.01098	1.4
59.01375	22.9
65.04707	0.6
71.01375	76.3
71.05008	6.5
73.02927	1.1
75.97386	0.7
80.07377	0.6
80.48431	0.6
83.01370	7.2
85.02936	8.2
87.00854	9.6
88.04027	64.2
88.25942	0.7
89.01872	1.3
89.02427	38.1
95.01361	0.9
97.02904	0.7
99.04493	2.8
101.02425	18.1
113.02433	24.6
116.07177	0.8
118.99631	0.7
119.03461	15.5
129.05519	0.9
131.03479	2.9
143.03517	5.3
146.08220	63.4
161.04555	5.3
162.01985	1.0
162.14548	0.7
179.05620	10.1
186.01999	0.6
195.31415	0.7
218.10324	51.0
249.63907	0.7
297.34387	0.7
323.09851	8.0
341.10876	100.0
380.15466	3.0
395.11905	23.7
458.70441	0.9
523.88562	0.8
542.20972	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	542.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87250	0.9
55.53090	1.0
56.29688	0.9
59.01385	13.5
71.05016	9.4
78.95893	8.5
78.96291	1.0
79.80853	1.1
89.91730	1.0
91.80955	1.0
102.82954	1.1
108.75478	1.1
119.05061	1.0
125.05800	1.0
128.52921	1.0
152.99518	1.7
154.87370	1.2
155.14413	4.7
160.14131	1.0
168.04359	5.2
169.15964	8.2
197.19113	20.2
224.06946	10.4
225.18581	4.2
243.19640	96.3
357.43695	1.2
468.27338	100.0
542.30865	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	543.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
64.06874	0.3
71.01357	0.7
72.68026	0.4
89.02432	0.8
91.17689	0.4
92.18989	0.6
96.96021	0.4
101.02444	0.9
108.02201	0.6
113.02427	0.6
134.03531	0.4
135.04480	1.7
136.01642	66.2
148.06927	0.4
149.02370	0.5
150.03206	8.2
150.37318	0.4
151.03984	100.0
164.04836	0.8
165.05547	13.1
165.06935	0.5
180.04276	0.7
195.06592	3.6
201.35306	0.5
302.26279	0.4
363.18179	0.8
381.19128	2.0
400.57758	0.4
483.25739	1.9
543.17511	0.5
543.24884	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88883	0.6
52.96239	0.8
59.01385	100.0
92.24007	1.0
97.58778	0.9
114.01022	0.8
157.89891	1.0
249.70166	1.1
286.55695	1.0
300.88721	0.9
377.57690	0.9
391.77628	0.9
556.69702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74401	0.6
59.01374	5.1
71.01382	8.3
73.02931	1.1
85.02917	2.2
88.04017	3.0
89.02414	4.4
99.00872	1.2
101.02410	11.4
113.02435	3.9
116.39562	0.7
119.03475	0.9
130.05109	1.4
130.08716	100.0
159.03015	1.1
161.04527	4.4
202.10765	1.4
240.42720	0.7
251.11240	5.6
373.36731	0.8
413.16605	67.6
544.25513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.7
59.97324	0.4
71.01373	4.1
71.21651	0.4
73.02943	1.8
83.01369	0.7
85.02937	0.6
87.00862	1.8
89.02444	4.5
101.02427	4.1
111.66118	0.5
113.02446	3.9
117.03471	0.5
119.03479	0.9
130.08841	0.4
133.02956	10.2
135.04507	2.0
161.02438	100.0
162.01956	2.0
177.01944	7.5
179.03499	0.8
179.05560	0.8
203.03395	0.5
283.10345	1.8
323.07639	0.6
341.10968	1.0
381.10382	2.1
399.11066	0.8
509.16751	0.5
545.15167	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	545.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65478	0.6
63.22702	0.7
68.39846	0.6
76.79232	0.6
82.79366	0.5
100.11257	0.7
117.03455	12.6
118.04199	2.5
119.05004	36.9
121.02946	0.8
125.34008	0.7
132.05757	1.0
133.06528	0.7
133.11351	0.6
137.25159	0.6
145.02936	57.1
163.03979	21.7
171.10291	0.7
177.05560	2.5
201.05566	3.7
277.21594	0.9
308.06506	0.8
324.05850	1.0
336.06656	0.9
337.07065	1.2
339.08640	12.0
354.10974	5.4
383.07648	1.5
398.10046	1.2
413.12497	1.1
532.56464	0.6
545.18134	100.0
574.03217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17540	0.2
52.56786	0.2
54.06476	0.2
58.02969	2.7
58.33295	0.2
59.01360	0.4
69.03445	0.5
71.01370	0.5
72.04539	0.4
72.99290	0.2
74.02457	0.8
86.06077	0.2
89.02409	0.5
95.36988	0.2
97.02924	1.0
99.00859	0.3
100.04041	0.8
101.02412	0.3
113.02465	0.3
113.03545	0.3
114.01926	0.5
115.49136	0.2
126.05592	1.0
128.03488	0.3
131.04578	0.8
139.08754	8.4
140.01738	0.3
141.01953	0.3
141.05530	0.4
141.06602	0.3
141.10312	11.4
143.08272	1.8
157.09782	0.4
159.06586	0.3
159.11383	0.3
161.09288	3.1
173.09256	2.0
185.09296	18.9
201.04138	0.2
202.07181	3.1
203.00244	0.5
203.01970	5.0
203.05403	3.1
203.10371	100.0
339.67111	0.3
341.10739	0.9
432.84409	0.3
501.27353	0.3
533.55652	0.2
545.15015	0.4
545.22461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	23.3
59.01372	35.5
59.41486	4.7
63.55449	4.0
66.89624	5.0
68.54828	4.4
71.01353	10.9
72.59910	4.9
73.02927	5.6
77.60698	5.3
85.02933	7.2
89.02460	5.6
97.02941	5.4
99.04504	9.8
101.02412	9.9
113.02429	7.7
123.04482	5.4
125.02405	6.6
151.07602	10.9
179.10802	5.7
203.10838	46.2
221.11810	43.3
244.94392	5.1
363.81302	5.8
545.22516	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	546.147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66019	0.2
59.01114	0.4
59.01384	5.7
71.01373	3.8
73.02934	2.8
73.72268	0.2
76.53926	0.2
83.01392	1.2
85.02955	0.5
87.00877	2.2
88.04047	1.6
89.02428	4.6
95.01353	0.3
97.02926	0.6
101.02436	5.7
106.02991	3.4
109.85038	0.3
113.02446	3.5
119.03483	1.5
120.90042	0.2
131.03503	0.3
132.06674	1.3
134.02477	14.0
134.06149	0.3
141.02089	0.3
143.03514	0.6
149.04469	0.2
150.05608	3.3
154.66016	0.3
158.08211	1.2
160.04048	9.5
160.06058	0.4
161.01221	0.4
161.04582	1.7
162.01961	100.0
178.05072	0.4
179.05612	1.6
181.54201	0.2
186.01974	0.5
186.07668	0.3
189.14644	0.2
203.02028	0.3
204.03123	2.9
204.08780	9.1
204.10645	0.4
221.06845	0.3
222.04091	11.5
222.06174	0.5
238.92517	0.3
246.03992	0.3
264.05115	1.1
266.17303	0.3
294.06317	0.4
323.09860	1.5
324.07266	0.5
341.10925	4.1
366.08185	1.7
383.11978	14.8
384.09460	1.3
409.10474	0.3
443.20276	0.3
468.11340	0.4
486.12476	0.4
504.74097	0.3
528.13672	4.2
546.06104	0.5
546.14624	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	547.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72050	1.6
54.99025	1.4
57.03253	1.1
57.03451	21.5
60.05643	1.3
66.16882	1.5
75.82299	1.5
91.45537	1.3
99.04501	3.6
101.02419	3.0
105.55361	1.5
107.54041	1.5
214.55920	1.8
235.10220	1.7
285.04089	8.1
299.02115	13.4
307.97360	1.7
313.03564	76.1
314.04373	40.4
327.05270	6.5
328.05856	100.0
329.06665	41.0
403.10336	64.3
407.71783	1.9
424.54544	2.1
445.11313	42.3
482.22183	1.9
485.14386	32.3
547.14276	23.4
563.60199	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	547.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49218	2.2
59.01371	11.3
64.47985	2.8
71.01388	6.0
82.31012	2.2
89.02402	3.1
101.02424	4.1
104.24617	2.5
123.04491	5.0
137.02403	3.0
161.04630	2.7
161.49551	2.6
161.83028	2.5
163.04016	4.0
164.04715	2.8
173.06093	11.9
175.02553	2.6
190.02856	2.9
217.05066	14.2
223.06277	9.8
254.10150	2.9
267.06641	5.2
281.08194	11.5
282.08939	39.8
297.11234	17.7
326.07956	45.7
340.09564	5.7
341.10306	89.4
355.11942	17.6
367.08328	12.0
383.11301	23.8
387.28671	3.0
413.12439	100.0
509.30069	3.0
547.17114	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	547.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
60.40476	0.7
60.54056	0.8
81.01814	0.6
83.05019	0.6
117.03455	13.8
118.04234	15.1
119.05022	32.4
121.02946	17.0
123.04543	5.8
133.02933	4.4
134.03729	1.4
138.03217	3.0
145.02962	9.8
145.06656	1.0
153.05638	1.2
162.03224	100.0
163.04001	36.9
175.26945	0.8
177.05560	55.2
178.02820	1.3
190.90240	0.8
210.31454	1.1
223.06204	3.4
267.06622	0.9
270.09000	1.5
294.08783	1.5
325.10822	3.3
341.10172	4.5
369.09827	31.2
383.11377	6.1
384.15897	1.3
401.12067	1.2
440.66885	0.9
547.16138	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	547.1665
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
51.93296	0.4
55.85653	0.5
59.01378	8.7
71.01374	7.1
73.02943	1.1
81.09498	0.5
83.01381	0.7
85.02917	2.1
87.00883	2.8
89.02428	10.6
94.10049	0.6
95.01354	0.9
100.51913	0.6
101.02414	6.2
102.22739	0.5
108.63834	0.6
110.83949	0.6
113.02424	6.5
119.03482	2.3
121.02961	0.6
137.02419	1.0
147.04504	2.4
149.02425	10.4
149.03564	0.9
152.01120	0.7
161.04549	0.7
164.04771	36.6
166.08435	0.5
175.00325	2.6
179.05681	1.2
179.07121	5.9
190.02696	40.8
191.03406	0.9
203.31146	0.6
205.05043	68.5
206.05840	2.6
208.03760	5.0
209.04518	1.1
221.08153	6.0
223.06099	41.4
224.50034	0.7
237.07655	3.1
265.04614	0.8
265.07141	13.5
295.08206	1.2
323.09897	0.8
325.09210	1.2
341.11072	0.9
367.10229	2.2
385.11481	3.0
386.80045	0.7
485.29932	0.6
547.16681	100.0
547.23779	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	547.1674
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
57.34065	0.2
59.01380	9.3
71.01380	7.2
72.99297	0.3
73.30526	0.3
77.96605	0.3
85.02947	1.2
87.00851	0.6
89.02435	15.5
101.02443	4.6
102.50684	0.3
113.02415	4.8
119.03498	4.5
131.03380	0.4
137.02376	0.5
149.02402	0.8
152.80618	0.4
161.04517	0.7
164.04762	5.6
175.00362	4.9
179.05569	1.5
179.07095	0.5
190.02713	61.1
205.05054	100.0
208.03760	0.5
215.95029	0.3
219.30211	0.4
223.06110	8.1
331.63171	0.3
341.10852	4.1
367.10324	1.7
377.64285	0.3
547.16699	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	41.5
60.26200	0.5
71.01369	23.1
78.78890	0.5
85.02933	5.2
87.00882	0.9
89.02425	39.4
95.01408	1.3
101.02425	14.3
113.02422	10.8
119.03477	13.3
131.03476	0.9
143.03467	2.3
161.04527	2.7
161.11101	0.6
169.12317	100.0
179.05597	16.2
197.15358	0.9
215.16496	4.7
226.24837	0.7
247.06998	0.6
270.25223	1.3
349.18616	25.2
367.28421	6.0
495.32990	0.8
547.34711	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	549.1365
Annotation	Cefclidin
Peak:m/z	Relative Intensity
57.09207	0.6
57.29752	0.5
59.01374	2.8
60.51041	0.5
60.67482	0.6
64.41009	0.5
71.01376	1.2
73.02932	0.6
86.06503	0.6
89.02446	1.4
92.05032	0.8
101.02421	2.3
102.18507	0.6
106.02969	2.3
113.02452	0.8
120.04530	3.9
134.02478	13.1
134.06062	0.7
137.02444	3.1
138.05602	7.6
150.05559	3.0
160.04028	7.0
162.01959	100.0
164.03523	11.1
178.05042	0.8
186.01978	0.7
192.35419	0.6
204.03014	1.1
211.75381	0.6
222.04102	6.1
247.48297	0.6
264.05182	0.8
289.12305	0.6
300.10950	3.8
324.07272	0.9
386.52921	0.6
387.26068	0.7
420.12677	0.6
549.13672	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	549.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88051	1.7
69.11715	1.8
80.82401	2.1
86.26862	1.7
103.13913	1.9
108.02187	2.1
121.02856	2.5
123.04551	2.4
136.01614	4.0
146.03659	2.4
149.02461	2.8
150.03244	4.5
151.03983	15.7
160.05217	14.6
161.06038	9.1
164.04753	2.2
175.07646	3.3
178.51114	2.1
210.65987	2.1
281.04663	2.1
281.08182	8.9
282.05228	2.5
284.07013	3.6
293.08099	2.9
295.09692	4.5
296.06976	4.1
296.10541	9.1
297.07660	3.9
299.09180	3.0
309.07709	2.7
321.07791	3.7
323.09009	2.4
324.10132	8.2
325.10675	4.6
339.12289	5.0
356.09390	3.2
369.13559	3.7
412.09604	7.1
415.12112	16.5
427.11719	29.0
429.13507	3.2
430.14203	17.7
442.14270	15.4
445.16980	7.2
457.12604	8.7
472.15344	3.9
475.17822	11.2
487.17651	40.8
498.02570	2.1
501.15582	9.9
505.19055	2.8
519.16589	38.4
531.16577	100.0
549.17639	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	549.1774
Annotation	Erabulenol B
Peak:m/z	Relative Intensity
51.35192	0.6
56.74709	0.7
59.01387	9.4
68.99825	5.0
71.01382	2.8
73.02929	1.3
85.02950	2.8
89.18040	0.7
101.02424	3.4
108.02164	12.7
109.02930	1.3
113.02418	2.9
123.00881	1.0
123.04529	12.9
128.03516	3.3
132.02184	1.1
138.03206	0.8
148.01663	0.8
150.03224	4.5
153.05504	1.0
157.68884	0.7
161.02440	3.9
161.04541	2.9
162.03192	1.3
163.03998	3.2
165.05548	1.2
175.03981	1.0
177.05595	8.6
178.02713	28.8
179.05592	0.9
190.06424	1.5
193.05045	24.1
218.05965	0.9
219.74751	0.7
249.05449	1.0
253.16010	14.2
270.92084	0.8
283.17053	1.7
291.06577	3.0
292.07510	1.2
294.09021	2.6
295.06061	4.3
306.08969	5.6
307.06219	14.2
307.09540	1.4
309.07553	7.6
310.05481	1.0
310.08542	14.5
321.07742	1.4
322.08386	15.8
324.09976	3.9
325.10828	15.5
337.10880	10.4
362.08105	1.2
377.10410	1.3
445.22318	24.2
489.21436	1.1
501.15909	1.4
519.16766	1.6
549.17657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1772
Annotation	Erabulenol B
Peak:m/z	Relative Intensity
59.01380	2.3
61.71915	0.8
64.88816	1.0
70.84004	1.1
117.03442	11.0
118.04234	12.5
119.05013	92.9
121.02941	16.2
123.04515	6.6
133.02924	4.1
134.03706	1.9
145.02946	17.4
146.03696	11.7
161.06079	4.3
162.03214	19.8
163.03999	100.0
164.04770	5.2
174.33873	1.0
176.04814	9.9
177.05563	1.2
179.03474	5.8
179.07127	7.6
180.04185	1.8
191.07114	8.9
194.05786	6.2
208.03780	1.9
223.06117	5.6
369.09732	17.7
385.12976	13.4
452.05728	1.3
549.17688	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.198
Annotation	Eucommin A
Peak:m/z	Relative Intensity
51.70705	0.6
59.01377	1.2
62.39500	0.6
70.19753	0.6
71.01367	1.3
73.02919	1.0
75.00866	2.8
77.67102	0.8
78.36603	0.7
83.01365	0.8
85.02946	1.0
101.02419	1.0
105.11366	0.7
113.02442	1.5
136.00606	1.5
136.01646	39.6
137.02385	2.6
151.03998	100.0
158.50076	0.7
159.04503	0.8
160.05293	1.8
161.04538	1.8
175.07643	3.1
194.20393	0.9
217.04842	0.9
235.05951	0.8
311.12930	1.3
387.14505	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	94.2
59.01384	60.3
69.85967	1.5
71.01357	6.9
73.02930	6.7
78.82093	1.3
83.01395	1.8
89.02435	10.6
92.18974	2.3
99.04513	69.5
101.02437	31.2
113.02404	6.5
119.03484	2.1
123.04507	2.1
125.02446	21.0
132.88023	1.6
140.65857	1.8
143.03461	2.1
153.06729	1.9
161.04605	2.1
166.51413	1.6
213.57976	1.7
226.19524	1.5
230.76602	1.7
303.03418	1.9
374.72745	1.6
405.17645	64.7
447.18747	14.4
535.87653	1.9
549.13403	3.2
549.21906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51843	0.6
54.59156	0.7
57.92892	0.6
58.01665	0.8
59.01384	18.6
61.14950	0.6
61.98830	1.3
62.46479	0.6
66.35956	0.6
70.64082	0.7
72.81731	0.6
77.25974	0.7
78.95902	8.0
115.85123	0.7
122.25751	0.8
152.99545	3.4
168.04298	3.4
168.34373	0.8
224.06938	10.7
233.19118	0.9
242.08115	1.4
251.20177	100.0
289.43509	0.8
294.36603	0.9
325.14807	0.8
384.10199	0.7
428.13385	0.8
476.27881	90.4
485.23801	0.8
550.31366	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	550.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.9
60.38473	1.1
61.31178	1.3
65.21574	1.2
78.95909	18.9
92.38299	1.6
93.24787	1.3
93.87051	1.5
96.91019	1.5
110.28180	1.4
119.05017	5.7
122.98512	5.5
152.99564	6.8
163.03952	2.8
168.04330	3.0
221.26695	1.3
224.06923	10.2
249.22237	83.1
287.21149	1.5
293.21262	52.5
325.23758	12.5
351.85910	1.5
491.24185	2.0
550.31506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53122	1.8
52.61986	1.9
59.01384	90.1
67.34410	1.9
71.01385	4.1
71.56121	1.8
75.83228	1.7
89.02455	3.3
98.83965	2.5
103.40811	2.4
117.03497	2.6
119.04967	2.7
134.03732	21.3
135.04492	2.2
136.81358	2.1
137.02403	2.7
145.02965	13.9
147.04558	8.8
148.05240	2.4
149.06036	7.4
160.01671	24.4
161.02428	12.3
162.03209	28.5
164.04842	3.2
167.03700	2.4
175.03996	48.4
176.04863	3.9
177.05634	3.3
178.02678	3.0
191.07175	16.9
193.05063	38.5
205.05099	3.3
207.06610	2.9
229.26173	2.2
235.06131	27.5
265.07339	5.4
266.06180	2.6
268.07407	5.0
269.04547	8.8
280.07547	20.4
281.04584	37.9
284.06888	37.9
295.08344	8.2
296.06882	53.3
299.09262	80.0
300.26398	2.3
311.09299	100.0
329.10187	22.1
355.10266	4.1
418.21484	2.2
533.16711	53.3
539.00061	2.9
551.17725	62.3
551.25671	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	551.178
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
51.55448	1.3
55.48339	1.3
57.03461	2.0
59.01384	5.6
71.16364	1.2
98.15914	1.4
101.02454	6.1
113.02427	2.5
121.02907	2.5
133.02936	1.6
134.03751	18.4
135.04512	2.2
137.02493	2.3
149.06065	13.3
150.03214	31.3
150.84335	1.4
151.04015	2.1
154.10854	1.5
164.04802	3.1
165.05556	100.0
175.04016	18.3
176.04790	18.9
177.96761	1.4
178.02716	18.6
180.04269	8.4
191.07140	33.5
193.05055	74.3
195.06630	34.9
195.40480	1.4
209.04520	2.4
220.03714	2.5
228.74582	1.8
235.06108	37.4
265.07135	10.0
282.08838	2.6
295.08020	10.6
307.41101	1.6
319.99417	1.5
341.10303	6.1
389.12534	36.6
431.13443	26.8
461.14539	2.0
491.15649	17.6
551.18207	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	551.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.0
59.01374	8.0
62.65067	0.6
64.26683	0.7
71.01370	3.4
71.41772	0.7
81.23336	0.8
83.01379	3.2
84.16719	0.8
85.02934	8.8
87.00868	24.4
89.02430	9.4
91.31037	0.6
96.99290	0.8
99.00871	4.0
101.02452	7.4
111.00846	0.8
115.03971	3.6
129.01915	17.0
131.03432	1.5
136.99118	1.0
151.72264	0.8
159.02986	4.7
165.02049	0.7
191.01955	1.4
191.05623	3.1
207.05109	1.7
209.01161	3.4
209.03008	2.5
209.05138	5.1
209.06676	100.0
377.08670	1.4
454.68088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21996	0.4
59.01368	2.3
75.64684	0.7
93.03483	0.8
97.22955	0.6
97.60703	0.6
97.66557	0.6
117.03452	7.7
118.04237	8.8
119.05010	51.9
121.02937	10.9
122.03701	4.0
123.04485	3.5
130.25076	0.6
133.02980	4.8
134.03754	0.9
145.02956	2.9
149.02437	7.6
150.03212	84.6
151.03941	1.2
162.03250	6.9
163.03996	100.0
164.04788	4.6
165.05553	99.5
174.43085	0.6
177.05611	1.0
180.04272	10.0
181.05055	1.0
195.06624	34.6
344.66974	0.6
400.06204	0.6
409.13068	0.6
503.17105	10.8
533.18250	1.2
551.19263	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	551.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.7
63.80054	0.3
66.01316	0.4
93.03423	0.4
105.59454	0.4
109.94717	0.4
111.90290	0.4
121.02930	7.0
122.03706	4.0
127.00370	0.5
133.02943	1.8
136.01637	0.7
136.98715	0.5
139.00359	3.4
149.02414	8.0
150.03203	80.7
151.03957	0.7
162.03172	0.4
164.04762	5.5
165.05542	100.0
175.03951	3.8
177.05597	0.6
180.04257	9.7
187.03975	0.6
188.04828	0.7
190.02679	0.8
190.06296	3.8
195.06610	39.1
205.05089	0.6
221.04561	0.5
222.05304	2.5
235.02496	0.8
236.03229	0.9
249.03914	0.8
250.04808	0.7
251.05653	2.0
258.64966	0.4
265.08960	0.5
266.09344	0.9
267.06586	0.9
279.06668	4.5
281.08249	0.8
290.06049	1.3
291.06586	5.0
292.07407	4.1
293.08179	2.7
294.05817	0.7
294.08978	4.5
295.06091	15.7
295.09421	0.6
305.08139	0.5
306.08926	8.3
307.06113	29.2
307.09607	1.4
309.07651	7.1
310.08435	21.0
311.09222	1.7
321.07742	1.6
322.08475	14.7
323.09299	0.5
324.10101	1.8
325.10785	28.8
327.08545	0.5
337.10800	47.2
341.10144	0.5
343.11893	1.6
355.07693	0.4
355.11902	0.6
372.08405	0.9
373.09186	2.0
373.13251	0.9
410.97891	0.5
429.12717	1.9
443.11404	0.9
458.13782	1.7
473.15790	3.8
485.16354	0.5
503.17014	8.3
521.18115	6.1
551.19299	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	551.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47083	1.5
55.90766	1.7
57.03452	85.4
57.03722	3.5
59.01378	69.2
59.50307	1.6
59.79198	1.8
64.96697	2.0
71.01382	3.5
73.02944	1.9
82.06580	2.1
82.51108	1.6
83.01374	1.8
83.06454	1.6
92.38970	1.6
99.04508	65.6
99.05099	3.0
101.02431	24.4
113.02395	2.0
116.92803	6.5
119.05032	8.2
121.02969	2.1
125.02452	20.5
135.04572	11.5
145.02957	2.9
146.19765	1.8
161.04581	2.8
162.03267	3.4
163.03951	15.2
165.05664	4.5
176.04861	2.5
199.23785	1.9
263.15237	12.5
264.62216	1.9
305.16208	4.6
355.12210	2.7
367.12146	3.9
407.19235	55.9
407.24011	2.2
449.20584	12.5
524.09973	2.3
551.23926	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	551.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16628	2.2
55.86386	2.8
59.01371	4.7
63.02751	2.4
66.17297	2.4
66.98843	2.4
78.95916	4.4
89.14236	3.2
92.18372	3.3
98.74082	3.1
105.37985	2.7
108.74400	3.0
114.64548	2.8
123.25239	2.6
126.01900	2.9
130.64412	2.9
142.00066	2.7
156.02226	3.3
194.87044	3.0
208.53221	3.1
213.29997	3.0
255.23305	13.8
262.70883	3.0
388.93246	3.2
551.19806	24.6
551.29962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43389	0.2
59.01375	10.7
63.71986	0.2
65.06412	0.2
71.01385	1.3
73.02934	0.4
85.02926	0.4
87.00848	0.2
89.02429	2.1
101.02432	2.8
101.03034	0.3
113.02430	1.1
119.03502	0.5
121.30055	0.2
133.05061	0.3
138.06169	0.2
161.04524	1.0
179.05669	0.3
196.16389	0.2
235.08197	2.7
240.40279	0.2
253.09290	9.5
255.23280	100.0
269.24857	0.9
372.69116	0.2
491.32242	8.4
494.32733	0.8
551.34509	0.3
563.23077	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	553.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63435	0.3
51.73431	0.3
57.03434	0.9
59.01372	4.8
61.19440	0.4
71.01379	3.5
73.02953	0.7
74.42377	0.4
85.02884	0.4
85.86118	0.4
87.00862	2.2
89.02435	5.5
92.18925	0.5
99.04497	0.7
101.02422	3.3
105.95728	0.4
113.02439	3.5
113.24302	0.4
113.72859	0.4
117.03408	0.7
117.16395	0.4
119.03471	0.7
132.02061	0.5
134.03712	18.9
149.06044	5.0
160.01656	12.2
161.04579	0.7
167.03474	0.4
175.03979	50.8
176.04689	0.4
177.05351	0.5
178.02756	2.7
191.07117	5.7
192.53642	0.4
193.05046	41.5
207.06668	2.0
217.05042	0.5
218.40112	0.4
235.06108	13.0
265.07098	3.1
272.60730	0.4
295.08231	4.5
337.09183	2.2
355.10056	0.8
517.15607	100.0
553.13885	0.8
553.21417	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	553.1927
Annotation	Saletpangponoside C
Peak:m/z	Relative Intensity
57.03441	1.9
59.01377	12.1
71.01359	3.2
83.01378	3.2
89.02422	2.3
101.02409	3.4
106.52913	2.3
113.02435	4.0
116.75351	1.9
121.02901	3.6
125.02420	3.1
135.04492	2.5
136.05264	4.4
145.02914	2.0
149.02454	3.0
149.06091	2.9
150.03214	25.5
151.03984	10.7
161.04564	3.7
162.02000	1.9
164.04776	7.6
165.05537	69.7
178.02603	2.0
180.04295	2.3
181.05058	3.3
193.05042	8.1
195.06616	40.9
274.63913	2.2
275.10776	2.5
283.09515	2.4
311.09186	9.4
343.11835	43.2
391.13950	100.0
415.14066	2.7
433.14981	8.9
482.02219	2.4
493.16785	3.9
553.19696	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	553.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48558	1.2
59.01375	9.8
71.01359	1.7
79.00993	1.3
121.02945	7.2
130.96779	1.5
151.04005	1.7
167.03458	2.5
177.05486	1.6
225.05507	5.7
240.07916	16.8
241.05009	10.0
255.06625	100.0
256.07416	16.4
270.08960	81.5
271.09711	22.1
301.10806	82.8
306.85892	1.6
351.80704	1.5
493.24396	3.4
553.17767	1.6
553.26691	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	553.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
67.46302	0.4
68.99889	0.3
70.08702	0.4
82.05358	0.4
93.03436	0.7
95.88692	0.4
108.02151	0.6
121.02928	1.9
122.03760	4.7
122.70001	0.4
123.04501	0.8
133.02951	0.8
140.38536	0.4
149.02429	8.2
150.03215	74.3
163.03986	0.4
164.04817	5.6
165.05557	100.0
179.07111	0.7
180.04285	10.2
190.06371	0.8
193.05116	0.8
195.06624	60.9
203.07057	0.6
269.08051	0.9
277.08783	0.4
279.06500	0.6
281.08200	1.8
293.08130	0.6
294.08942	2.4
295.09756	0.9
296.10278	0.7
297.07657	5.2
298.08475	0.5
308.10739	0.6
309.07791	10.2
309.11188	1.7
312.10062	7.7
324.10059	8.0
327.12372	20.2
331.19199	0.7
339.12372	20.3
431.15125	1.5
459.14648	0.5
475.17438	0.8
484.91760	0.5
491.29599	0.5
493.18546	0.7
493.25089	0.6
505.18723	13.0
523.19885	3.7
535.19611	2.1
553.20813	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	553.2085
Annotation	Cerberalignan D
Peak:m/z	Relative Intensity
59.01386	9.7
62.31223	1.0
68.99812	2.6
89.92820	1.4
96.61971	1.2
105.36315	1.2
107.05016	4.5
108.02160	9.6
109.02916	2.2
122.03693	2.1
123.00872	6.8
123.04512	19.9
123.99227	1.2
132.02165	1.8
134.03726	3.0
135.04515	26.4
136.01656	1.7
137.02448	8.2
146.03752	9.1
147.04486	1.5
149.02419	6.4
149.06042	2.5
150.03230	17.6
151.03992	6.4
153.05646	1.3
160.05341	1.8
161.02379	3.0
161.06059	6.1
162.03259	2.6
163.04039	11.8
164.04875	11.4
165.05556	18.2
167.03484	1.4
175.04086	1.7
175.07640	4.5
177.05576	27.1
178.02710	26.1
178.06335	2.8
179.03520	2.0
179.07138	23.6
180.04341	1.7
193.05072	31.8
195.06671	1.9
218.71419	1.2
225.05621	7.8
226.06316	1.6
228.63263	1.3
237.07643	2.6
240.07922	31.9
241.05057	6.5
256.07346	16.6
271.09814	21.3
273.11368	1.6
301.10867	9.6
303.12393	21.2
329.13907	5.7
331.19141	12.1
339.08853	1.9
343.11929	2.8
351.99292	1.4
357.13669	4.8
369.13370	2.9
409.01166	1.4
493.18842	2.6
505.19037	8.6
523.19727	35.2
553.20825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	29.2
71.01379	6.5
71.10992	1.5
71.88906	1.4
87.33384	1.3
88.98676	1.4
89.02430	7.6
101.02440	3.1
119.03510	2.1
119.04984	1.3
134.03732	2.4
177.23126	1.3
178.02852	1.5
179.05595	7.7
181.05006	3.1
183.84181	1.4
193.05075	3.3
210.64073	1.6
269.19138	29.2
287.20108	2.2
328.80841	1.4
331.19144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26917	0.4
59.01385	26.1
59.42025	0.4
71.01382	3.5
73.02934	4.2
80.31892	0.4
83.01387	2.0
85.02948	1.7
89.02431	2.3
91.84318	0.4
101.02436	1.8
112.76366	0.5
113.02455	2.6
119.03509	1.0
132.66278	0.4
150.03157	0.6
161.04564	1.9
163.03894	0.5
165.05574	2.3
167.77856	0.5
179.07080	0.7
179.17140	0.4
189.05589	0.7
195.06648	1.6
225.05611	3.0
226.06375	0.6
240.07866	6.1
241.05125	1.9
256.07394	8.1
257.18896	0.7
269.19193	1.7
271.09808	8.1
271.17004	0.8
287.20197	5.3
313.18204	0.8
331.19189	100.0
345.20795	4.2
346.78125	0.5
355.19431	0.8
373.20096	4.4
385.20453	0.6
493.24472	7.3
523.19763	5.7
553.27216	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	553.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54601	0.9
52.63311	0.9
56.99361	0.8
59.01380	49.7
71.01376	4.8
71.62246	1.1
72.02160	1.1
73.02925	7.3
75.00847	2.2
80.79877	1.0
82.07494	0.9
85.02879	1.5
89.02433	1.0
92.18332	1.8
94.48349	0.9
99.62288	1.1
101.02428	1.4
113.02430	2.3
135.61902	1.1
147.04330	1.0
150.03137	1.0
153.05496	1.4
160.95380	1.1
161.04585	1.5
162.03238	1.0
162.08585	1.3
163.04002	1.3
165.05547	2.0
177.05562	1.5
178.25713	1.1
185.42358	1.1
193.05006	4.4
269.19055	4.6
287.20200	9.7
313.17953	1.1
331.19138	100.0
345.20712	5.3
355.18970	6.1
373.20093	3.8
493.24109	9.9
553.17084	10.9
553.26447	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97400	1.8
57.15979	2.1
59.01366	12.3
75.00877	2.4
78.95865	2.5
107.04990	9.7
109.06576	51.2
152.99603	3.7
163.03966	2.3
184.16930	2.5
191.03218	4.2
193.04756	3.5
196.67499	2.4
199.13336	2.5
199.17020	41.8
209.22971	2.5
223.51141	2.4
268.51346	2.5
369.89859	2.9
377.28268	4.5
425.30460	2.9
427.31992	3.3
449.30478	35.7
471.31149	3.6
481.02960	2.6
493.22388	4.0
493.29367	100.0
553.41827	3.5
569.02057	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
61.12032	0.5
63.63306	0.5
69.03436	4.3
71.05017	0.6
83.09397	0.6
85.09769	0.5
85.83970	0.6
118.88993	0.6
123.08065	0.9
125.09686	2.5
151.11261	5.8
153.12866	2.2
161.09714	5.7
179.07417	0.6
179.10744	16.0
197.11832	77.1
222.64069	0.7
223.09680	1.1
241.10834	6.3
255.23285	72.2
281.24689	0.8
297.13428	1.3
315.14435	3.0
333.92203	0.7
373.43903	0.7
553.37488	100.0
553.99573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63740	0.4
59.01374	2.6
61.98830	0.4
72.20737	0.4
77.46846	0.5
78.95889	3.1
88.34135	0.4
106.04111	5.4
110.98555	0.5
140.97635	0.5
167.01149	0.9
168.04242	0.7
169.48825	0.5
242.07990	2.8
277.21780	0.7
279.23270	100.0
298.28308	0.5
447.24939	0.6
453.28412	0.7
469.23700	0.6
495.29425	0.8
504.30954	54.6
554.18823	0.6
554.30157	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	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15876	0.2
50.72781	0.2
59.01376	12.0
62.27328	0.2
78.95888	7.7
85.38357	0.2
99.03845	0.2
99.25418	0.2
107.88485	0.2
132.76167	0.2
152.99564	2.4
168.04265	2.8
200.56801	0.2
224.06915	8.3
240.69608	0.2
242.07935	1.3
255.23274	100.0
288.80869	0.2
317.71286	0.2
390.83731	0.2
398.09500	0.3
480.30927	77.1
495.27493	0.3
554.34833	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	555.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	9.8
71.92678	5.8
75.53798	4.9
81.02673	5.1
101.84618	5.1
107.05028	22.6
125.90357	5.3
134.03732	7.3
135.04535	93.5
165.05588	8.8
165.84930	5.8
195.06616	6.8
299.02054	56.9
314.04407	100.0
329.06689	99.3
333.20712	12.0
365.12683	5.9
394.06189	6.2
495.13162	96.3
495.26923	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	555.1644
Annotation	Claussequinone-(4->5')-vestitol
Peak:m/z	Relative Intensity
51.33185	3.8
51.71646	3.4
59.01372	17.2
66.16103	3.3
71.01385	7.1
88.32021	3.5
89.02383	4.0
101.02431	9.6
113.02428	7.2
121.02962	4.6
135.46619	4.3
137.02451	5.6
161.70721	3.9
165.05620	4.6
176.20645	4.1
178.02768	5.4
179.56329	4.4
193.05167	17.0
202.78740	4.4
324.10034	5.9
324.46304	4.5
327.12366	20.4
339.12292	26.2
386.46875	4.2
411.18637	8.0
427.39029	4.2
555.16260	100.0
555.22791	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	555.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93345	1.0
52.62286	1.3
52.71384	1.1
54.44825	1.1
54.72650	1.0
55.08108	1.5
56.46154	1.0
57.59236	0.9
58.00607	1.9
59.01381	10.3
63.72536	1.2
65.34605	1.3
67.57465	1.1
71.01385	5.3
77.54449	1.5
85.02958	2.3
87.00866	1.7
92.19013	1.6
97.99579	1.2
100.58235	1.2
101.02450	8.0
108.85296	1.0
111.00914	1.6
113.02429	5.3
113.38031	1.2
115.72254	1.2
121.02959	6.6
123.04491	1.7
126.07361	1.3
137.02425	1.4
138.03198	2.5
139.04047	1.7
145.02965	5.3
145.08755	2.4
147.72537	1.3
149.02448	16.4
150.03226	37.3
151.04007	6.1
152.13268	1.3
153.05574	16.3
161.02425	2.5
162.03239	7.1
163.04088	1.9
164.04784	19.3
165.05559	42.1
179.03474	3.0
179.55643	1.2
180.04294	1.6
181.01480	7.1
182.02245	14.8
183.03021	8.4
195.06615	14.5
196.03764	2.0
197.04581	56.1
222.65642	1.4
225.04175	2.6
225.83612	1.5
249.13448	1.4
326.06406	10.4
341.08801	51.5
411.18729	6.2
507.15115	100.0
511.20361	5.6
537.16162	19.4
555.16827	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	555.1871
Annotation	CHEBI:67625
Peak:m/z	Relative Intensity
52.05017	1.3
56.37107	1.4
59.01374	15.1
61.98828	2.6
65.46633	1.5
69.13387	1.5
71.01375	4.2
89.02429	1.9
101.02416	3.4
101.48058	1.6
102.94743	1.7
122.03711	2.5
133.03011	2.0
148.51767	1.7
149.02425	12.4
150.03191	61.7
151.03677	2.7
163.03981	1.9
164.04771	11.2
165.05537	100.0
165.06934	3.5
166.06061	2.0
180.04199	11.7
181.08757	2.9
195.06592	28.5
196.03741	3.2
219.13763	1.8
269.07898	2.4
281.04449	2.3
283.06000	2.1
283.09625	1.7
295.05951	12.3
296.07013	2.1
297.07617	4.1
298.05103	1.9
299.05627	13.3
299.08719	2.0
301.10367	1.7
303.12466	2.1
310.08395	3.3
311.05682	14.7
313.07217	9.8
314.08051	12.7
315.08630	2.2
326.07855	4.1
327.08636	1.9
328.09561	2.9
329.10217	18.5
333.20776	9.5
341.10306	25.6
345.13031	2.2
417.25327	1.8
462.12494	1.7
477.15442	8.6
495.26004	19.5
507.16592	25.5
525.17786	2.6
555.18634	57.6
555.27405	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	555.2239
Annotation	Ehletianol C
Peak:m/z	Relative Intensity
59.01379	6.3
61.57013	0.4
61.98836	0.5
69.23557	0.4
71.01372	2.0
73.02938	0.7
80.17442	0.4
89.02420	0.7
101.02442	0.9
113.02435	1.8
119.04976	2.1
121.02920	2.0
122.03727	3.2
123.04507	0.9
133.02934	3.3
134.03726	0.7
135.04492	1.1
136.01579	0.6
136.88110	0.4
147.04518	1.1
149.02417	11.4
149.06024	1.0
150.03206	61.5
151.03918	1.1
159.04524	0.8
160.05267	4.3
161.04628	0.6
161.06079	1.0
163.04013	2.7
164.04785	8.0
165.05556	100.0
166.06024	1.8
173.06125	0.7
175.07642	5.6
177.05527	2.8
178.06342	5.6
180.04297	9.0
181.05106	0.6
181.08701	0.6
184.36893	0.5
191.07216	0.6
192.07951	3.7
193.08743	0.7
195.06621	40.9
237.37419	0.5
241.76154	0.5
285.04419	0.5
285.11417	0.8
296.10193	0.7
297.11121	2.4
298.08444	1.1
307.58438	0.5
310.08395	1.0
313.10767	1.8
314.11389	0.9
329.13953	18.3
333.20651	6.4
429.12787	0.5
431.14743	1.0
433.16302	0.7
447.17981	2.3
459.18298	0.5
462.16949	1.8
477.19235	16.1
495.25720	5.9
507.20117	18.2
525.21320	37.3
537.21075	2.0
555.22070	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	555.2296
Annotation	Urabaine
Peak:m/z	Relative Intensity
54.08322	2.9
57.03447	42.3
59.01382	73.4
61.98827	51.3
63.70340	2.8
71.01376	46.5
73.02940	25.9
83.01380	29.2
84.03159	2.9
85.02937	29.2
85.06733	3.0
86.30264	3.9
89.02451	18.5
95.08342	3.2
99.00896	8.1
99.04515	17.0
101.02435	74.9
101.03462	3.2
109.14690	3.1
110.33086	3.1
113.02450	33.8
118.97973	3.4
119.04987	4.4
125.02449	18.5
135.04547	5.0
149.06169	4.7
151.03976	6.0
161.04561	17.5
178.02762	7.1
181.05069	4.9
193.05098	14.8
224.43341	4.0
249.13403	35.0
393.17715	32.4
411.18787	85.7
453.19806	44.3
493.23688	4.8
555.22980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3308
Annotation	Globostellatic acid C
Peak:m/z	Relative Intensity
55.16714	0.5
58.31757	0.5
59.01353	0.5
59.09776	0.5
79.00213	0.6
82.32582	0.5
83.02512	0.9
107.05029	7.5
109.06581	63.4
109.94574	0.6
123.04521	0.8
135.26642	0.6
151.04039	0.7
162.03027	0.8
173.00745	0.6
173.02168	1.3
179.14389	0.6
179.60455	0.6
191.03250	8.0
193.04825	7.8
205.01213	0.8
237.03683	0.9
255.23289	0.8
357.31705	1.3
359.13528	0.6
383.33170	1.2
385.34897	1.0
399.32599	8.8
411.32709	5.2
427.32147	3.5
429.33597	4.6
451.31976	47.7
469.32568	0.8
473.32715	2.8
479.28250	0.7
495.30966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13637	2.0
51.42143	1.9
72.85741	2.0
83.04991	3.1
83.90606	2.3
87.47873	2.2
99.00861	17.4
105.03706	2.4
109.58985	2.3
125.09687	11.7
157.08252	3.1
163.11295	16.4
181.12335	32.2
199.13426	13.3
207.10248	24.8
225.11382	49.7
243.12375	20.9
255.23341	50.0
317.16144	5.8
352.49219	2.7
429.33319	3.2
432.51373	2.6
498.53348	2.5
555.31335	4.1
555.39203	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	556.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95893	10.7
92.23130	0.2
102.21050	0.2
120.38954	0.2
126.85835	0.2
140.01178	29.3
152.99574	9.4
171.00600	0.8
185.94002	0.2
214.04866	100.0
220.82094	0.2
556.16919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71125	0.4
56.52033	0.4
61.98823	1.0
74.56654	0.4
78.95884	7.1
86.30350	0.5
106.04136	0.6
152.99550	1.8
168.04309	3.5
183.88351	0.5
224.06937	8.2
242.08055	1.0
255.23273	0.4
256.23508	0.9
281.24841	100.0
391.81250	0.5
482.31616	2.2
506.32489	58.2
508.78677	0.5
556.32025	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	557.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87700	1.1
54.00176	1.1
57.03451	91.9
57.78840	1.2
58.55697	1.2
59.01380	88.7
60.41329	1.0
62.98206	1.2
67.44897	1.2
68.66410	1.2
71.01376	9.6
73.02919	2.8
76.23786	1.1
83.01402	2.9
85.02922	2.5
86.77387	1.3
89.02414	2.8
99.04511	83.3
101.02428	35.5
113.02438	8.6
125.02428	26.1
143.03496	4.9
144.97694	1.4
147.37007	1.2
161.04539	12.6
165.05707	2.3
242.53589	1.6
269.10336	12.4
271.94437	1.7
311.11310	9.6
335.18762	6.9
366.03458	1.5
413.14584	77.0
415.28821	1.8
455.15845	13.3
473.16769	2.3
497.27963	12.6
557.18823	100.0
557.28290	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	557.2089
Annotation	Trigilletimine
Peak:m/z	Relative Intensity
51.98923	0.5
55.01867	0.5
56.31982	0.4
56.49132	0.4
57.03451	16.3
59.01378	19.8
62.71568	0.5
66.12232	0.4
71.01378	20.2
72.99311	0.5
73.02937	7.0
73.49608	0.5
75.00864	10.0
78.88865	0.5
81.03429	0.6
83.01380	4.2
85.02943	17.8
87.00873	1.0
87.04506	0.6
89.02436	15.4
89.06068	4.3
91.35718	0.5
95.01367	1.9
97.02908	0.9
99.00873	2.5
99.04503	4.9
99.87510	0.5
101.02437	36.5
103.17854	0.5
105.95467	0.5
113.02439	13.3
119.03480	4.9
124.01649	1.8
125.02423	9.3
125.06116	0.4
131.03461	0.5
143.03493	3.1
159.02969	3.3
160.04021	2.6
161.03168	0.7
161.04541	20.5
162.05588	2.2
179.05600	1.0
191.35875	0.5
206.04597	1.0
251.11375	23.5
280.55325	0.6
281.41040	0.5
293.12320	0.7
395.15506	4.8
413.16684	33.4
439.47910	0.5
455.17734	9.8
495.20972	2.8
557.20911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	30.4
64.29647	2.0
71.01381	4.8
78.95897	4.8
89.02416	3.1
96.95990	12.5
96.96966	10.9
100.77001	2.4
101.02420	9.3
108.53669	1.9
108.54382	2.4
111.01023	2.1
113.02431	3.7
118.86935	1.8
121.02913	3.3
122.03687	10.5
133.02922	4.3
135.04550	2.4
135.91469	2.1
149.02438	8.8
149.06073	4.8
150.03195	64.6
151.03835	2.1
161.05978	2.5
164.04784	3.4
165.05536	100.0
177.02747	2.3
179.07126	3.5
180.04274	5.1
195.06595	29.3
207.54829	2.0
335.18661	4.4
335.22357	9.5
346.14011	4.2
347.14966	3.0
361.16571	30.1
479.19913	9.5
497.27591	23.5
509.21933	31.7
521.21582	3.2
527.21906	3.4
539.23047	12.1
557.23651	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	558.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01602	0.5
78.38938	0.5
78.83495	0.5
78.95901	7.0
86.18384	0.6
106.04104	3.5
121.33985	0.6
140.53909	0.6
152.99576	1.4
168.04288	3.2
204.94470	0.6
224.06886	7.5
242.08109	1.0
283.26416	100.0
292.67059	0.6
368.86111	0.6
397.32712	0.7
508.34055	70.9
558.33240	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	559.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73039	1.3
56.75640	1.4
59.01380	12.9
59.51876	1.5
68.84441	1.6
71.01382	4.1
73.02952	2.7
79.89812	1.4
83.01391	2.0
87.00842	2.1
89.02440	9.0
101.02462	3.2
105.32122	1.5
113.02423	3.8
131.07164	3.8
132.02174	3.2
134.03673	2.3
137.02464	3.7
160.01625	50.7
161.00920	1.6
162.01991	1.8
163.03946	1.6
173.08163	1.7
175.03987	100.0
193.04959	3.0
238.07944	1.7
329.10291	2.4
395.01389	2.3
485.64270	2.0
499.14838	2.6
559.16595	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	559.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21251	1.0
56.34107	1.0
59.01378	11.1
64.77485	0.8
65.57111	0.9
67.64775	0.9
71.01376	2.1
75.61155	0.9
79.67267	1.1
80.96493	1.0
82.55141	0.9
92.18369	1.3
101.02435	1.6
108.02150	15.0
113.02393	1.4
113.68138	1.0
123.04491	15.9
128.41502	1.0
131.07108	1.5
145.02908	1.2
149.02527	3.8
150.03206	21.9
151.03972	4.7
152.01135	43.6
160.95181	1.1
162.01918	1.6
165.05536	34.8
166.02634	1.6
167.03471	100.0
173.08170	1.7
175.03954	1.8
180.04332	1.8
181.05104	1.3
193.04979	2.0
195.06607	6.3
246.79388	1.1
276.98679	1.0
332.79044	1.1
361.16595	1.7
431.57550	1.2
499.29114	2.3
541.17285	1.7
559.18085	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	559.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54192	0.1
58.62185	0.1
59.01384	0.6
60.47130	0.1
73.77796	0.1
94.99696	0.1
261.22272	0.3
269.37817	0.2
270.85077	0.1
279.23300	100.0
505.02081	0.2
559.47131	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	560.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61490	0.7
59.01379	1.6
63.58880	0.8
69.18286	0.8
70.85981	0.8
89.02418	1.1
113.02462	1.0
142.95193	0.9
183.55322	0.8
210.35765	0.8
213.78133	0.9
214.04872	0.9
253.09317	9.5
277.15775	0.9
281.24844	100.0
369.01480	0.9
459.33240	0.9
517.33948	10.6
560.33856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57281	0.8
55.92175	0.8
72.84225	0.8
73.43679	1.2
75.73580	0.9
86.59753	1.0
149.02432	1.4
150.03221	38.6
150.04167	1.4
152.19429	1.1
157.89378	0.9
164.04817	2.2
165.05563	80.2
180.04323	9.1
188.85362	0.9
195.06625	14.3
207.27095	1.2
285.04053	1.2
299.01981	34.1
313.03485	8.0
314.04355	75.4
328.05902	5.5
329.06680	84.4
525.14069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05993	1.5
51.56581	1.5
59.01374	3.4
63.96519	1.8
65.22092	1.6
67.32610	1.7
71.01399	2.8
73.79914	1.8
77.24719	1.6
78.51231	1.7
83.98939	1.7
89.02437	8.8
95.72585	1.8
99.51026	2.0
101.02408	2.4
106.70374	1.8
109.02952	2.6
113.02416	2.7
123.04514	3.1
133.02951	79.2
144.04550	3.6
151.04050	4.0
157.07758	3.0
159.04520	2.4
160.17519	1.8
161.02415	3.0
162.01910	2.0
175.03944	2.3
177.01987	21.1
187.04041	8.1
189.05492	3.4
195.03004	2.8
203.03687	1.8
219.02989	27.4
219.07726	23.4
321.06110	3.0
421.98270	2.0
496.66028	1.8
501.12488	100.0
534.48138	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51935	0.5
53.75850	0.6
59.01363	0.7
73.09538	0.7
74.02065	0.7
78.95895	7.6
92.19053	0.9
100.60885	0.7
119.81470	0.8
152.99519	4.4
167.01114	1.5
168.04274	3.7
174.44304	0.7
224.06883	9.0
242.07889	0.9
255.23323	8.6
256.23584	8.3
263.27139	0.7
279.23264	100.0
290.01236	0.8
339.12076	0.8
423.25195	4.0
424.25256	5.0
504.30942	98.6
561.32971	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	561.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98489	1.4
59.01380	8.8
71.01363	7.6
72.99313	2.1
73.54012	1.2
75.00863	10.9
75.31501	1.4
78.41734	1.4
85.02943	9.5
86.80891	1.4
87.00877	2.3
95.01400	2.2
96.05343	1.6
99.00879	6.0
101.84896	1.5
113.02470	16.2
117.01958	1.9
119.96096	1.4
175.02415	1.7
199.02402	1.5
249.06241	9.2
310.45285	1.5
311.29578	84.4
561.36499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14930	46.7
57.01360	59.7
57.51490	54.6
58.72474	46.4
59.58378	54.8
67.50593	49.7
68.65849	54.2
71.43072	52.5
92.33691	53.2
94.68919	52.7
135.80594	51.5
148.91321	65.1
193.86925	62.0
209.02153	65.8
327.12460	100.0
339.12161	68.9
354.64078	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	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75966	0.2
58.17506	0.2
66.54364	0.3
68.04520	0.3
70.36140	0.2
71.02483	0.3
90.43973	0.3
92.86774	0.3
93.46961	0.3
106.48909	0.3
109.97250	0.3
113.93108	0.3
117.03393	1.9
118.41162	0.3
149.02429	0.5
161.02393	0.5
163.04066	0.4
191.03502	3.0
203.03575	0.3
215.03453	0.3
221.04593	1.5
233.04604	1.2
245.04561	0.4
259.02600	0.4
282.05371	0.6
283.06137	1.1
286.62659	0.3
295.06058	0.5
296.06885	2.0
297.07614	7.0
307.06107	1.4
309.07770	0.5
311.05496	3.7
321.04266	0.4
323.05652	3.0
324.06390	1.6
325.07117	9.2
328.05859	1.0
335.05569	2.7
337.07156	2.5
341.06625	1.4
351.05029	0.5
353.06638	53.9
355.08197	1.8
356.05469	0.6
365.06573	5.8
367.08026	0.4
377.06641	0.4
379.07986	0.5
381.06180	0.4
381.41650	0.3
383.07700	36.8
395.07666	6.4
407.07623	1.3
413.08817	5.1
425.08887	2.7
443.09604	3.5
455.09451	1.0
473.10641	3.3
563.14026	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	563.1406
Annotation	Isomollupentin 2'-O-glucoside
Peak:m/z	Relative Intensity
57.03440	0.7
59.01110	1.2
59.01382	23.1
62.09001	0.7
68.93427	0.8
71.01370	11.0
71.96047	0.8
80.51381	0.8
85.02921	1.6
89.02444	10.2
101.02429	6.8
113.02401	3.7
119.03486	1.5
120.40121	0.9
132.47617	0.9
134.03696	0.9
161.02571	0.9
269.04504	4.0
281.04413	1.5
282.05276	4.5
293.04544	40.4
311.05597	4.2
316.07825	0.9
323.05508	5.3
335.05539	3.6
337.07162	1.3
341.06644	5.8
353.06625	1.3
365.06662	1.1
383.07703	25.3
493.66837	0.9
563.14050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.9
66.42097	0.7
71.01350	4.3
83.47569	0.7
85.02937	0.8
87.00858	1.8
87.95302	0.8
89.02418	6.9
101.02415	3.9
113.02416	4.2
117.03413	1.5
119.03460	1.6
134.03723	20.9
149.06000	5.9
160.01617	12.9
175.03969	60.1
176.04745	0.9
178.02654	1.6
191.07137	6.3
193.05049	47.9
194.73811	0.8
195.42787	0.8
207.06665	2.9
221.04518	1.4
231.75226	0.9
235.06093	17.2
247.70390	0.8
265.07153	1.6
295.08316	1.7
296.06827	1.4
297.07660	8.1
311.05490	3.1
323.05679	1.6
324.06308	1.2
325.07196	10.6
337.09659	1.2
341.10590	0.8
353.06625	51.7
365.06689	6.2
383.07654	30.2
395.07544	3.7
413.08804	4.6
425.08731	1.1
437.08707	1.0
443.09802	3.0
473.10828	1.8
476.80679	0.9
496.49677	0.9
503.16180	1.3
517.07452	1.2
517.15576	98.0
563.14014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45709	0.6
59.01383	25.9
71.01378	18.2
71.61275	0.7
71.89928	0.7
73.02933	1.5
83.01312	0.7
85.02952	3.1
85.68340	0.7
87.00867	9.0
88.47560	0.6
89.02437	46.7
92.19032	1.4
95.01357	0.8
97.02995	0.9
99.00823	0.7
101.02440	19.8
111.00851	0.7
113.02441	12.1
117.01936	1.1
119.03503	7.6
129.01921	1.7
131.03398	2.0
143.03528	3.4
161.04582	7.4
168.03381	0.9
179.05608	13.8
183.96786	0.8
220.08354	1.5
221.01022	1.0
221.03093	2.6
221.06674	32.7
222.21375	0.7
223.23795	0.7
271.80673	0.7
303.55881	0.8
308.89200	0.7
341.10934	3.7
350.14215	0.8
503.16241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09537	1.4
53.88808	1.4
57.59038	1.7
59.01381	2.4
60.45613	1.6
71.79134	1.6
79.98750	1.7
99.04758	1.9
113.61773	1.9
117.03503	2.2
119.05022	2.6
121.02961	12.0
134.03741	54.1
149.06058	15.9
160.01552	2.2
178.02740	23.1
179.07133	2.3
193.05070	100.0
215.24516	2.0
256.98984	1.8
268.07608	1.8
283.09799	6.5
296.07019	3.0
308.07242	2.2
309.07758	2.2
309.89438	1.7
311.09482	3.1
322.08374	4.2
323.09241	21.9
324.06268	6.5
324.09821	3.8
338.11691	2.4
339.08780	78.6
354.11166	6.8
369.13431	50.0
531.95087	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	563.1924
Annotation	Kadsuphilol B
Peak:m/z	Relative Intensity
53.01364	0.3
56.67976	0.4
59.01372	0.7
66.24823	0.4
69.59756	0.3
80.36019	0.4
84.26885	0.3
87.09513	0.4
87.77657	0.3
93.03466	0.4
111.00861	1.5
115.32813	0.4
117.03450	3.3
118.04195	2.6
119.05008	99.5
121.02947	3.6
123.04524	2.0
126.90981	0.3
133.02919	0.9
135.04546	0.4
138.03209	0.4
145.02937	4.8
153.66943	0.4
162.03221	1.9
163.03999	98.0
173.09373	0.4
177.05489	0.5
179.03461	0.6
203.03468	1.8
218.05794	0.5
233.08255	2.0
243.06429	0.4
255.03018	0.5
273.04193	0.4
287.05612	34.5
288.06204	2.2
289.07266	0.9
302.07962	56.1
303.08594	5.0
315.08780	0.6
317.10287	29.0
318.10632	2.1
330.11090	0.4
357.19995	0.4
385.13043	3.2
399.14795	0.4
431.13669	0.8
498.29401	0.5
563.19244	100.0
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
54.98273	0.7
59.01388	0.8
62.57488	0.6
66.89129	0.8
71.01385	8.7
72.99284	0.9
73.02952	1.0
84.65903	0.8
85.02926	0.9
101.02468	1.4
101.84537	0.8
111.97424	0.8
113.02439	1.8
115.00368	1.8
119.05058	1.0
122.03719	0.9
123.00835	1.7
124.01648	5.1
126.28654	0.8
136.05325	1.1
139.03990	7.2
149.02428	1.5
149.85530	0.9
150.03276	3.3
151.04030	1.0
159.04533	4.1
160.05266	17.3
161.04570	3.3
161.06096	1.3
163.04030	5.1
164.04787	5.0
173.06110	1.6
175.04042	0.8
175.07629	30.4
175.09048	1.5
177.05563	6.2
178.06352	17.5
192.07916	10.9
193.08731	4.1
301.09247	4.8
314.11484	1.4
329.13965	100.0
359.15012	15.0
397.27405	0.9
399.09232	7.7
417.10480	3.2
548.05829	1.0
563.15839	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	563.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16267	1.6
55.79127	1.7
56.27052	1.8
59.01381	100.0
64.03913	1.5
69.77272	1.5
70.03795	1.7
71.01379	9.8
73.02932	2.8
85.02942	4.3
91.32766	1.6
101.02428	7.7
110.57021	1.5
113.02432	2.4
114.93436	1.7
124.81607	1.6
252.76189	1.8
258.25333	1.9
258.28384	1.6
272.40424	2.2
282.63382	1.9
365.92035	2.1
459.92963	1.9
477.25131	4.2
519.26001	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	564.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44673	0.3
54.50651	0.2
59.01380	4.5
69.82394	0.3
71.01381	3.4
72.01687	0.4
72.99312	0.4
74.99093	1.2
78.95926	0.3
87.00867	1.6
89.02436	7.2
90.02769	1.4
101.02428	3.3
102.02759	0.5
107.73854	0.3
108.04559	2.0
113.02415	2.3
113.53972	0.3
114.02792	0.4
119.03477	0.7
131.03491	1.3
132.04572	0.5
134.02473	5.4
134.06120	4.7
146.04565	0.7
148.04024	0.3
150.05595	48.0
159.03282	0.4
160.04028	47.8
161.04504	0.6
162.01959	87.4
163.00684	0.6
176.03514	4.5
178.05099	6.3
179.05605	1.7
187.77208	0.4
194.74886	0.3
221.06700	3.4
222.04079	100.0
329.53226	0.3
341.11005	0.5
405.41742	0.3
503.15894	1.7
504.16516	12.2
564.16052	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	564.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65510	0.2
54.38734	0.2
54.60215	0.2
56.84293	0.2
63.89981	0.2
88.51349	0.2
92.19061	0.4
95.05016	1.3
102.88428	0.2
105.67131	0.2
112.07680	12.4
112.08456	0.4
113.06071	3.0
129.10333	7.4
130.08727	16.9
137.07207	0.3
153.10268	0.2
177.56276	0.2
188.07579	0.2
197.16620	0.6
207.13179	0.4
207.15030	6.9
208.13425	1.2
224.17706	7.4
225.16089	24.0
242.18739	1.4
266.18524	0.3
320.23416	5.5
337.26099	6.8
338.24542	4.6
356.26105	0.2
398.48663	0.2
433.32065	2.4
450.34534	5.5
451.32840	0.5
492.35626	0.3
504.34503	0.3
546.40247	9.4
564.41321	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	565.1719
Annotation	Monodictyochrome B
Peak:m/z	Relative Intensity
57.12318	2.7
57.18260	2.8
58.12495	3.0
59.01382	6.3
65.84620	3.7
68.99815	7.1
108.02172	18.1
109.02943	5.9
121.02985	4.6
123.00846	6.6
123.04543	21.7
136.01691	5.7
147.04483	4.8
149.02470	4.4
150.03204	7.8
151.03969	8.9
161.02483	6.4
162.03262	6.0
163.04022	14.8
174.03206	4.4
175.03897	6.2
177.05576	29.7
178.02737	50.5
193.05069	49.5
281.08191	6.2
296.10638	6.5
297.11508	7.4
299.02042	4.2
422.96872	4.0
491.16943	6.6
521.18256	48.9
542.64240	4.6
565.17126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96080	1.7
57.03452	4.4
57.22533	1.8
58.66006	1.9
59.01379	11.8
71.01366	3.1
92.85863	2.2
99.04519	2.8
101.02488	2.5
113.66326	2.1
116.92805	4.6
119.03555	2.4
123.04463	3.1
137.02380	2.3
139.03949	3.4
147.04514	2.5
148.05264	2.8
151.03975	8.2
159.04463	3.4
160.05299	19.8
161.05951	3.1
164.04805	4.2
165.05626	8.3
166.06348	3.1
175.07674	27.4
177.05472	4.9
178.06349	12.9
191.07118	5.5
192.07950	10.6
203.63722	2.4
268.83871	2.2
270.95416	2.4
299.09320	4.8
309.07849	3.5
312.10080	4.0
313.10901	3.2
314.11575	22.3
327.12363	9.2
329.13919	14.7
339.12451	3.2
359.15009	100.0
361.16635	21.1
379.41849	2.5
403.14096	9.0
492.77686	2.5
521.20313	11.6
535.38452	2.3
565.19153	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	565.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02996	0.6
59.01387	0.7
74.16828	0.5
82.02945	0.9
84.04534	0.6
86.02473	13.6
88.04033	1.0
92.19051	0.8
96.15687	0.6
102.98591	1.2
104.07874	0.6
113.27377	0.5
116.48534	0.7
120.01245	13.6
121.02900	0.7
127.05114	3.3
127.08772	19.3
127.67443	0.5
128.03535	100.0
153.06694	6.6
171.07751	56.1
179.04605	1.0
197.19495	0.5
203.60103	0.6
215.06761	3.3
231.04453	6.4
233.61877	0.5
249.05502	85.7
303.19653	12.3
425.61966	0.6
428.23929	0.6
565.17169	1.5
565.25867	31.5
592.88745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1724
Annotation	Mulberroside A
Peak:m/z	Relative Intensity
51.17513	1.7
53.69204	1.6
58.17606	1.8
59.01387	2.4
74.93123	2.0
90.41812	2.2
94.13346	2.3
109.80576	2.3
123.04494	5.3
125.02454	11.3
139.01837	2.2
139.04001	9.5
150.16585	2.4
165.05527	4.0
167.03500	36.9
177.05594	5.0
179.03476	3.8
189.05511	2.3
197.04576	12.3
209.04582	42.5
211.29297	2.3
221.04611	8.8
239.05617	22.1
251.05637	5.4
263.05804	4.4
269.06735	3.2
273.07785	4.2
281.06641	3.3
315.08691	30.2
327.08673	15.1
345.09894	15.9
357.09842	94.3
369.09943	4.2
387.10944	66.4
417.11981	19.3
429.11896	3.4
447.13007	25.0
459.12967	5.0
477.14056	29.7
489.13635	3.7
549.16174	4.6
567.17108	100.0
569.54901	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	567.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27514	1.6
58.28986	1.8
59.01385	3.7
85.57887	2.1
92.18322	4.5
119.05026	2.6
149.02469	8.2
150.03235	14.6
151.03981	5.1
153.52234	2.1
163.04066	4.3
164.04779	16.7
165.05504	3.5
178.02708	17.7
192.04297	4.6
193.05052	40.9
193.06613	2.7
196.03822	11.5
294.05344	2.8
295.06134	5.0
309.08011	2.4
389.10590	2.2
413.10211	4.5
417.09717	14.1
425.10394	3.4
426.07489	4.4
429.09863	29.1
432.12018	16.9
441.09833	21.2
444.12274	25.5
445.12991	4.0
447.14481	12.3
456.12192	3.3
459.14780	25.3
471.14413	4.2
477.15585	59.5
489.15637	100.0
507.16205	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	567.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82724	0.6
54.46343	0.6
59.01383	1.6
67.31833	0.6
74.91270	0.7
93.03443	1.1
97.36005	0.6
105.14494	0.6
109.02905	1.1
114.19908	0.6
118.39911	0.6
119.05051	1.4
121.02913	1.5
122.03729	3.5
123.04503	1.0
127.53600	0.7
135.04538	0.8
136.01637	2.9
147.04510	0.8
149.02419	8.9
150.03210	73.5
151.03993	5.8
158.86621	0.6
160.05290	10.8
161.06119	3.1
162.03227	1.5
163.04039	3.5
164.04803	5.9
165.05559	100.0
175.03970	1.6
175.07632	4.2
176.04807	4.1
177.05576	4.0
180.04254	9.0
181.80339	0.7
191.07135	4.8
195.06627	49.6
215.50627	0.7
267.06628	5.5
281.08179	7.9
282.08914	9.7
283.09534	0.9
296.10532	5.3
297.11359	9.4
297.78415	0.8
309.11404	0.7
312.10056	1.7
313.11002	0.8
327.12317	14.2
371.11389	12.5
387.11172	1.3
445.16544	3.4
475.17621	16.2
493.18301	0.9
505.18655	1.4
519.16528	3.7
523.19739	15.2
537.17139	0.8
567.18634	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	567.275
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
59.01367	0.5
60.38213	0.4
78.08631	0.4
82.02971	0.6
84.04538	0.9
86.02470	10.5
88.04028	0.9
92.19028	0.9
95.04192	0.4
102.98590	1.1
108.02222	0.6
109.07703	0.9
120.01240	13.2
123.04472	0.7
127.05141	3.4
127.08768	19.2
128.03529	97.7
145.08652	0.9
150.03268	0.7
153.06689	8.5
165.05545	0.9
171.07747	53.7
179.04654	1.0
193.05029	0.7
213.03394	0.8
215.06786	2.9
217.05032	0.6
231.04527	5.1
243.19815	0.5
249.05504	100.0
305.21161	3.1
329.10352	0.8
368.65320	0.5
516.60901	0.6
537.17426	3.3
549.17596	2.5
567.18677	3.5
567.27539	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	567.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52051	0.5
56.28813	0.6
59.01376	0.7
67.19946	0.5
71.27100	0.6
72.99276	0.9
75.00867	100.0
81.14559	0.6
82.55500	0.6
115.95844	0.8
218.68631	0.6
253.09171	1.2
271.22675	1.4
306.87836	0.7
382.88394	0.8
403.50583	0.7
567.35107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12369	1.4
50.95926	1.4
59.01377	12.5
78.95900	8.2
97.06563	4.1
97.81287	1.9
102.84737	2.1
134.29340	1.8
146.11032	1.8
149.18756	2.0
152.99612	3.2
168.04344	3.3
191.08904	2.1
224.06944	9.9
225.22202	4.1
242.08110	2.6
251.20123	4.2
269.21198	100.0
273.84094	1.9
273.87408	2.0
297.86133	2.3
369.15244	2.1
494.28836	77.5
558.29913	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	568.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.8
60.73158	0.3
61.98831	0.6
76.50366	0.4
78.95908	6.5
150.05042	0.4
152.99606	2.8
155.94452	0.5
168.04311	2.7
199.46495	0.4
224.06912	7.6
242.08015	2.0
249.24638	0.4
254.07887	0.5
266.14670	0.4
269.24878	100.0
306.66122	0.4
389.47147	0.5
471.92706	0.4
494.32590	64.3
568.36310	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	569.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15873	1.0
54.69838	1.0
56.37664	1.1
59.01384	100.0
61.87183	1.2
64.90752	1.0
66.22536	1.0
67.31559	1.0
67.43135	1.0
71.01365	5.9
71.47899	1.0
73.08333	1.0
76.90307	1.2
83.01395	2.1
85.02927	1.6
85.70724	1.3
86.29359	1.0
87.00861	9.6
89.02454	5.6
98.62633	1.5
101.02431	9.1
112.55454	1.1
113.02406	8.8
119.03398	1.3
121.02954	1.6
130.23473	1.1
143.03487	2.4
161.04547	9.6
179.05693	1.7
213.93871	1.4
237.80798	1.3
271.43201	1.1
323.10016	8.8
341.10815	19.7
365.10950	1.7
383.11963	14.7
407.12143	2.0
425.07281	1.6
425.13058	47.4
467.14020	47.4
569.18158	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	569.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
70.07043	0.6
70.34715	0.6
71.01390	3.6
73.02942	4.6
74.76463	0.6
76.73514	0.7
83.01370	1.2
87.00874	6.2
89.02454	3.5
92.18507	0.8
100.78336	0.7
101.02438	7.8
110.67488	0.7
111.08054	0.7
113.02454	6.9
116.07191	0.7
119.03477	1.2
119.87677	0.6
125.02473	1.5
131.00459	0.7
131.03465	0.9
137.02527	1.2
143.03510	2.9
161.04578	5.3
162.01941	8.0
179.05650	1.4
184.09814	3.1
217.61078	0.8
221.06529	0.8
222.04272	0.7
255.31946	0.9
305.08670	0.8
323.09888	6.1
341.10901	12.1
365.11008	1.4
383.12000	13.5
407.11978	3.1
425.13055	45.1
445.99191	0.7
467.14114	32.9
509.14978	1.0
569.20129	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	569.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17529	0.4
62.07317	0.4
71.96288	0.5
89.19807	0.4
101.02477	0.5
108.94801	0.5
136.40614	0.5
142.27251	0.5
149.02481	0.6
150.03218	7.4
156.34567	0.5
162.03236	79.0
165.05576	9.7
173.06230	0.5
177.05586	100.0
195.06656	2.2
230.28368	0.5
317.85120	0.5
343.12036	0.6
377.69513	0.5
443.11404	0.5
504.46628	0.5
521.18329	0.9
569.20300	2.5
569.28595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01382	6.2
66.10835	0.2
67.01580	0.1
71.01379	2.8
72.99304	0.4
73.02937	0.9
75.00861	4.5
77.16301	0.2
80.94987	0.2
83.01396	0.3
85.02939	3.5
87.00865	1.9
89.02430	0.4
92.58917	0.1
95.01407	0.2
97.02927	0.2
99.00865	1.3
99.04539	0.3
99.67126	0.2
99.92577	3.1
101.02430	2.3
113.02438	6.4
115.00339	0.4
116.92848	100.0
117.01929	1.2
119.03458	0.2
129.01971	0.3
131.03558	0.2
143.03485	0.3
161.04509	1.1
165.05592	0.3
216.91699	0.2
249.13440	1.4
323.09778	0.4
341.10739	1.1
363.16519	0.3
383.12131	1.3
425.12512	1.4
425.16742	2.0
467.13754	1.5
467.18280	1.0
507.20920	0.4
569.20844	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	569.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48340	0.3
55.01869	1.9
57.03446	0.8
59.01385	19.2
67.59460	0.4
71.01381	19.4
73.02948	9.7
83.01382	4.6
85.02949	12.6
87.00874	0.9
89.02447	3.3
95.01379	2.9
97.02916	0.4
99.00871	3.5
101.02444	28.7
109.57141	0.4
113.02441	10.4
119.03464	0.9
119.21693	0.4
121.46537	0.4
129.01909	0.6
137.09683	0.5
143.03459	0.5
151.03996	0.5
151.32802	0.5
159.02972	2.0
161.04552	2.4
165.05540	0.5
219.18439	0.4
243.17560	9.5
303.19672	15.2
347.18726	0.6
463.23560	10.0
465.24963	100.0
479.22815	2.2
509.23990	11.4
569.19183	0.6
569.26349	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	570.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	13.7
66.56565	1.0
71.05014	6.2
73.72325	1.1
76.27740	1.2
78.95908	13.7
101.11326	1.0
138.16968	1.3
152.99605	10.3
168.04353	2.8
170.48712	1.5
183.17519	7.3
197.19159	7.0
211.40401	1.1
224.06967	13.9
225.22263	16.0
241.01196	1.2
242.07927	4.8
253.21768	6.6
254.22107	2.5
263.08069	1.3
269.21216	2.0
271.22818	95.9
275.78836	1.2
284.50256	1.2
356.03268	1.2
455.97092	1.4
496.30493	100.0
520.30511	2.2
570.27191	9.5
570.34766	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	570.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12352	0.3
56.33167	0.4
59.01379	8.3
60.83928	0.4
61.98825	2.1
70.09471	0.3
72.93105	0.4
78.95904	6.0
88.54651	0.4
98.86723	0.5
99.08154	2.4
144.59497	0.4
152.99588	2.2
155.14392	1.7
168.04323	2.9
204.74110	0.5
224.06918	9.1
225.22285	4.6
235.20639	0.5
242.08032	2.1
253.21654	0.7
269.21408	0.6
271.22794	100.0
397.58466	0.4
433.59512	0.5
496.30481	67.7
502.90396	0.5
570.34320	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87530	0.5
59.01383	7.4
59.13241	0.5
59.86799	0.6
78.95902	4.9
95.52969	0.7
137.22583	0.6
139.53752	0.6
152.99556	2.7
168.04330	2.9
194.67157	0.7
224.06903	6.2
225.22333	3.0
242.08002	0.9
271.22818	100.0
311.52063	0.7
373.30792	0.8
496.30545	57.8
499.37329	0.8
570.33807	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	571.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54216	0.2
58.15508	0.1
59.01408	0.6
61.75638	0.1
70.17281	0.2
71.01414	0.2
84.38177	0.2
177.05467	0.2
226.02957	0.2
235.48811	0.2
243.02893	0.2
246.26350	0.2
248.82637	0.2
253.01346	0.2
260.39948	0.2
270.01697	0.3
271.02512	3.3
282.05334	0.2
285.04126	1.8
299.02042	8.6
299.05191	0.3
312.02786	0.3
313.03586	34.0
314.04382	8.0
315.05008	1.5
327.05063	1.9
328.05936	13.6
329.06653	5.2
343.04636	7.2
357.06192	0.9
371.07782	0.2
407.53223	0.2
453.14838	0.2
461.07330	31.5
475.09036	0.8
476.09662	39.9
491.12012	100.0
511.25101	0.4
571.07709	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05547	1.0
59.01382	5.6
71.01374	1.3
89.02423	2.7
101.02452	1.7
103.00378	5.4
106.02978	1.4
113.02399	1.3
134.02493	15.8
158.02437	1.7
159.03220	6.7
160.04033	30.5
162.01958	100.0
162.05547	7.7
172.98126	1.1
174.01950	18.7
175.02826	1.5
175.52853	1.1
202.01427	8.6
203.08284	2.1
204.02945	2.2
206.04543	7.8
209.45317	1.2
229.15500	1.4
264.05130	1.1
323.06757	18.8
368.09726	10.0
527.13196	9.8
553.11182	4.3
571.11572	30.3
571.19073	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	571.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56475	1.1
57.03448	73.8
59.01380	71.1
66.17580	1.2
71.01385	10.2
71.72443	1.1
73.02918	12.1
78.95894	1.7
83.01368	6.0
89.02447	10.0
99.04503	72.0
101.02426	30.4
101.99136	1.3
106.06019	1.2
113.02439	6.7
119.03436	2.4
121.29543	1.2
123.04503	5.6
125.02422	20.1
143.03468	2.4
149.83496	1.2
151.03934	1.4
161.04538	4.9
166.02715	2.3
167.37315	1.3
181.05008	3.1
192.10210	1.3
193.04985	2.0
221.06683	2.2
349.20120	2.0
389.12241	1.5
408.51834	1.4
427.16110	70.0
469.17047	13.7
487.18295	2.3
511.25620	6.0
571.20245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77164	0.6
53.15492	0.7
53.40596	0.7
56.34116	0.7
59.01376	10.4
67.53902	0.8
71.01373	3.9
73.02943	1.5
75.00863	1.9
75.96897	0.9
78.19186	0.8
85.02958	2.1
86.62174	0.8
87.00864	1.1
89.02455	1.3
101.02451	6.8
113.02427	4.0
121.02981	1.1
122.03728	4.0
123.04547	1.6
127.99737	0.9
146.03731	20.0
147.04529	1.2
149.02449	9.2
150.03201	61.7
151.04019	2.2
161.04707	2.0
161.06088	8.0
164.04776	23.9
165.05551	100.0
175.04025	0.9
179.07127	36.8
180.04285	9.5
195.06624	53.6
217.12280	6.9
327.12222	2.1
343.11816	10.8
345.13806	1.8
349.20236	1.7
375.14563	1.8
378.93533	0.9
391.14078	12.7
465.24945	1.0
467.25522	5.1
511.25421	21.7
523.19739	10.9
540.98120	1.0
571.20288	2.9
571.28345	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01385	20.6
59.64570	0.9
62.59389	1.1
71.01379	28.2
73.02942	12.2
83.01389	2.0
85.02945	12.1
87.00849	2.0
89.02438	15.3
95.01398	1.8
99.00869	1.4
101.02428	20.4
113.02427	15.6
119.03509	2.9
143.03494	2.4
145.02904	2.0
150.03276	1.8
151.03833	1.4
153.09218	2.6
154.54848	1.2
159.02962	1.8
161.04556	20.6
165.05568	5.1
165.09192	1.5
177.05655	1.3
179.05606	7.3
183.40927	1.2
189.35121	1.2
215.10728	1.3
245.15512	4.5
256.82645	1.2
257.15494	4.5
259.17084	2.1
289.18082	2.7
301.18051	11.1
313.18042	2.1
318.18344	2.1
319.19144	100.0
331.19156	76.2
349.20166	7.8
481.24472	78.1
493.24750	2.6
511.25690	2.7
555.91296	1.4
571.27704	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	571.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49838	0.8
58.73753	0.7
59.01381	19.3
71.01382	11.3
73.02949	4.3
78.61031	0.7
83.01378	1.0
85.02942	3.6
89.02437	6.6
99.00864	1.9
101.02442	11.7
106.34675	0.7
108.66074	0.8
110.26848	0.9
113.02435	7.4
119.03526	3.1
131.03485	1.6
136.01700	0.8
150.03271	0.8
151.03947	1.6
161.04512	5.5
165.05554	1.7
233.15384	1.0
289.18140	25.6
349.20209	3.7
467.25793	1.2
511.25479	100.0
571.21588	1.2
571.28571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1366
Annotation	Anigorootin
Peak:m/z	Relative Intensity
50.35972	0.9
59.01378	7.7
71.01357	2.3
73.02921	5.4
83.01373	1.4
85.02908	1.7
88.84115	1.0
89.02401	1.1
97.75326	1.1
101.02419	6.0
103.26292	1.0
106.02950	2.5
109.31347	1.1
113.02412	2.3
122.02303	1.0
134.02475	10.4
144.04517	5.4
148.03990	2.4
160.04022	89.8
161.04723	6.1
162.01961	52.5
162.05592	80.8
176.03481	2.0
186.05597	1.3
188.03546	4.3
195.05128	1.9
204.02898	2.1
206.04582	92.0
350.08740	5.8
368.09772	8.1
410.10925	66.4
509.63974	1.2
555.12537	5.1
573.13470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2044
Annotation	(+)-Siddiquamine
Peak:m/z	Relative Intensity
56.29050	1.3
57.03445	7.4
57.30647	1.2
59.01381	12.9
60.15985	1.5
69.25275	1.3
70.19926	1.3
71.01379	8.4
73.02961	1.7
75.00883	16.1
83.01385	2.6
85.02933	6.3
87.00860	2.1
99.00886	12.4
99.04506	5.5
101.02433	6.8
129.01935	19.4
159.02979	5.2
160.03998	5.7
161.04533	6.9
162.01956	8.7
162.05646	1.7
177.04042	14.6
185.45062	1.4
195.05116	21.3
251.11423	8.4
335.14099	1.3
565.91650	1.8
573.20514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04974	0.6
58.03627	0.6
58.42160	0.7
59.01372	8.4
61.80832	0.7
68.90056	0.6
78.95897	4.2
89.02425	1.4
101.02438	4.1
110.98489	1.2
116.92837	1.7
119.03497	1.1
150.55389	0.8
167.01134	3.3
223.59572	0.7
253.09244	11.9
277.21704	100.0
281.24982	2.9
282.25049	0.9
425.56158	0.8
429.74005	0.9
513.30640	3.6
573.20270	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	573.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04584	0.9
52.77758	0.9
59.01387	36.4
68.87968	1.2
71.01382	21.2
82.55308	1.0
85.02950	2.3
88.59155	1.3
89.02448	32.6
94.16817	1.0
95.01357	1.2
101.02454	11.2
113.02449	8.5
118.75929	1.3
119.03495	15.6
169.12343	100.0
179.05627	14.2
220.28159	1.3
223.17067	1.7
241.17966	2.9
349.18686	22.6
393.30209	5.4
573.36273	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	575.1392
Annotation	Maysin
Peak:m/z	Relative Intensity
51.80902	1.7
59.01395	2.0
62.67481	1.6
130.10368	1.8
151.03984	2.0
183.30975	2.1
250.87364	1.9
276.19757	2.0
296.06787	2.5
311.05612	9.8
323.05652	3.8
325.07312	10.5
351.05090	8.7
353.06638	40.8
369.06165	21.7
381.06216	7.5
383.07877	13.6
399.07251	11.0
489.10257	2.8
506.60754	2.1
575.14117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1407
Annotation	Trilobatin A-1'-methyl ester
Peak:m/z	Relative Intensity
58.38974	2.2
59.01360	3.9
71.01376	2.0
75.00816	2.1
88.06578	1.9
89.02433	2.4
96.47906	1.7
96.64736	1.8
99.04449	1.8
101.02411	2.9
110.41550	2.5
113.02448	2.2
126.76742	2.0
129.60133	1.9
137.62987	2.0
146.70169	2.1
165.05537	3.7
195.06554	2.4
217.04782	2.5
283.06082	4.2
296.07050	2.2
297.07642	7.2
309.07684	2.3
311.05435	13.0
323.05612	10.4
325.07181	3.8
335.05521	2.9
337.07159	8.3
339.04877	8.6
341.06622	4.4
349.07047	2.8
351.05121	19.2
353.06680	14.5
369.06027	3.4
381.06339	15.2
383.07550	10.7
395.07324	2.8
459.09085	3.8
471.09125	13.3
503.11926	3.5
515.28406	2.9
531.10883	2.1
539.21143	3.8
557.12628	3.4
575.13782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.3
64.23754	0.4
64.93632	0.3
67.80825	0.3
71.01377	23.3
72.99324	0.5
82.17874	0.4
83.01444	0.4
85.02947	3.1
87.00869	0.6
88.60169	0.3
89.02437	33.6
95.01364	1.5
101.02436	14.7
102.89997	0.3
113.02441	9.9
119.03491	12.0
131.03496	0.8
143.03493	1.8
149.04550	1.4
161.04550	2.5
169.12332	100.0
179.05606	13.5
241.98460	0.4
243.19664	4.1
349.18689	22.2
395.31674	6.0
575.38129	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	577.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64436	0.4
64.33072	0.4
80.96529	0.5
88.33492	0.4
92.52522	0.5
113.02482	0.5
124.53058	0.4
126.80423	0.4
133.02975	0.8
137.02467	0.9
149.02405	0.8
154.34338	0.4
158.73955	0.4
162.01962	0.7
191.03516	2.5
203.03679	0.5
205.05067	0.7
205.61775	0.5
221.04646	0.8
233.04591	0.5
282.05414	0.6
283.06165	5.3
293.04672	0.5
297.03873	1.8
298.04965	0.6
299.05661	0.7
305.59055	0.5
309.04083	2.2
309.13046	0.5
310.04807	2.5
311.05591	8.3
323.05600	1.8
327.05002	2.1
339.05124	29.1
340.05795	0.6
341.06720	4.7
343.08084	0.5
350.32452	0.5
351.05060	2.1
353.06647	0.8
355.04520	2.3
367.04468	3.4
369.06177	21.8
371.07703	0.8
381.06226	3.6
383.07645	1.9
385.05371	0.6
393.06335	0.6
397.05600	2.4
399.07281	3.7
400.07864	0.6
401.08774	0.7
411.07144	1.7
423.06940	0.5
429.08322	15.7
441.08264	0.9
457.07733	3.2
459.09375	14.4
471.09299	1.8
487.08966	2.0
531.11823	0.6
549.12445	5.1
577.11993	100.0
602.49799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1576
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
52.83178	0.1
59.01381	0.2
60.69525	0.1
64.18629	0.1
65.06115	0.1
75.32867	0.1
77.91759	0.1
81.52213	0.1
149.02455	0.1
151.04068	0.2
201.05783	0.1
225.05632	0.2
234.60019	0.1
234.76085	0.1
266.63391	0.1
268.03793	2.0
269.04590	100.0
310.06619	0.1
311.05618	0.2
476.70911	0.1
551.04913	0.1
577.15729	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	577.1573
Annotation	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
Peak:m/z	Relative Intensity
56.16668	0.7
57.80066	0.7
59.01377	1.9
64.74535	0.7
69.62552	0.7
71.01386	0.9
75.17204	0.7
77.27267	0.7
101.60396	0.7
127.54424	0.9
137.02548	0.9
149.16925	0.8
161.02405	0.9
293.04523	3.5
295.05780	1.2
297.07687	4.6
311.05682	4.3
323.05667	4.0
324.06158	1.0
325.07071	7.6
337.07288	1.1
339.05209	1.1
341.06732	1.1
353.06717	48.7
353.90201	0.9
365.06824	7.1
383.07767	38.0
395.07550	5.0
407.84570	0.9
413.08768	5.6
457.11407	9.4
487.12479	3.5
577.15692	100.0
596.48022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
63.30917	1.6
63.43896	1.1
79.73976	1.1
92.19053	2.5
107.23755	1.2
112.41617	1.3
117.03450	20.5
118.04235	25.3
119.05013	69.5
121.02950	32.5
123.04537	11.4
133.02962	6.0
134.03722	2.0
145.02940	15.7
162.03215	54.6
163.04010	82.3
168.19925	1.3
177.01917	23.7
192.04286	100.0
207.06628	67.9
215.12424	1.3
217.70918	1.6
223.06146	2.2
270.09088	3.3
294.08936	2.4
325.10693	5.4
341.10223	7.6
369.09802	54.1
413.12442	2.0
417.13818	1.5
431.13217	1.8
451.61688	1.4
577.17352	12.8
602.34039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85317	0.4
57.28850	0.4
59.01378	3.3
71.01024	0.5
71.01368	3.9
87.00853	2.5
89.02448	5.5
101.02431	2.6
113.02431	3.5
119.03494	1.9
132.02139	0.5
134.03746	21.6
149.06079	6.8
151.33504	0.5
160.01651	14.7
175.04010	60.4
176.04762	0.6
178.02649	1.9
191.07153	5.3
193.05066	42.9
207.06589	2.2
220.26633	0.6
235.06136	14.3
265.07205	2.6
268.00562	0.5
283.06207	0.6
295.08292	4.4
337.09198	2.1
339.05109	1.3
355.10196	2.7
369.06128	2.3
459.09195	0.7
517.15680	100.0
577.12115	12.8
577.20337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	65.7
79.64538	0.5
102.60777	0.4
103.79243	0.5
122.06184	0.5
128.53952	0.4
167.76430	0.5
177.05530	2.4
237.46140	0.4
266.09589	0.7
269.04932	0.5
269.08170	2.1
279.06891	4.4
290.05814	0.8
291.06702	4.4
292.07434	3.9
293.08328	0.6
294.08954	6.7
295.06094	14.1
305.08273	3.1
306.08984	17.3
307.06134	38.9
307.09537	2.5
310.08490	37.6
321.07697	3.4
322.08469	38.3
325.10812	73.0
337.10831	100.0
355.11874	15.1
461.25894	0.5
577.19397	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	577.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	29.5
71.01377	17.3
75.33248	0.7
83.74093	0.7
85.02972	0.9
87.47903	0.6
89.02441	28.4
90.21161	0.7
93.03416	0.8
98.82651	0.8
100.75499	0.7
101.02451	21.1
113.02436	8.7
119.03490	14.8
131.03516	1.2
137.02411	1.1
138.06776	0.9
143.03496	1.0
151.07672	1.5
153.09227	3.2
166.65067	0.8
178.51428	0.7
179.05650	1.1
191.10808	4.5
210.25629	1.0
253.10866	5.1
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	577.4233
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
59.01365	2.2
61.98824	4.1
75.02995	0.6
82.32662	0.6
84.02682	0.5
147.80682	0.6
171.10248	0.8
233.22505	0.7
259.20572	0.7
275.20221	0.7
277.21692	96.7
299.25964	1.0
356.33823	0.6
469.89944	0.6
577.42383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68642	2.0
58.59129	1.9
59.01371	5.3
71.01377	39.3
75.03860	2.3
78.45346	2.3
85.75219	2.3
87.00855	5.5
88.04021	43.8
89.02464	20.2
101.02437	12.0
113.02452	12.1
119.03493	4.5
133.56660	2.6
146.08226	32.5
161.04529	3.7
162.01985	13.4
179.05568	4.0
179.99413	2.5
199.72717	2.8
218.10321	44.7
240.08498	3.0
286.76297	2.5
323.09943	2.6
341.10690	29.4
395.12067	4.1
398.78842	2.5
446.72369	2.6
542.20905	39.6
578.18640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58569	0.2
55.59972	0.2
59.01377	10.3
59.01659	0.4
71.15834	0.2
72.64172	0.2
78.75728	0.3
78.95895	8.5
78.96362	0.3
91.79797	0.3
92.18353	0.5
124.38429	0.3
135.19814	0.3
152.99573	3.5
168.04312	4.2
207.74229	0.2
224.06920	9.7
242.08046	1.7
243.76994	0.2
257.15182	0.3
261.22189	0.5
279.23285	100.0
504.30991	79.8
519.27350	0.4
578.34674	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	579.1353
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
59.01370	0.8
62.14975	0.4
71.01381	0.6
87.00838	0.6
89.02418	1.1
99.27363	0.4
109.02957	0.7
113.02396	0.7
129.85510	0.4
133.02966	2.3
134.03716	3.3
149.06078	0.8
149.55060	0.5
160.01645	2.2
175.03958	6.5
176.04335	2.5
177.01923	0.5
177.04503	0.8
191.03439	1.0
191.07086	0.6
193.05011	4.7
194.05438	1.9
203.03528	0.7
233.04570	0.7
235.02417	0.5
235.06013	0.5
245.04527	0.9
263.05560	0.6
297.03995	2.1
298.04758	5.1
299.05536	2.1
309.04175	0.5
310.04645	1.0
311.05719	3.1
312.06424	6.5
313.07022	4.1
323.05478	2.0
325.07047	0.6
327.05118	8.7
339.05084	22.2
341.06628	9.1
344.05200	0.6
351.05072	2.6
353.06622	4.8
357.06290	3.3
367.04562	1.0
369.06131	54.1
371.07584	2.1
381.06116	9.2
383.07590	2.6
393.06107	0.7
395.07840	0.7
397.05472	0.6
399.07153	39.4
405.06076	0.6
411.07169	8.9
413.08658	1.0
423.07144	2.3
425.08792	1.0
429.08255	12.2
435.07181	0.7
441.08261	5.0
453.08157	1.9
459.09167	2.2
465.08789	0.5
471.09225	1.8
489.10318	13.8
501.10229	0.6
517.15698	2.0
518.15741	0.7
519.10394	2.7
519.17236	12.5
561.12299	3.1
579.13501	100.0
584.37335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1877
Annotation	Kadsuphilin C
Peak:m/z	Relative Intensity
53.49984	5.8
55.58973	5.5
59.01381	46.0
61.98773	5.7
66.97923	6.4
92.84406	6.8
102.74821	6.1
109.16255	7.5
117.03443	12.9
118.04182	8.8
119.05015	56.8
121.02940	15.2
122.24573	6.9
145.16852	6.6
153.05545	23.7
162.03278	11.1
163.04034	78.8
176.01117	7.8
191.03444	9.6
192.04260	8.7
193.01405	15.9
207.06647	31.0
208.03836	31.1
218.35565	7.4
223.06055	35.4
315.04108	6.1
336.05426	6.6
367.96237	8.2
579.18567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1874
Annotation	Kadsuphilin C
Peak:m/z	Relative Intensity
52.11989	0.5
52.29508	0.6
57.63087	0.5
62.51577	0.5
68.99824	7.4
83.02500	2.9
83.39662	0.6
83.79872	0.6
96.68002	0.6
108.02177	9.0
109.02924	1.2
117.03454	1.0
119.05018	1.4
123.00878	3.6
123.03616	0.9
123.04520	18.3
132.02075	1.2
134.03793	0.7
135.04518	1.3
138.03217	3.1
142.83844	0.6
145.02963	0.7
147.04611	0.8
150.03194	6.3
157.11185	0.7
160.80357	0.7
161.02396	5.5
162.03217	4.9
163.03986	5.9
175.03978	3.3
177.05569	25.5
178.02698	26.3
179.03535	1.4
190.06319	3.2
193.05063	40.4
194.05873	1.5
201.84554	0.8
218.05916	2.4
222.05327	1.5
248.39297	0.8
270.05219	0.7
307.06158	1.2
314.04340	0.9
320.06912	2.8
321.07706	16.7
322.08267	4.7
324.06308	0.9
325.07227	10.4
335.09073	1.0
336.09930	8.6
337.07315	9.7
337.10876	2.5
339.08673	7.7
340.09531	14.5
352.09610	5.1
354.11044	3.7
355.11914	15.1
367.11972	9.7
518.70734	0.8
549.17761	1.4
561.17633	1.5
579.18768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81120	0.6
59.01378	1.0
61.01746	0.6
64.39486	0.6
70.43459	0.8
93.03456	1.0
105.43140	0.7
117.03452	12.1
118.04252	14.7
119.05020	71.4
121.02954	23.8
121.03819	0.7
123.04503	6.7
133.02905	4.8
134.03763	3.8
145.02963	17.5
145.06624	0.9
149.02406	0.7
153.05519	0.8
161.02458	1.5
162.03223	28.2
163.04013	100.0
165.36435	0.7
173.99358	0.7
176.04848	5.3
179.03516	5.9
188.04924	0.9
191.03459	0.8
191.07190	1.2
192.04381	1.1
194.05824	12.0
207.06653	2.8
208.03830	1.4
209.08176	8.5
223.06203	3.4
225.42238	0.7
240.06808	1.0
254.43147	0.8
255.06664	1.0
257.89511	0.8
270.09030	1.2
281.14139	0.8
294.09082	1.2
314.04437	3.2
325.10855	1.5
329.06909	1.3
341.10370	1.2
369.09827	32.2
433.15070	1.7
579.18890	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	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80518	0.2
59.01381	100.0
92.19171	0.3
101.02430	0.4
109.02964	0.3
161.04526	0.4
169.70494	0.3
175.03966	0.4
179.07191	0.3
190.06372	2.5
203.07161	0.6
221.06746	0.5
222.05322	2.0
224.12509	0.3
268.11115	0.4
269.08279	0.5
270.42142	0.3
273.69318	0.3
278.09509	0.4
279.06628	1.3
281.08148	1.6
282.09009	1.0
283.09641	1.2
284.95422	0.3
285.04001	1.5
292.07553	1.1
293.08221	1.2
294.09021	2.9
295.09775	0.4
296.10599	2.1
297.07700	6.3
297.11258	1.5
302.75266	0.3
307.09805	0.5
308.10602	2.9
309.07687	20.3
309.11334	8.0
312.10059	23.6
323.09195	2.6
324.10025	29.6
327.12387	62.3
339.12378	54.5
357.13501	6.1
579.12744	0.4
579.21796	3.2
579.85242	0.3
581.28955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
68.72766	0.5
100.80493	0.5
110.47413	0.5
116.78497	0.6
116.95029	0.5
119.05038	0.6
143.25113	0.7
163.03970	1.0
184.15103	0.7
192.99805	0.6
226.80814	0.6
298.86871	0.7
430.42343	0.6
546.34906	0.8
579.19244	0.6
579.27185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3385
Annotation	2-palmitoyl-trehalose
Peak:m/z	Relative Intensity
59.01370	28.7
61.98855	2.9
68.94281	1.9
71.01385	25.3
71.75139	1.9
73.02937	3.1
75.62886	2.4
78.95899	4.6
85.02954	4.9
87.00866	37.5
89.02451	29.0
101.02447	21.1
101.03007	2.3
113.02448	26.0
119.03495	4.1
152.99593	2.8
161.04527	3.1
179.05638	8.6
255.23308	100.0
269.24878	57.7
279.23270	10.1
280.23569	20.6
281.24915	2.9
297.24371	9.4
323.09946	35.7
341.10861	51.4
505.31036	16.2
579.24310	3.7
579.33783	51.7
587.21283	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	579.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05332	0.2
55.00019	0.2
55.60979	0.2
59.01381	9.7
61.98819	0.3
71.01380	2.0
73.02913	0.7
83.01383	0.2
85.02954	0.4
89.02428	3.7
99.92867	0.2
101.02428	4.2
102.15418	0.2
113.02412	1.5
119.03474	1.4
127.37933	0.2
143.03542	0.3
161.04485	1.6
179.05582	0.4
235.08205	2.0
253.06621	0.4
253.09282	12.3
283.26428	100.0
292.82623	0.2
482.75415	0.2
519.35413	10.2
579.36487	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	579.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93628	0.6
59.01384	2.2
59.78957	0.5
65.98978	0.5
87.72024	0.6
89.02435	0.9
92.19002	0.6
116.75961	0.6
143.91238	0.6
200.02699	0.6
225.18605	100.0
242.43341	0.6
253.09280	2.8
255.23679	0.6
283.26443	18.4
312.26120	0.6
315.11606	0.6
519.35760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29522	0.6
59.01386	1.2
65.47840	0.7
69.99162	0.7
73.19974	0.7
81.40304	0.7
106.02988	5.1
112.74874	0.7
127.55669	0.7
134.02498	14.7
150.03273	1.6
160.04016	1.1
162.01974	100.0
164.04758	1.0
165.05556	9.6
204.02956	0.8
325.11093	0.8
369.11530	1.1
370.97021	1.0
562.15338	1.6
580.16791	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	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49101	0.3
59.01372	8.7
63.29781	0.2
64.61155	0.2
64.83634	0.2
69.30365	0.3
77.19276	0.3
78.95885	8.4
92.20612	0.3
92.33438	0.4
98.36212	0.3
123.92948	0.3
135.87288	0.3
152.99548	2.6
166.08704	0.3
168.04279	2.9
224.06879	7.8
242.07948	1.5
274.77023	0.3
281.24823	100.0
295.92902	0.3
414.78662	0.3
506.32449	80.9
521.28760	0.5
549.75226	0.3
580.36255	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	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27757	3.5
50.81303	3.6
59.01373	9.2
59.76863	3.7
71.01365	5.9
73.50153	4.1
87.00861	4.9
89.02428	21.7
117.74706	4.2
143.04590	4.1
145.02943	25.7
146.64787	4.5
147.04523	7.7
149.02408	10.0
152.67990	4.1
161.02425	23.7
162.03215	51.2
163.03996	6.9
164.04781	43.7
175.03976	6.3
177.01994	6.0
179.07108	7.6
179.98808	4.0
190.02736	74.3
193.05086	9.3
205.05052	80.2
206.05902	18.0
216.50397	3.9
219.65259	4.4
221.08150	18.9
223.06102	64.8
235.06328	4.5
237.07816	4.9
250.04703	4.3
265.07193	54.5
270.29443	5.0
295.08038	10.3
325.09195	16.8
343.53702	5.1
385.11362	5.6
563.17682	100.0
581.18896	81.2
597.82916	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	581.2026
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
59.01376	13.5
63.43443	2.3
78.44316	2.4
80.05037	2.5
84.32186	2.4
119.05006	34.9
145.02946	19.6
149.02403	5.7
150.03206	55.8
163.03986	24.9
165.05533	76.5
175.03983	5.7
177.01782	3.4
180.04274	6.0
190.06285	4.4
192.04207	4.5
195.06638	20.8
207.06572	6.0
307.06210	4.1
315.85516	2.9
321.07608	16.6
322.08356	3.5
324.09818	4.5
325.07047	15.1
325.10925	3.0
337.07037	15.8
339.08630	15.0
340.09512	13.1
355.11777	17.9
367.11914	35.4
374.05435	3.5
397.11578	2.7
488.14880	3.1
503.17081	10.2
533.18280	27.3
551.19458	17.0
581.20477	100.0
581.29407	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2026
Annotation	Rhusemialin A
Peak:m/z	Relative Intensity
59.01371	3.9
59.31351	0.9
62.90773	0.8
68.55042	1.0
79.19072	0.8
84.18736	1.0
97.67576	1.0
119.05005	100.0
134.03716	1.3
145.02927	5.5
159.65941	0.9
161.02415	1.6
163.03986	73.9
176.04730	3.7
179.03500	5.0
191.07126	1.4
193.05074	1.8
194.05827	13.2
209.08183	5.8
227.56215	0.9
355.12158	1.1
371.11234	1.1
581.20392	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	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
66.82276	0.6
71.01374	1.5
73.23618	0.7
75.00866	1.4
83.28562	0.8
85.02943	1.4
92.18398	1.4
96.02033	0.8
101.02435	1.3
113.02435	3.0
119.91160	0.7
123.44127	0.8
137.02396	0.8
145.02951	5.2
147.04483	1.3
149.02420	1.8
161.02432	1.4
162.03244	5.2
164.04778	4.8
177.01918	1.0
179.07198	1.1
190.02727	9.7
190.06348	1.2
193.05022	1.5
195.06561	0.7
200.21736	0.7
205.05061	11.7
205.08662	1.2
206.05742	1.7
208.07449	5.1
221.08173	3.3
222.09140	1.2
223.06172	7.0
236.13100	0.8
237.07541	1.0
250.04997	0.9
265.07196	5.4
269.08386	1.4
295.08084	0.9
298.12094	1.1
299.09280	5.1
311.09149	7.5
314.11578	27.3
325.10474	1.1
326.11606	21.7
329.13959	78.0
340.12506	1.0
341.13953	42.9
359.15033	10.4
385.11798	0.9
389.16217	7.3
419.17389	1.0
521.20166	1.1
563.17676	11.9
581.19305	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	582.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37983	0.2
59.01376	9.6
78.95887	7.0
80.81112	0.3
88.90765	0.3
92.86992	0.3
99.00253	0.3
152.99539	2.2
167.80859	0.2
168.04265	3.4
173.64009	0.3
209.30431	0.3
224.06900	8.9
242.08043	1.6
283.26401	100.0
332.57800	0.3
356.77792	0.3
419.25287	0.3
508.34033	78.4
523.30255	0.6
582.37909	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	583.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01376	7.1
59.80348	1.2
61.98814	2.8
71.01385	3.7
85.49482	1.4
89.02448	7.4
89.36880	1.8
101.02429	3.3
110.02682	1.5
112.62347	1.5
113.02434	3.2
117.47564	1.4
119.03400	1.8
124.73356	1.4
128.34129	1.5
144.47920	1.5
149.02458	1.8
163.93152	1.7
164.04761	24.0
179.07150	3.1
190.02722	18.2
205.05045	69.7
208.03711	3.1
221.08202	2.8
223.06131	43.0
237.07530	1.5
265.07169	13.0
325.09280	6.2
325.21805	1.5
411.55756	1.9
547.16724	100.0
583.14551	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	583.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03783	1.8
54.45506	1.5
59.01379	8.8
63.76844	1.9
70.14890	1.6
71.01375	11.5
73.02940	1.9
85.02948	2.2
89.01929	1.7
89.02415	18.2
93.03500	2.6
101.02419	10.3
108.02150	4.6
113.02444	9.7
119.03539	4.4
123.00869	2.9
124.01608	2.9
125.02417	3.3
137.02441	30.0
138.03171	2.7
138.86787	1.8
139.03992	10.0
153.01878	3.4
164.04695	3.7
167.03467	12.0
177.82840	2.0
179.05534	2.0
190.02704	40.9
205.05038	100.0
214.16113	2.0
223.06108	7.6
235.31618	2.0
270.85263	1.9
281.06680	17.0
290.98343	2.3
311.07809	3.8
412.83127	2.5
421.11353	69.3
422.90686	2.4
439.18262	2.4
547.08636	4.2
547.16644	84.8
583.14490	4.7
583.23035	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2191
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
52.36590	0.6
59.01350	0.6
61.29551	0.6
70.90887	0.4
73.03292	0.4
90.71252	0.4
92.18996	0.7
93.03439	0.9
119.05013	3.8
121.02936	2.1
122.03716	5.5
122.28812	0.6
123.00829	0.7
123.04520	1.1
127.62972	0.7
133.02901	2.0
134.03757	0.6
135.04465	0.7
136.01666	0.6
145.02959	1.8
149.02432	16.2
150.03220	74.9
150.94893	0.5
151.04025	0.8
161.05992	0.6
163.03989	3.7
164.04813	8.6
165.05566	100.0
176.78702	0.5
177.05582	3.2
178.02722	1.0
180.04291	11.4
181.05086	0.7
190.06572	0.6
192.08034	1.0
193.05096	3.1
194.05933	0.9
195.06630	40.1
203.07274	0.6
247.05507	0.5
283.09872	1.2
297.11316	1.1
307.06641	0.6
307.10034	0.9
308.10788	2.8
309.07800	0.9
312.10147	0.6
322.08664	0.8
323.09311	3.7
324.09790	3.5
325.10962	2.9
326.11624	7.7
327.08777	9.3
327.12424	0.7
338.11490	0.7
339.08765	12.6
339.12454	2.1
341.10382	0.9
341.13861	1.6
342.11151	9.6
354.11374	3.4
355.11859	0.9
357.13480	15.9
369.13376	19.1
457.13196	1.2
459.14896	0.6
461.16473	2.5
472.15460	0.6
475.13535	0.7
489.16196	0.9
505.19177	2.9
517.19495	0.8
535.19806	41.5
553.20923	0.9
565.21680	1.1
583.22290	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	583.2195
Annotation	Buddlenol B
Peak:m/z	Relative Intensity
57.45762	1.3
59.01385	1.9
68.78061	1.4
109.02964	1.6
119.05002	1.4
121.02964	2.3
122.03754	10.7
123.04543	1.7
135.04539	9.7
136.01720	5.4
145.39975	1.5
149.02432	16.3
150.03229	87.1
151.03986	14.8
163.04063	2.9
164.04771	5.5
165.05579	100.0
166.02734	7.9
167.03450	2.0
175.04053	2.6
180.04283	7.4
181.05096	13.6
189.05568	2.8
190.06390	9.8
195.06656	42.1
331.91742	1.9
356.12619	2.2
357.09619	5.5
357.13394	8.0
387.14563	32.6
435.78329	1.6
505.18463	1.7
535.19763	53.1
583.21985	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	583.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59051	1.8
59.01379	1.6
67.45506	1.1
86.02464	10.8
108.02135	2.0
108.24906	1.4
109.07761	1.6
120.01194	11.1
123.04491	3.5
127.05099	2.0
127.08765	17.7
128.03519	89.9
150.03162	3.7
153.06657	3.5
165.05444	1.9
171.07730	55.6
177.05531	2.2
178.02727	7.9
180.02757	1.9
180.04265	2.1
193.05086	7.1
195.06627	1.9
215.06679	2.7
249.05479	100.0
326.08063	2.3
329.10175	7.4
341.10223	2.5
553.17456	3.3
565.17139	3.0
583.17963	18.4
583.26843	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	583.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54270	0.2
58.64238	0.3
59.05669	0.3
64.33314	0.3
66.15052	0.3
73.42265	0.3
75.97775	0.3
80.32232	0.3
127.49277	0.3
140.46439	0.3
228.78784	0.3
235.20705	0.5
250.10220	0.3
253.21727	100.0
276.38644	0.4
286.50183	0.4
295.64444	0.4
373.40298	0.3
485.68439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.1
60.39877	8.1
61.98821	10.2
101.98824	8.2
105.42751	9.1
106.24030	8.7
150.03217	40.9
158.69228	7.9
165.05559	82.5
183.25885	8.5
195.06705	13.6
275.69363	10.3
299.02100	14.4
314.04242	85.3
329.06717	66.9
525.13983	100.0
612.45691	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	585.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.5
75.19718	1.8
89.02400	1.8
91.38023	1.8
113.83087	1.7
119.05010	29.8
123.04534	2.4
135.04454	2.1
136.01649	38.5
145.01915	1.9
145.02901	16.4
150.03186	9.5
150.06805	1.9
151.03998	100.0
163.03978	33.1
164.04811	3.6
165.05534	15.2
175.03984	2.6
178.02721	2.9
190.74219	2.5
193.05109	6.7
207.06592	3.4
230.79291	1.9
260.23468	2.0
295.06079	8.2
298.08392	8.5
310.08527	11.6
313.10724	9.5
343.11765	7.7
414.42932	2.0
458.95847	2.0
507.16357	4.1
585.19775	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	585.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
56.42972	0.9
57.03465	1.4
57.15305	0.8
58.22960	0.8
59.01108	1.4
59.01385	26.7
71.01381	37.4
71.05036	1.0
71.59339	0.9
73.02945	16.2
83.01365	8.9
85.02945	20.7
87.00874	1.1
89.02418	3.3
95.01410	0.8
96.61037	0.8
97.02959	0.9
99.00883	5.1
101.02441	44.2
105.80687	0.9
113.02444	21.1
119.16273	0.8
159.02983	1.6
161.04550	9.5
229.15901	1.1
244.61987	1.2
271.17007	3.7
281.72028	1.1
289.18109	4.6
304.82141	1.4
319.19293	1.5
329.10321	1.3
451.23248	9.8
481.24460	100.0
525.23431	22.9
585.17511	1.1
585.26190	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	586.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41124	1.6
76.37693	1.5
87.00866	2.8
87.92521	29.7
92.18434	2.3
103.92023	52.3
104.92784	24.8
105.93558	7.5
106.94321	2.1
111.00863	3.7
123.94630	8.2
128.53902	1.7
145.96709	25.9
155.95137	2.1
161.96223	18.0
163.97726	3.7
171.94632	7.6
189.95703	12.0
191.01923	6.6
199.94142	37.9
211.31876	1.6
284.77469	1.7
303.95209	6.8
313.88281	1.7
416.34769	1.7
423.99338	5.3
452.06107	3.5
568.03339	2.8
586.04779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14526	0.8
59.01375	7.9
60.55171	0.7
71.01348	1.7
73.02928	1.4
78.71896	0.9
87.00883	1.7
88.84173	0.8
89.02428	1.8
95.86278	0.8
101.02428	3.8
113.02391	4.7
133.02946	12.2
133.71040	0.9
135.04437	1.0
161.02426	100.0
165.05551	1.1
173.70238	0.9
179.05687	1.0
193.04971	1.9
311.95981	1.3
341.10471	1.2
365.19632	2.1
527.24768	1.2
587.16064	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	587.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00875	2.5
79.89062	2.7
93.03481	2.6
105.48281	2.2
106.93047	2.4
137.02464	3.4
149.15701	2.3
150.03210	58.5
155.41389	2.5
162.03270	3.6
165.05553	100.0
177.05565	11.1
180.04280	15.1
195.06616	81.2
245.11894	2.7
295.06342	2.7
298.08426	4.8
310.08469	5.0
313.10779	5.6
325.10736	4.6
373.12863	3.8
408.09430	2.8
446.13574	12.8
461.16043	10.8
539.18927	4.4
587.21277	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	588.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11823	0.6
53.36143	0.6
57.03441	1.2
59.01373	3.6
70.18384	0.7
71.01371	3.1
71.63062	0.8
85.02921	2.9
94.66403	0.7
95.79462	0.9
101.02408	1.9
106.02983	4.5
120.58037	0.7
134.02457	16.5
137.02477	0.8
160.04039	7.9
162.01941	100.0
186.01923	1.9
204.03001	1.7
222.64684	0.7
241.29578	0.8
279.73325	0.9
290.97250	0.7
340.24054	0.8
359.94675	1.0
422.50555	0.8
425.16571	5.2
440.15451	0.8
570.18268	5.3
588.19385	18.9
617.48926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50157	0.7
65.20824	0.6
68.21323	0.6
70.82185	0.6
73.49440	0.7
93.54611	0.8
100.21970	0.7
106.02998	1.8
111.69814	0.7
113.02498	0.8
133.01682	3.6
134.02492	17.2
134.06158	1.6
134.17990	0.8
146.05524	0.7
150.05618	5.1
159.03258	3.7
160.04034	15.8
161.01190	42.1
162.01974	100.0
176.03543	0.9
178.05156	5.7
204.03043	5.3
217.04927	0.9
222.04082	7.8
273.81979	0.7
324.07288	3.2
366.08286	17.6
426.10526	7.0
513.90991	0.8
522.79315	0.8
529.10944	1.7
571.12378	1.3
589.13251	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	589.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72100	0.5
102.75371	0.5
119.05025	64.8
145.02956	0.6
147.85683	0.5
163.04021	100.0
170.99921	0.5
187.03952	0.7
245.05742	0.5
261.07870	0.9
336.06406	1.1
351.09015	1.0
473.34579	0.7
588.47662	0.5
589.17651	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	589.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96865	2.8
56.58233	2.3
57.03442	7.4
59.01378	24.6
63.47709	2.7
68.95645	2.9
71.01373	24.1
72.99300	4.3
75.00853	25.1
85.02939	35.8
87.00883	3.4
88.90775	3.5
89.02443	5.7
91.09352	2.7
99.00876	13.8
101.02438	16.4
105.55338	3.2
113.02430	39.5
121.57708	2.8
161.04501	3.8
162.01990	3.1
169.24611	3.0
235.59105	3.0
421.79803	3.3
445.13464	19.6
487.14560	12.4
589.17633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91783	1.2
59.01376	8.1
59.32124	1.4
60.59237	1.4
71.01362	1.9
86.40343	1.2
89.02459	5.6
101.02462	6.0
118.35626	1.4
127.83910	1.3
135.19753	1.5
148.43146	1.4
193.86748	1.2
195.13884	13.9
223.13351	12.7
227.57010	1.5
253.09286	45.9
275.20102	8.7
293.21231	100.0
529.30255	15.5
533.10120	1.7
539.17139	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	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69670	0.8
58.34736	1.1
59.01381	12.2
59.55865	1.0
69.37160	1.1
70.90625	1.1
71.01375	1.9
71.18325	1.1
76.57974	1.0
89.02434	5.8
92.18459	1.6
101.02427	4.8
161.04506	1.5
171.10268	9.1
195.13799	10.3
196.00243	1.4
201.75775	1.2
253.09259	33.9
277.21725	29.1
295.22781	100.0
501.53174	1.5
531.31873	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	591.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09360	1.1
53.18083	0.9
56.12796	1.1
57.65030	1.1
61.98503	0.9
61.98814	2.9
84.00881	1.9
86.88821	1.1
92.19124	1.5
113.09685	1.7
121.10178	1.3
127.11314	1.3
127.74538	1.1
139.11258	8.2
153.14041	1.1
165.01178	1.3
171.10237	20.9
183.13890	1.4
193.12354	3.0
211.13379	10.0
229.14415	5.2
279.23279	100.0
293.21259	27.2
311.22305	62.3
329.23389	6.0
333.71985	1.3
417.18500	1.2
449.23959	1.3
452.09619	1.2
591.46332	88.0
614.62677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1525
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
51.76980	0.4
65.02570	0.4
65.23087	0.5
67.18585	0.5
77.20111	0.5
83.02535	0.5
92.19071	0.8
97.86655	0.5
123.12502	0.5
130.68858	0.5
152.01221	0.6
153.93797	0.5
284.03296	7.0
285.04083	100.0
311.05579	0.7
327.05420	0.6
413.08810	0.9
431.09897	0.6
533.26740	0.6
575.14203	0.7
593.15186	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32275	0.6
56.10111	0.8
61.47136	0.9
71.01347	0.8
93.63771	0.8
100.65092	1.0
104.55029	0.8
139.29225	0.9
168.64542	0.9
191.03491	1.5
298.04956	1.3
311.05518	3.5
312.06387	30.2
341.06628	1.8
353.06491	1.5
354.07407	0.9
355.08173	5.1
365.06573	1.3
368.05457	1.2
371.07925	1.1
383.07751	49.1
383.12662	2.2
385.09412	1.0
395.07678	6.4
398.06161	1.1
413.08801	24.1
425.08871	1.7
443.09851	3.5
455.09982	1.0
503.11874	5.1
593.15063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43946	0.3
57.22882	0.3
59.01375	30.6
71.01366	12.6
71.01752	0.4
73.02914	0.4
78.18368	0.3
83.01390	0.6
85.02949	2.6
87.21866	0.3
89.02425	11.1
89.02948	0.6
92.98451	0.3
95.01389	0.6
101.02415	7.4
113.02426	4.3
117.03448	0.4
119.03512	2.9
151.83392	0.3
166.62355	0.3
175.00375	0.5
269.04544	3.8
281.01791	0.3
281.04578	2.1
282.05301	3.2
283.06094	1.5
288.64658	0.3
293.04547	76.7
295.06070	1.7
297.04144	0.4
302.83569	0.3
309.04147	0.3
311.05627	6.9
314.04126	0.7
323.05579	4.5
335.05658	2.9
341.06699	4.0
353.06552	1.2
355.08115	0.6
383.07880	0.5
413.03403	0.6
413.08795	14.9
473.11166	0.6
482.65591	0.3
593.15118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98130	1.7
59.01365	8.7
64.85852	1.9
71.01369	8.7
72.13154	1.9
72.99309	2.9
73.53988	1.8
75.00862	3.0
79.03348	1.8
83.79343	1.8
84.98869	2.4
87.00835	5.0
89.02427	12.7
101.02429	4.3
113.02440	3.7
119.03503	3.0
121.45865	2.0
121.50641	2.2
134.03711	20.3
149.02396	3.4
149.06078	11.2
160.01610	14.2
160.78114	2.2
164.04761	20.2
167.46902	2.2
175.03970	62.3
179.07141	3.4
190.02711	23.7
193.05016	49.2
205.03119	3.0
205.05035	62.0
207.06746	3.1
221.08160	4.8
223.06108	41.3
235.06093	14.5
237.07559	2.2
265.07172	14.3
295.08163	8.5
312.88736	2.7
325.09012	2.4
517.15607	100.0
547.16687	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57287	3.3
59.01377	19.4
59.02220	3.8
92.43575	3.7
108.39066	4.3
113.71395	3.9
144.12082	4.1
161.52130	4.7
176.04742	8.6
184.25688	3.8
191.07143	57.0
267.06537	5.2
279.06741	5.0
282.08908	17.2
294.05469	7.7
294.08893	7.5
297.11234	17.3
308.06879	4.8
309.07648	21.5
322.08408	7.7
323.05627	13.3
323.09198	19.8
324.10034	5.4
326.07816	5.9
337.06906	4.0
338.07877	50.5
339.12405	8.6
341.10266	55.7
345.13260	8.1
351.11755	5.4
353.10275	71.4
364.09442	5.3
365.06384	15.8
371.11279	17.0
380.09033	19.4
383.11316	22.5
395.11438	37.7
413.12375	15.9
425.12543	6.9
443.13419	23.0
455.13626	31.7
473.14505	51.3
503.15729	9.3
533.16711	100.0
544.33093	4.2
615.32581	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	593.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
60.18224	1.5
76.52386	1.8
80.96521	4.1
87.00864	1.8
94.65347	1.8
94.98051	2.1
117.03434	3.4
132.80760	1.9
134.03731	100.0
135.04486	2.0
141.58247	1.8
149.06038	11.0
178.02678	2.5
192.04347	1.9
193.05057	48.3
199.38918	1.8
225.00768	7.7
287.05627	27.0
302.04764	3.4
302.07968	46.7
303.08496	3.0
317.10275	24.9
396.00272	2.0
593.19623	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	593.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97432	0.5
59.01377	0.9
61.24822	0.5
75.39380	0.6
79.61461	0.6
91.46745	0.7
92.18429	1.0
119.05028	0.8
123.37414	0.6
134.03758	3.8
149.06100	0.6
162.03197	0.7
163.04051	1.3
170.17542	0.6
170.55472	0.7
175.03975	12.4
176.04778	19.8
177.05530	3.5
178.19676	0.6
188.04782	0.6
190.06352	15.1
191.07109	2.6
193.05095	1.4
204.04268	21.1
208.03807	4.5
217.05086	1.4
218.05768	2.4
219.06601	37.4
219.08746	1.2
222.05284	7.1
253.05019	0.9
256.07251	0.8
268.07336	1.0
277.05048	4.0
280.07541	2.0
289.04968	2.8
320.06824	3.5
321.07596	6.4
335.09268	1.5
415.11957	0.8
424.09625	1.1
425.10889	1.0
427.11798	3.1
437.10291	2.5
439.12018	5.5
440.09061	3.2
443.11273	14.0
451.11835	4.1
452.08978	3.5
454.14429	1.0
455.11411	29.4
457.12912	2.3
458.13803	13.1
467.11386	17.0
469.12747	1.0
470.13626	16.4
471.14465	4.0
473.15979	10.8
482.13727	3.5
485.16089	15.9
497.16119	4.0
503.17145	50.5
515.17120	100.0
533.18317	4.9
593.19977	1.4
603.66925	0.8
611.82404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06392	0.1
52.95321	0.1
59.01379	1.5
60.13059	0.1
70.16464	0.1
71.01378	0.3
137.77017	0.2
188.54593	0.2
206.82132	0.1
221.19156	0.9
238.61372	0.1
239.20183	100.0
299.03928	0.2
301.21722	0.2
365.69278	0.2
384.34854	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	594.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30941	0.8
52.43905	1.1
56.06617	0.8
56.23823	0.8
59.01145	1.1
59.01390	15.1
65.75115	0.9
67.91931	0.8
69.10667	0.9
73.70227	0.9
74.69923	0.9
75.97010	1.0
77.14131	1.0
78.95903	15.8
82.76386	1.1
152.99553	13.8
168.04305	4.8
171.10266	29.7
196.48520	1.0
224.07011	10.9
241.01173	2.1
242.08081	1.3
277.21768	37.0
277.24838	1.5
278.21970	6.8
280.28488	1.1
295.22836	28.5
402.48965	1.2
486.76236	1.2
520.30499	100.0
594.27100	10.9
594.35803	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93340	1.1
59.01378	9.5
70.25142	1.1
71.06216	1.0
78.95904	5.9
80.96494	1.1
96.96880	1.1
105.36347	1.0
149.57762	1.0
152.99548	1.9
168.04298	1.5
224.06960	8.5
242.07922	1.8
243.49655	1.1
243.86110	1.2
265.21744	2.5
277.21738	7.8
295.22778	100.0
331.29926	1.1
444.81293	1.0
520.30450	88.9
594.26001	2.0
594.34271	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	594.342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.2
59.01662	0.5
64.35873	0.3
64.89728	0.3
71.29946	0.3
78.95905	10.1
88.04375	0.3
92.19083	0.7
110.43448	0.4
113.09744	2.4
122.98558	0.5
151.57275	0.4
152.99632	3.4
156.58154	0.3
157.08673	0.4
168.04330	5.3
179.14482	1.5
195.13916	28.9
224.06960	14.0
229.50972	0.3
242.08025	2.5
277.21738	26.6
289.67838	0.4
295.22809	77.2
340.10629	0.4
341.93469	0.4
449.23126	1.8
505.29007	0.4
520.30487	100.0
535.26630	1.4
594.34528	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	595.131
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
63.61376	1.8
66.70886	1.7
73.36475	1.9
92.18500	2.1
99.81773	2.2
100.24326	1.8
131.45313	1.7
137.02452	3.1
162.02032	3.9
198.78889	2.0
248.17993	2.2
291.65851	2.3
311.05487	8.0
313.07346	4.7
329.03104	2.1
339.05130	6.9
341.06625	8.2
367.04547	4.6
369.06091	4.2
371.07666	15.8
385.05493	8.0
397.05734	4.8
459.09088	2.9
595.13104	100.0
617.99481	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46577	2.1
81.86037	2.2
84.60493	2.4
110.95235	2.6
112.02863	2.5
119.05030	19.0
121.02937	2.6
123.00900	2.7
138.03233	19.6
140.30823	2.9
153.01941	2.6
153.05583	13.0
163.03966	18.6
176.04799	3.9
183.81500	2.4
191.03522	11.2
205.05125	19.5
206.05824	3.4
219.06544	3.4
232.03809	11.0
233.04587	10.5
247.06075	10.0
262.05389	2.3
327.08725	3.4
339.08838	2.8
340.05792	2.6
352.05942	4.1
355.08197	8.9
367.08185	10.8
371.07565	20.0
383.07449	3.6
385.09225	10.9
386.10101	14.6
401.12415	58.4
413.12280	18.7
431.13434	100.0
505.18759	3.9
517.18835	3.4
595.17841	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	595.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45307	0.9
59.01382	1.7
72.99294	1.3
75.00871	100.0
77.65159	0.8
80.31390	1.0
81.51234	0.9
93.45306	0.9
93.46737	0.9
111.16381	0.9
131.08754	0.9
136.01721	0.9
140.77740	1.0
275.89597	1.1
313.10956	1.3
357.93732	1.0
389.15900	3.9
592.82056	1.1
595.19574	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	596.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78403	1.1
59.01365	4.9
73.75713	1.3
75.00861	100.0
78.95897	2.8
82.52190	1.0
140.03752	1.1
168.04356	1.3
170.14568	1.3
224.06981	4.9
279.23221	2.1
281.24823	16.3
297.24323	31.7
319.14136	1.3
335.78598	1.2
463.16113	1.1
506.32346	20.2
508.63129	1.3
522.32013	23.1
596.35736	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	596.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36751	0.2
59.01380	14.0
72.24903	0.3
78.95898	10.4
80.25979	0.3
86.07738	0.3
86.40353	0.3
90.39681	0.3
113.09733	0.3
121.02915	0.4
152.99570	5.4
168.04292	5.8
183.13896	71.5
224.06927	15.7
224.09172	0.4
242.07973	3.4
278.22009	0.4
279.23285	12.2
295.22845	0.5
297.24350	77.8
451.24554	0.3
522.32031	100.0
537.28717	1.0
596.28204	0.8
596.35889	4.5
619.10809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57517	0.7
57.15670	0.8
58.44981	0.9
59.01384	9.6
62.87376	0.9
69.60910	0.8
69.74385	1.0
78.95901	9.2
92.18371	0.8
130.44521	0.8
152.99596	5.5
155.10834	1.3
158.42554	0.9
159.99162	0.9
164.33325	0.8
168.04306	4.7
169.82039	0.8
171.10329	9.2
224.06926	11.7
242.07976	3.4
279.23315	16.4
291.19775	1.1
295.22897	1.0
297.24371	100.0
522.32025	90.7
596.35669	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	600.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17218	0.1
54.45012	0.1
55.98939	0.1
57.88823	0.2
66.80627	0.1
74.80087	0.2
118.98035	0.3
123.26898	0.2
130.81483	0.2
137.38992	0.2
208.87543	0.2
225.16072	0.2
443.24319	0.2
553.66010	0.2
564.41321	1.0
600.39032	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	601.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07420	0.2
50.30679	0.2
56.25313	0.2
59.01358	0.3
61.76997	0.2
67.16371	0.2
71.01360	0.2
77.68024	0.2
78.95898	39.2
79.95729	0.3
84.99010	0.2
89.02439	0.4
96.95991	34.0
96.96941	100.0
101.02412	0.5
104.88567	0.2
109.05600	0.2
113.02412	0.4
160.28680	0.2
162.04768	0.3
165.04622	0.2
173.05635	0.6
185.94995	0.2
258.99399	0.4
259.02213	9.5
259.04526	1.0
259.06787	0.8
259.09244	1.0
259.12891	1.4
334.59955	0.2
439.08627	0.4
468.15298	0.3
496.71729	0.3
503.16116	2.4
555.23492	0.3
601.13867	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	601.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21797	0.5
59.01373	9.5
60.49419	0.5
65.55239	0.5
71.01369	3.8
73.02934	3.1
74.45171	0.6
83.01347	1.0
85.02937	0.8
85.95410	0.6
87.00854	3.2
89.02428	4.5
93.59386	0.8
101.02454	5.1
113.02415	3.2
116.92828	3.9
118.98109	1.1
132.02126	3.2
133.28490	0.7
134.03709	3.0
136.93312	0.7
137.02444	1.0
143.03513	1.2
146.08189	1.0
149.06104	0.7
151.03937	1.2
160.01637	55.0
161.04572	1.0
165.05486	0.8
167.82265	0.7
175.03979	100.0
193.04985	3.7
223.06204	0.7
337.09235	3.9
341.10800	1.0
383.11774	1.5
541.15540	3.1
559.16772	3.3
601.17847	36.8
601.26538	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	602.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22288	1.0
50.25845	1.0
51.52018	0.9
59.01373	2.3
60.49957	0.9
60.50940	1.0
61.31412	1.0
61.33826	1.0
71.01369	5.4
84.46303	1.2
85.02920	1.1
89.02432	1.3
101.02423	7.6
102.95094	1.3
112.67440	1.1
113.02454	5.0
119.05020	1.6
132.04506	1.7
136.34232	1.1
148.04037	1.5
160.04015	81.3
161.04552	2.2
162.01929	2.2
162.05608	27.6
178.05069	1.3
188.03497	43.7
206.04568	41.2
251.11182	2.6
278.06677	4.7
346.12506	1.2
572.21143	1.2
602.20978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66122	0.9
59.01385	17.1
70.02966	1.2
71.01070	0.9
71.01380	53.3
71.05022	5.1
83.01389	7.7
85.02943	4.9
87.00877	7.8
88.04037	55.1
89.02437	39.3
97.29635	1.0
101.02434	17.5
113.02448	22.9
114.34365	1.2
119.03468	16.4
123.52686	1.3
131.03455	1.7
143.03481	5.2
146.08224	48.2
161.04550	6.6
162.02042	1.3
179.05597	8.0
202.01440	2.2
218.10333	46.9
233.01352	1.2
236.52216	1.0
256.73935	1.1
323.09985	4.9
341.10913	72.5
341.15112	2.6
395.12070	13.3
542.20984	100.0
602.18103	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	604.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
70.63373	0.4
71.01364	3.8
73.02917	1.7
75.00858	4.0
79.62124	0.4
83.04986	0.4
85.02928	5.1
88.04050	0.4
89.02431	2.3
99.00867	0.5
101.02430	3.8
106.02950	4.7
107.19051	0.4
113.02415	2.0
116.92812	0.5
124.48772	0.4
125.02416	0.9
134.02466	17.7
143.03490	0.8
159.03139	0.7
159.66792	0.4
160.04005	10.9
161.04576	2.3
162.01944	100.0
186.01900	2.6
204.02971	3.6
222.07796	0.6
237.09775	3.5
381.13837	4.5
399.14899	2.5
428.69876	0.4
441.16074	17.4
475.92691	0.4
476.00516	0.5
544.21497	1.7
586.17615	5.3
604.18781	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	604.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96522	1.2
51.10301	1.0
52.70081	1.0
59.01369	5.5
66.32458	1.2
72.93652	1.4
106.02982	2.9
134.02470	18.1
137.09702	3.0
160.04013	3.2
162.01945	100.0
222.04044	2.5
324.07288	2.0
330.14035	2.3
357.23837	1.4
561.89453	1.6
604.20337	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	605.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47182	0.9
59.01396	1.2
62.07140	0.9
69.82811	1.0
175.03996	2.0
181.54672	1.0
183.27995	1.4
190.06387	6.3
222.05330	1.7
268.11252	1.1
279.06598	1.7
281.08212	1.4
282.09158	1.7
283.09720	1.5
292.04016	1.1
292.07333	1.5
294.08887	8.3
296.10611	4.6
297.07712	14.8
308.10614	6.1
309.07690	41.3
309.11322	15.5
312.10056	44.5
313.11121	1.5
323.09204	5.1
324.10059	44.4
327.12384	100.0
339.12399	77.0
339.16568	1.5
482.38263	1.3
524.59949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73020	0.5
53.26994	0.5
57.03449	0.7
57.90164	0.7
59.01385	6.5
68.33835	0.7
71.01379	22.2
73.02938	1.3
81.75747	0.7
82.23450	0.6
83.01367	1.2
85.02941	16.5
87.00861	5.6
89.02460	8.2
95.01385	2.7
97.02921	0.9
101.02442	3.7
108.90233	0.8
110.89896	0.9
111.00878	1.4
113.02441	32.1
116.99054	0.7
119.03472	0.9
129.01941	1.3
131.03474	4.1
139.00410	1.0
151.06120	28.2
173.04561	9.7
181.96410	0.7
189.04047	1.1
191.99471	0.7
201.04042	2.5
203.05630	1.2
203.08591	0.8
211.16484	0.7
215.05690	0.9
245.06535	1.6
247.11105	0.7
288.88870	0.9
317.08932	2.6
398.22995	0.7
485.48877	0.8
605.19446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85120	1.1
59.01382	30.6
71.01381	28.1
73.02949	5.0
75.26906	1.0
83.01384	8.4
85.02953	9.3
87.00872	37.3
89.02435	29.6
95.01382	2.5
101.02450	19.8
113.02444	27.9
119.03485	9.5
125.02486	1.3
141.01892	1.8
143.03514	2.4
161.04576	6.5
179.05620	7.4
205.24040	1.3
216.33501	1.1
281.24875	100.0
285.79950	1.3
295.26422	51.3
323.09897	30.0
323.25815	9.6
325.90967	1.3
341.10910	64.3
605.35547	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	606.0752
Annotation	Uridine-5'-diphospho-N-acetylglucosamine  sodium salt 
Peak:m/z	Relative Intensity
52.32051	0.3
58.95599	0.3
59.69965	0.3
61.16026	0.3
68.06006	0.3
71.36832	0.3
72.87973	0.3
74.13389	0.3
78.95902	66.3
81.00259	0.3
88.06820	0.3
88.87049	0.3
90.97467	0.3
96.96961	15.3
111.01994	12.6
138.98035	0.5
150.98021	0.4
158.92538	44.4
162.98010	0.7
174.98018	3.9
176.93597	10.7
178.95085	3.0
179.95247	0.6
192.99077	0.5
210.99986	0.9
222.01724	0.5
240.02744	1.4
246.01700	0.6
260.95749	2.1
264.02759	0.7
272.95728	22.6
282.03860	17.9
300.04910	1.8
305.01877	2.7
320.96362	1.7
321.96375	0.7
323.02933	2.6
353.64114	0.4
362.00488	2.2
384.98523	9.7
402.99588	2.5
462.97195	0.6
463.97568	0.6
547.23462	0.4
606.07520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97205	0.5
59.01374	8.7
71.01382	1.3
88.04036	5.3
101.02418	0.8
115.00688	0.6
121.02911	1.3
122.02495	0.6
123.00846	2.8
124.01633	41.5
127.93610	0.6
134.41177	0.6
138.03261	4.7
139.03992	100.0
146.08179	1.2
150.02972	0.6
169.20790	0.6
181.04982	1.0
203.05592	4.1
208.43253	0.5
218.10226	5.2
283.08301	5.9
343.10294	34.8
393.15213	0.6
442.17221	0.5
448.47366	0.6
449.84024	0.6
451.86047	0.6
571.18701	0.7
574.95972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14328	0.9
56.53327	0.9
57.03453	1.2
59.01382	13.0
71.01386	7.5
73.02934	6.1
78.07502	1.0
83.01356	1.1
85.02979	1.2
87.00898	1.5
89.02420	1.3
101.02450	8.7
113.02439	4.3
119.08652	1.1
134.02510	3.8
137.09734	15.0
160.04036	6.8
162.00700	1.6
162.01993	29.6
171.59738	1.1
177.12900	1.9
178.32799	1.1
192.81577	1.2
221.11879	2.1
239.12926	45.7
254.53004	1.2
383.17230	1.2
400.04068	1.2
401.18170	12.1
443.19254	18.1
597.39581	1.4
606.22058	100.0
610.38208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14238	0.9
57.49596	1.0
59.01374	12.1
61.53480	1.1
72.94997	1.2
78.95907	9.2
87.15146	1.0
91.00571	1.1
92.30190	1.2
96.28458	1.3
140.73373	1.3
152.99564	2.8
154.09042	1.1
168.04324	1.7
185.47179	1.1
192.82323	1.4
224.06985	9.6
242.08214	1.6
255.23291	7.1
282.25482	1.9
307.26456	100.0
341.10855	1.5
532.34174	69.9
606.38098	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	607.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
60.99304	10.7
71.01373	4.0
71.56509	0.8
73.07757	0.7
77.89490	0.9
87.00863	1.9
88.98793	100.0
89.02428	7.6
101.02396	3.1
103.19037	0.8
113.02442	1.0
125.77865	0.9
134.03708	9.6
137.02495	1.0
149.02446	1.2
149.06075	1.3
160.01598	5.6
162.01958	4.4
164.04758	10.5
175.03976	24.6
176.04428	0.9
179.07147	1.7
190.02718	9.6
191.07074	1.0
193.05058	16.7
205.05037	27.1
207.06551	1.1
208.03758	1.1
221.08286	3.3
223.06131	16.2
235.06140	4.7
265.07132	7.3
295.08228	1.1
354.68686	0.9
367.10352	1.1
517.15631	35.1
547.16693	46.7
607.12738	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	607.1676
Annotation	Neodiosmin
Peak:m/z	Relative Intensity
50.43558	0.1
55.59903	0.1
56.56033	0.1
59.01390	0.1
62.89865	0.1
65.00354	0.1
88.84551	0.1
92.18399	0.1
137.02440	0.4
137.09772	0.1
172.49661	0.1
239.12819	0.7
255.02962	1.3
283.02499	2.7
284.03259	37.0
285.04123	0.8
297.04077	0.8
298.04794	1.5
299.05606	100.0
313.03571	0.5
341.06400	0.2
347.73047	0.1
379.69403	0.1
447.09360	0.5
473.77530	0.1
511.91766	0.1
607.16699	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	607.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29696	0.5
59.01381	6.2
60.99308	4.2
68.99854	0.6
71.01376	5.6
73.02955	0.8
73.37312	0.6
74.20203	0.6
82.31038	0.6
85.02939	1.4
87.00867	2.5
88.98807	32.2
89.02438	7.2
101.02452	4.8
108.50246	0.6
113.02472	4.4
119.03474	0.8
134.03723	0.9
142.55374	0.6
143.03539	0.8
149.02452	6.1
149.06125	0.9
160.01685	0.6
162.01985	2.3
164.04800	22.8
164.77734	0.6
175.04018	4.3
179.07137	4.4
190.02739	19.3
191.07152	0.8
193.05031	5.5
205.05081	56.9
206.05870	0.9
208.03804	3.0
221.08150	4.9
223.06140	30.8
235.06326	1.1
235.79541	0.7
237.07729	2.6
251.03366	0.7
265.07205	10.8
279.02982	1.5
283.93002	0.7
295.08304	1.5
307.02548	0.9
325.09369	1.4
385.11661	0.9
517.15601	7.2
547.16766	100.0
607.12915	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55850	0.7
59.01374	4.5
71.01365	1.3
71.04993	0.6
73.02939	0.9
74.01134	0.8
74.47979	0.6
85.02959	1.0
92.18492	1.0
93.77488	0.9
101.02444	0.8
134.02452	0.9
136.05276	1.5
137.02406	1.3
137.09767	1.1
137.59863	0.8
149.02397	0.8
150.03197	1.8
158.69458	0.7
159.04480	1.4
160.04099	1.3
160.05269	10.1
161.06038	1.2
162.01938	5.7
163.02338	1.0
163.04018	3.0
164.04755	3.6
173.06102	1.1
175.07634	31.7
177.05573	6.9
178.06326	17.4
192.07928	10.6
193.08679	3.5
207.06340	0.9
215.67615	0.8
221.39755	0.7
234.10365	0.7
239.12929	4.5
240.13135	5.4
263.17386	0.8
299.12778	1.1
314.11517	1.2
329.13947	100.0
359.15005	23.6
364.05728	0.8
410.50397	1.0
444.19528	1.5
507.30002	0.8
563.21442	3.1
607.22540	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	607.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77603	1.4
59.01377	38.8
70.82958	1.3
71.01369	22.6
73.02964	1.2
84.92296	1.5
85.02937	28.2
89.02435	49.7
89.67427	1.2
96.28983	2.1
96.54606	1.4
101.02426	20.9
103.00388	3.1
113.02433	15.5
119.03486	21.4
131.03470	2.6
136.04016	2.6
161.04498	1.9
165.06607	2.1
179.05624	7.5
193.01770	2.6
193.03484	3.5
212.15729	1.4
217.92882	1.5
221.09213	2.0
265.09323	100.0
265.66568	1.6
341.11078	2.0
345.72989	1.5
479.56833	1.7
607.20728	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	607.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06253	3.0
59.01372	38.6
59.22958	2.9
60.92891	3.6
62.06005	3.7
64.09285	3.8
64.37486	3.4
64.60363	4.0
70.20818	3.1
71.01373	47.4
73.02930	47.2
83.01372	9.5
85.02927	8.0
89.02427	48.5
93.03455	8.7
97.02946	27.3
97.91232	3.9
101.02435	81.1
101.06066	17.0
106.37693	4.7
113.02428	20.1
115.04025	4.7
115.10123	3.7
116.92855	17.5
119.03465	17.0
125.02467	3.9
137.02444	42.2
143.03497	7.1
151.02130	3.7
153.09221	5.7
161.04521	100.0
179.05605	28.1
191.10774	5.9
221.06520	6.4
237.58545	4.2
249.06036	5.0
255.12340	77.1
256.81332	4.2
263.07703	14.6
341.10840	38.9
343.06036	4.1
351.12964	28.1
458.79651	3.8
547.24176	26.1
587.75415	4.7
607.20251	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72614	2.8
63.71661	2.7
70.10835	3.5
78.15922	2.7
89.02485	2.7
139.11263	12.7
145.74541	3.4
171.10255	24.9
195.13925	18.1
199.39734	3.3
211.13426	7.8
253.21913	5.6
277.21719	33.3
284.33597	3.8
293.21265	13.5
295.22824	56.6
311.22284	37.8
329.23315	4.3
336.17166	3.1
451.20355	4.1
607.36456	7.0
607.45886	100.0
620.55597	4.3
632.93121	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	608.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47388	0.4
59.01381	9.2
71.01382	7.9
72.99297	0.5
73.02940	0.9
83.01380	0.5
85.02454	0.3
85.02945	2.5
86.46757	0.4
87.00866	0.6
89.02431	9.2
99.00835	0.5
101.02430	4.6
113.02433	5.7
116.02498	0.3
119.03472	1.6
120.30278	0.5
122.02470	100.0
122.93036	0.4
125.02415	1.7
127.84070	0.4
129.01935	3.9
131.03555	0.4
136.04010	1.8
143.03500	1.6
160.43988	0.4
161.04591	0.8
162.01945	0.5
177.77794	0.4
179.05602	1.6
183.52190	0.4
190.05112	1.8
218.04507	0.8
260.89682	0.4
266.06622	0.8
323.09723	0.7
446.13315	0.6
485.15100	11.8
608.18402	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	608.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
65.84058	2.0
69.45264	1.6
78.95905	11.4
84.00900	4.4
95.36029	1.8
118.74690	1.7
152.99625	2.1
171.10228	2.6
224.06958	4.8
235.85252	2.0
291.14407	2.0
297.49799	2.2
309.28006	100.0
333.58765	2.0
534.35632	67.1
608.46332	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	609.1439
Annotation	6-C-Glucosylkaempferol 3-O-glucoside
Peak:m/z	Relative Intensity
50.28328	0.4
54.57695	0.5
54.94009	0.5
55.97903	0.5
59.01377	7.6
69.25605	0.4
70.80573	0.4
71.01379	5.0
72.99294	1.0
73.02922	0.6
83.01359	0.7
85.02929	0.9
87.00829	0.8
88.98788	1.3
89.02441	4.7
91.00350	1.1
101.02425	5.3
101.24052	0.5
113.02374	1.9
119.03495	1.0
133.02908	0.9
134.03719	4.0
149.06006	0.7
160.01633	1.3
164.04770	2.6
175.03966	8.7
189.35320	0.6
190.02672	0.9
193.05022	7.1
205.05040	3.9
206.05338	2.4
207.05617	1.0
221.08081	0.7
223.06123	2.6
225.06651	0.9
235.06116	1.3
255.02940	3.2
265.07126	0.8
274.77423	0.6
283.02402	0.9
284.03296	4.1
285.04050	10.7
297.04041	7.5
298.04813	59.8
299.05569	2.1
309.04028	28.8
311.05539	3.0
325.03540	2.7
326.04178	4.9
327.05090	23.2
330.03876	4.0
338.04364	4.6
339.05093	8.5
341.06555	0.6
351.04987	3.3
355.04507	0.6
357.06134	7.4
369.06287	3.8
381.06210	2.1
429.08072	5.7
447.08997	2.8
489.10303	11.0
517.15723	14.1
548.17346	0.8
549.17133	9.6
549.25519	7.6
609.14636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1467
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
61.36621	0.2
61.92618	0.2
68.48479	0.2
87.00909	0.3
103.59758	0.3
107.01376	0.4
109.02979	0.3
121.02958	0.9
125.73110	0.2
125.95338	0.2
149.02472	0.2
151.00369	6.6
163.00392	0.5
178.99850	5.4
190.99771	0.3
191.03497	0.4
193.01308	0.3
195.69374	0.2
227.03499	0.3
242.02406	0.3
243.02943	1.3
245.04463	0.9
254.02200	0.5
255.02980	8.7
270.01593	0.3
271.02466	17.4
272.03235	1.9
273.03952	0.5
283.02441	1.5
299.01892	0.4
300.02747	100.0
301.03522	26.8
311.66467	0.3
530.61035	0.3
609.14636	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	609.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18369	0.2
57.03440	0.4
59.01101	0.5
59.01371	7.0
65.37077	0.2
67.20190	0.3
69.03429	0.3
71.01367	9.8
72.99294	1.1
73.02917	0.5
74.99101	0.4
75.00854	5.2
77.91223	0.2
85.02933	10.0
85.63888	0.3
87.00852	5.5
89.02423	5.6
95.01362	2.1
99.00852	3.5
101.02419	1.6
103.00361	1.6
105.01923	0.4
112.01619	0.4
113.02423	26.5
115.00346	0.4
117.01912	1.1
119.03487	0.5
129.01892	1.9
131.03471	1.1
135.03062	1.9
149.04518	0.4
151.02608	0.5
152.01161	0.6
157.01384	0.4
168.96742	0.3
175.02507	1.5
179.03801	0.3
195.05183	0.3
204.55434	0.3
207.05072	1.5
249.06061	3.3
265.09183	0.9
266.09433	0.3
267.07211	100.0
341.10602	0.3
397.93707	0.3
473.68225	0.2
586.50208	0.3
609.17249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56289	3.1
56.34673	3.4
57.28102	3.7
59.01376	4.1
65.86439	3.7
76.91786	3.7
82.40282	3.9
83.22871	3.9
84.18551	4.4
103.74021	4.8
119.05011	39.0
121.02924	4.3
134.03748	37.4
145.02962	22.7
149.06126	8.9
150.03255	38.1
163.03987	34.0
165.05574	42.4
175.04050	7.8
177.05594	7.2
193.05093	39.8
282.08887	4.5
337.26840	4.4
413.12418	100.0
561.17719	17.9
609.18457	41.8
611.70868	5.0
636.09467	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	609.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81830	1.6
52.34175	1.4
59.01372	48.3
60.31628	1.4
63.59413	2.1
71.01372	24.8
71.05463	1.6
80.17820	1.9
85.02945	3.5
89.02428	31.4
89.68629	1.7
92.18999	2.1
101.02424	19.9
109.81388	2.0
113.02435	13.2
119.03487	10.2
144.23595	1.9
162.02016	2.3
175.04039	2.3
181.09044	1.8
217.22409	1.8
353.75525	1.8
387.20847	2.6
447.10007	1.9
482.31375	2.0
517.15881	3.1
549.25543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51529	0.1
58.54670	0.2
59.01381	0.4
73.65683	0.2
92.18378	0.2
104.21749	0.2
142.85324	0.2
157.15526	0.2
253.21791	0.2
279.23291	100.0
330.68567	0.2
493.66605	0.2
494.51071	0.2
515.26538	0.2
609.47333	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	610.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97062	3.5
57.25163	5.3
59.01385	8.7
61.90504	4.1
65.02845	4.3
78.95891	62.6
91.09772	4.3
94.25008	4.3
96.96976	6.6
99.04546	5.1
111.95728	6.2
141.56361	4.8
152.99660	16.0
156.95158	5.3
168.04323	22.2
179.01183	27.6
183.10239	10.5
223.13470	8.8
224.07051	19.5
242.07971	4.3
248.07948	4.3
293.21249	100.0
373.90259	4.7
393.69449	4.7
447.21640	4.8
518.29205	33.3
536.29529	54.5
552.54718	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	610.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47678	1.3
56.39504	1.4
59.01375	11.5
66.26886	1.6
73.51498	1.6
75.48666	2.0
78.95902	6.5
83.53455	2.0
89.36514	1.6
103.63988	1.8
106.46098	1.5
115.09943	2.0
133.56964	1.6
150.36644	1.8
152.99561	2.6
213.81946	1.8
224.06889	8.6
255.23244	38.7
256.23618	30.0
311.29578	100.0
511.20056	1.8
536.37201	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	610.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56991	0.2
65.63724	0.2
79.30910	0.2
86.72651	0.2
92.18346	0.3
95.05091	0.9
98.82517	0.2
109.54793	0.3
112.07664	5.8
113.06107	1.5
129.10329	3.9
130.07253	0.3
130.08713	9.9
172.50444	0.3
207.15044	2.7
208.13449	0.5
224.17711	2.6
225.16051	17.0
242.18732	0.3
320.23349	2.2
325.87512	0.2
337.26129	3.3
338.24548	3.9
356.70633	0.3
433.32065	1.0
450.34479	2.8
451.32709	0.4
546.40253	8.3
564.41260	100.0
610.41785	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	611.1446
Annotation	Glutathione (oxidized form)
Peak:m/z	Relative Intensity
52.48408	0.9
58.02953	1.7
60.35721	1.0
64.08070	0.8
64.80269	1.0
71.01380	2.4
74.02468	14.8
86.02460	6.4
97.04043	1.5
99.05616	9.5
100.00414	1.2
113.02395	1.6
123.05527	1.2
127.05080	1.5
128.03522	52.6
143.04607	73.1
146.04588	7.4
153.06657	6.8
155.65707	1.2
160.00729	16.6
166.09862	1.9
167.03630	1.6
167.04753	2.0
169.06180	2.7
170.03137	1.3
175.01726	2.4
177.03343	6.1
179.04588	20.4
181.06271	1.5
185.05666	2.6
192.07718	1.4
197.05629	3.8
210.08847	21.1
242.07776	1.4
254.07843	9.9
267.07187	5.5
268.07516	4.7
269.07037	8.6
272.08905	17.9
274.39728	1.3
304.06055	2.7
306.07639	54.9
338.04825	11.8
438.08731	1.1
482.10452	1.6
568.27808	1.3
593.13318	2.5
611.14496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2136
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
50.64734	3.8
51.62547	4.7
52.30332	4.3
67.00832	4.8
67.01216	4.4
102.65379	4.5
107.69889	5.0
114.10417	5.1
134.03731	96.2
146.81670	5.5
149.06088	11.1
156.16782	4.7
160.01633	11.0
162.03148	6.4
166.17760	5.0
175.04034	25.3
178.02689	8.2
179.03514	9.7
181.05038	7.0
193.05025	76.4
206.64116	5.5
217.11641	5.1
245.97585	5.5
317.01733	5.4
524.72589	5.3
611.20911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2137
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
51.76795	0.5
59.01375	0.7
71.01368	0.6
72.23006	0.5
75.38160	0.5
80.56137	0.5
93.03443	1.1
101.02455	0.8
109.45828	0.5
121.02876	0.6
124.53358	0.6
136.01624	0.6
137.02428	11.0
137.03358	0.8
146.57353	0.7
160.05264	1.2
162.03227	52.7
163.04008	2.1
166.53864	0.5
167.03496	0.6
175.07664	2.5
177.05579	100.0
178.06357	1.0
207.06622	2.2
215.48454	0.6
240.04390	1.1
244.12788	0.7
269.50854	0.6
281.06641	6.5
283.06012	0.7
295.06207	8.4
298.08441	4.8
310.08466	9.0
311.12875	0.6
313.10864	3.4
325.10999	4.1
343.11880	2.6
373.12924	3.6
521.18359	2.6
533.18005	6.2
611.21796	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	613.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17334	0.9
59.01362	1.2
73.12041	1.2
87.03008	1.2
104.00494	1.2
128.64235	1.1
136.05121	1.2
160.28021	1.2
163.06241	1.1
171.10275	40.8
277.21716	49.2
281.24850	12.5
295.22736	37.7
371.03644	1.1
449.26843	5.1
514.75616	1.4
613.44507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20733	2.3
59.01376	17.4
61.13663	2.1
69.48143	2.1
71.00999	4.8
71.01380	100.0
71.01778	3.7
71.05009	5.7
73.02950	8.9
75.00868	16.2
75.94094	2.0
83.01384	3.7
85.02932	21.3
86.07556	2.4
87.00890	2.9
88.04032	45.8
89.02441	11.0
89.06039	2.7
99.00861	3.0
101.02433	23.8
113.02437	11.2
116.80309	2.8
125.02411	3.7
143.03485	4.2
146.08234	70.7
161.04631	17.4
167.15822	2.3
168.12184	2.5
218.10306	33.9
227.10489	2.9
251.11401	14.7
280.61365	2.5
288.23505	3.1
358.70282	2.7
362.14700	27.3
395.15445	24.8
413.16702	81.8
467.17685	42.5
614.26746	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51330	0.9
55.83728	0.8
58.59706	0.8
59.01386	5.8
60.78089	0.8
61.98833	14.6
67.09632	0.9
67.21578	0.8
71.81850	1.0
73.51641	0.9
78.95897	8.3
127.11275	1.0
133.42422	1.1
152.99586	4.3
168.04343	4.1
224.06982	12.1
242.08061	1.7
297.24481	9.6
313.23828	5.9
315.25418	100.0
469.25806	4.4
531.95227	1.5
540.33142	77.9
554.35638	1.4
614.36816	5.0
644.18597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01452	0.7
51.94387	0.6
54.67697	0.9
55.60579	0.7
59.01373	0.8
71.01366	0.8
78.95897	39.2
78.97804	0.7
92.18569	4.6
96.62310	0.8
96.95998	42.0
96.96955	100.0
101.02379	0.8
112.42867	0.7
134.03751	1.4
175.04021	6.9
178.10750	0.9
181.89740	0.8
191.99788	0.8
193.05115	6.0
206.28604	0.8
278.13379	1.1
288.37592	0.9
517.15509	11.7
538.56598	0.9
579.12872	0.9
594.58008	0.9
615.13568	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	615.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69523	0.2
53.20067	0.2
59.01369	0.3
71.01369	0.3
74.00704	1.9
78.95436	0.6
78.95895	17.4
89.02368	0.3
96.96935	0.4
110.89918	2.4
110.98515	32.0
134.28299	0.3
136.00726	2.2
136.99147	0.3
138.05620	0.4
241.01198	11.1
247.13271	0.2
273.03796	100.0
302.22583	0.3
332.74457	0.3
503.16043	1.0
522.16974	0.3
615.15326	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39481	0.6
61.10046	0.7
68.41183	0.7
68.99899	0.6
81.80516	0.7
83.39217	0.6
126.34971	0.7
136.14198	0.7
138.69623	0.7
155.10732	7.1
165.46056	0.8
171.10255	9.7
190.82066	0.7
212.62085	0.8
279.23294	19.1
295.22928	1.2
297.24384	100.0
617.47797	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	618.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12958	0.2
59.01100	0.3
59.01374	3.8
71.01364	2.5
73.02928	0.8
75.00859	3.1
78.03482	0.8
83.01358	0.2
83.13320	0.2
83.82819	0.2
85.02929	3.4
87.00867	0.3
87.04511	0.2
87.31768	0.2
89.02420	1.1
89.06077	0.4
91.01888	0.2
99.00847	0.2
101.02432	3.4
106.02966	4.3
113.02427	1.4
125.02408	1.0
134.02458	15.5
137.89772	0.2
143.03558	0.6
145.05247	0.2
159.03250	0.3
160.04025	11.2
161.04526	2.2
162.01944	100.0
176.03506	0.2
178.04947	0.2
186.01968	2.7
204.02946	3.0
204.36221	0.2
251.11317	2.6
254.06587	0.2
276.14978	0.2
395.15405	3.1
413.16464	2.2
455.17703	17.8
500.42142	0.3
600.19397	5.4
618.20380	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	619.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65417	1.4
59.01375	8.6
60.91405	1.4
61.98834	1.5
71.01374	10.0
73.02911	1.8
85.02939	3.3
99.62839	1.5
101.02431	10.5
105.87389	1.5
112.94324	1.8
113.02399	2.1
116.92829	3.6
121.02936	2.3
138.17375	1.5
147.04515	2.9
149.02400	14.3
151.03949	1.9
161.04593	3.4
164.04784	50.8
179.07158	1.9
185.92429	1.7
190.02702	43.1
197.25705	1.7
205.05045	78.9
205.59679	2.0
209.04579	2.5
221.64946	1.7
223.06084	35.4
247.57524	1.5
257.14371	2.0
258.26465	2.0
353.16391	1.9
396.56979	1.7
444.52588	1.8
519.10748	1.7
619.22662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2917
Annotation	Thapsitranstagin
Peak:m/z	Relative Intensity
57.03453	41.5
59.01380	25.2
71.01382	14.9
73.02919	5.5
83.01349	1.4
85.02944	6.3
89.09364	1.3
99.03943	1.6
99.04519	34.4
101.02438	18.6
113.02445	9.4
116.92827	2.5
118.29445	1.4
125.02435	5.4
142.03613	1.3
163.03983	1.4
170.89246	1.7
188.20459	1.6
215.47031	1.6
311.22232	1.9
372.80673	1.6
477.24918	7.3
621.29242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38785	0.9
52.75689	0.8
52.94782	0.8
59.01380	100.0
60.09998	0.9
64.60216	1.0
71.01349	1.4
74.24482	0.8
74.59402	0.9
75.49349	0.9
89.02456	1.7
90.45449	1.1
101.02496	1.0
105.05877	1.2
111.90446	0.9
113.02425	1.0
265.32330	1.0
450.22958	1.2
521.44495	1.4
554.94006	1.3
561.41504	4.0
621.43359	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	622.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
67.67851	0.2
71.01377	2.8
73.02933	0.7
78.03483	1.1
82.06477	0.3
83.01376	0.5
85.02940	1.5
87.00859	0.6
89.02430	1.9
93.03442	6.3
97.02942	0.4
99.00864	0.6
101.02416	2.6
106.02972	4.3
107.64327	0.3
109.92936	0.3
112.47542	0.3
113.02421	1.7
119.03472	0.4
123.98372	0.3
125.02435	2.2
128.59593	0.3
134.02472	17.2
134.03502	0.6
141.19533	0.3
143.03493	1.8
159.03125	0.3
160.04027	13.3
161.04536	1.6
162.01958	100.0
176.03490	0.4
178.05214	0.4
185.37515	0.3
186.02000	1.7
204.02994	4.4
238.33871	0.3
242.53801	0.3
245.06622	0.4
276.06686	0.3
305.08752	1.4
365.10770	1.4
399.12952	3.5
400.74487	0.3
432.01147	0.3
459.09787	0.5
459.15085	13.6
604.16779	5.1
622.17798	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	622.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00895	1.3
54.90829	1.2
58.02973	2.1
72.01740	1.3
74.02468	14.7
84.85953	1.4
86.02425	6.4
92.77737	1.5
99.05624	7.7
128.03525	41.8
135.05618	2.1
141.06659	2.2
143.04608	63.6
145.06171	2.3
146.04546	9.5
153.06688	2.2
160.00690	17.2
166.09772	2.8
167.04532	3.4
177.03345	6.7
179.04643	13.8
185.05685	1.9
197.05669	2.4
210.08875	14.6
211.30809	1.6
254.07799	8.4
272.08823	8.7
288.06506	1.9
306.07645	43.8
495.42249	1.6
622.27960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1615
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
50.84454	0.2
54.22147	0.2
57.03432	0.3
58.00570	0.3
59.01374	28.2
59.24691	0.2
71.01366	10.7
72.99296	0.5
73.02930	0.4
74.98895	0.3
76.50069	0.2
78.95905	0.5
79.59309	0.3
83.01363	0.5
85.02935	2.2
87.00845	0.3
89.02428	10.3
95.01386	0.3
96.95985	1.1
96.96957	1.3
101.02420	7.4
113.02416	4.3
119.03461	2.9
127.07626	6.5
137.02373	0.5
171.06612	8.4
175.15918	0.3
179.03481	0.3
179.05511	0.3
194.92638	0.3
253.76166	0.3
284.03265	0.4
297.04025	1.2
298.04633	2.5
299.05502	3.1
307.02374	0.6
308.03226	23.1
309.03897	0.6
310.04800	0.4
311.05566	1.9
312.06418	1.9
323.05579	41.2
325.07166	1.0
338.04260	1.2
339.05173	0.4
341.06631	5.2
344.05286	1.1
350.04288	1.0
353.06610	2.5
365.06564	1.4
371.07675	2.8
383.07623	1.2
385.09412	0.4
419.23758	0.3
428.07584	1.9
443.09781	13.4
503.11874	0.5
623.16138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1621
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.01458	0.3
56.47483	0.4
59.01387	0.7
76.83518	0.4
89.02416	0.4
151.00348	1.8
156.23827	0.4
163.00311	0.4
175.03934	0.5
243.02960	6.6
244.03772	0.7
254.08029	0.4
255.00345	0.5
255.02930	4.9
257.04510	2.2
259.06305	0.5
271.02441	12.9
272.03336	3.9
285.04080	5.0
286.04871	2.5
287.05493	2.7
299.01971	37.7
300.02762	38.9
314.04340	45.8
315.05115	69.2
342.03998	0.4
623.16193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22663	0.5
59.01384	8.4
60.56187	0.4
71.01382	9.2
73.02927	0.8
77.14159	0.5
85.02959	4.2
87.00861	0.8
89.02451	10.7
92.18432	0.5
93.03446	17.9
95.01385	0.8
97.02937	0.8
99.00903	0.6
101.02444	6.4
106.51262	0.5
109.25800	0.5
111.00887	0.6
113.01714	1.0
113.02451	19.9
119.03476	2.6
125.02415	3.7
126.76879	0.6
129.01936	2.9
134.80850	0.6
136.01711	0.8
137.02451	100.0
143.03514	2.8
151.04016	0.6
160.03893	0.7
161.04547	1.2
162.01990	0.8
179.03493	8.3
179.05649	1.0
209.04559	4.9
233.04613	1.1
239.05635	3.1
263.05704	1.3
281.06683	4.0
288.71252	0.6
323.13657	1.0
443.12048	0.6
562.75238	0.6
623.18378	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	623.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48247	0.3
73.64415	0.3
76.46487	0.3
93.24608	0.3
109.88872	0.4
171.38263	0.4
192.66821	0.4
232.44989	0.4
257.55832	0.4
267.23309	100.0
345.88083	0.4
623.38751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26577	0.4
52.95647	0.4
56.00434	0.4
56.57555	0.4
56.93867	0.4
59.01360	1.0
66.12777	0.5
71.01367	0.5
71.10011	0.5
71.48485	0.5
113.02428	0.6
113.50200	0.6
120.99600	0.5
133.01546	5.0
141.36502	0.5
148.58626	0.5
150.04198	100.0
183.35477	0.5
214.40767	0.5
282.08432	74.6
341.10754	1.2
441.29224	0.6
504.16110	0.6
624.19794	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	624.2968
Annotation	EXC4
Peak:m/z	Relative Intensity
58.02964	2.5
70.48230	0.9
74.02466	20.2
77.09911	1.0
81.12414	1.0
86.02484	5.9
87.05621	1.7
89.16859	1.3
92.18414	1.7
99.05636	13.8
99.58237	1.1
101.07232	1.8
112.03996	1.3
127.05167	2.2
128.03528	49.4
134.03699	1.3
135.05635	3.9
141.06697	1.9
143.04610	91.0
145.06166	2.3
146.04616	8.0
147.89876	1.2
153.06705	8.5
155.08252	1.2
160.00699	20.4
162.02168	1.2
166.09853	4.4
167.04611	8.0
167.08247	4.5
167.81572	1.0
171.04071	1.2
174.82625	1.1
177.03352	6.9
179.04607	21.3
181.06186	1.9
185.05629	4.5
197.05673	2.4
210.08815	21.1
242.07935	1.4
247.03667	1.1
248.99391	1.0
254.07793	9.2
272.08932	12.8
288.06610	5.4
306.07669	89.2
528.21313	1.3
624.29620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
122.24480	0.4
159.92412	0.4
223.48917	0.4
255.53786	0.5
270.58679	0.4
317.21246	100.0
349.50293	0.4
541.66907	0.5
551.46509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28152	0.7
54.36993	0.6
56.43136	0.6
58.89909	0.8
59.01383	0.9
61.53496	0.9
70.01944	1.0
70.35735	0.8
70.59763	0.8
78.35172	0.7
79.60777	0.8
113.98782	0.9
120.09706	0.8
165.33919	0.8
225.22266	34.9
231.54980	1.0
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	629.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
64.10796	1.8
64.90060	1.5
68.99828	1.8
71.01354	1.9
74.61276	1.4
78.98594	1.6
79.95725	1.7
80.96505	26.3
94.98083	8.6
101.02428	2.2
116.97324	1.6
125.02428	2.7
125.37155	1.6
133.86777	1.6
136.37379	1.9
137.99561	2.1
139.00336	2.2
148.99168	3.3
150.03209	2.2
151.00340	9.8
152.98650	3.5
153.01907	49.0
164.98651	15.3
165.05579	1.4
171.10214	3.1
172.82423	1.5
177.01854	3.4
177.05560	2.1
192.04303	9.1
193.05183	1.6
193.81406	1.9
206.99646	2.8
207.06595	6.5
214.84872	1.8
225.00740	28.7
299.05002	3.1
314.04260	15.2
329.06628	28.4
405.02338	5.9
420.04825	12.4
435.07184	35.6
451.06812	25.2
466.09213	3.2
467.09802	58.5
468.96664	2.1
629.15204	66.3
629.28522	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	629.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44035	0.8
55.01874	1.0
57.03452	5.7
59.01103	1.9
59.01384	27.0
60.16210	0.9
62.72717	0.8
71.01385	20.0
73.02949	7.6
83.01384	80.9
85.02498	1.3
85.02959	7.0
89.02444	5.0
92.18978	2.2
99.00874	4.2
99.04524	2.6
99.78873	1.1
101.02438	29.0
112.55694	0.9
113.02458	12.2
124.52135	1.1
125.02451	6.4
143.03549	1.2
159.03011	4.2
161.04547	18.3
165.84546	1.0
177.41490	1.0
209.15912	1.1
233.10358	2.0
251.11363	38.2
261.18832	1.6
293.12466	5.6
335.13516	100.0
377.14548	15.3
395.15750	1.1
521.86383	1.4
598.35986	1.1
646.44781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3851
Annotation	Macrophyllic acid
Peak:m/z	Relative Intensity
50.06107	0.4
54.33619	0.4
85.30325	0.5
92.18967	0.7
106.04092	1.9
110.98502	0.8
125.09660	0.6
130.35934	0.6
199.13368	0.9
199.17001	7.5
207.10951	0.5
208.53181	0.5
279.20462	1.0
279.23306	16.4
283.26572	0.7
299.63351	0.6
319.19690	0.6
325.21790	0.8
341.21436	0.8
466.33969	0.5
518.18048	0.6
543.31683	0.7
569.35956	2.2
593.36609	0.9
596.35333	0.8
611.37457	16.2
629.38483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4015
Annotation	Methylene-bismehranine
Peak:m/z	Relative Intensity
59.01373	1.0
82.36192	0.9
117.56707	1.1
133.96133	1.2
160.65976	0.9
178.55539	1.0
183.46904	1.0
184.95441	1.2
281.24835	1.9
297.24866	1.2
337.57999	1.0
395.18982	1.5
571.25879	4.3
595.37921	1.3
603.24341	1.4
613.39386	10.0
631.40137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4006
Annotation	19'-Hydroxyfucoxanthinol
Peak:m/z	Relative Intensity
50.06189	0.1
63.04204	0.2
71.04993	0.2
85.06568	0.2
97.01817	0.2
105.27058	0.2
132.00572	0.2
137.09698	0.3
258.16190	0.3
263.43375	0.2
269.15686	0.3
271.17053	1.2
273.18539	1.3
289.18182	0.3
323.20157	0.8
341.21127	1.0
449.26608	0.3
487.28647	0.3
499.32098	0.3
517.33289	0.3
519.76154	0.2
527.31836	0.4
545.32678	0.4
580.36188	0.4
585.39355	0.4
595.38055	5.9
598.36438	0.8
613.38965	13.5
631.40076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76917	0.2
51.75416	0.3
52.33789	0.2
59.01377	1.6
78.95904	1.4
110.98499	1.3
136.11426	0.3
167.01163	0.3
199.17033	6.9
225.18610	2.2
227.20161	4.0
253.21721	5.0
255.23225	1.7
259.20575	0.4
277.21707	100.0
281.24835	18.0
306.78708	0.3
349.17871	0.4
387.36221	0.3
613.38989	0.4
631.43384	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	632.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38696	1.6
58.42210	1.3
59.01144	1.2
59.01382	16.9
59.09952	1.4
71.01366	10.4
73.02931	3.4
77.15084	1.3
84.05376	1.4
85.02908	2.0
87.00877	1.7
89.02435	8.2
97.02964	2.9
101.02419	13.3
113.02425	3.8
119.03456	2.2
131.03506	2.8
134.02441	2.7
135.15460	1.7
143.03452	2.7
143.91930	1.4
146.02550	1.8
147.00893	2.1
150.01910	7.0
160.04044	10.9
161.04492	8.5
162.01921	23.7
174.01938	44.4
175.00314	18.1
175.99869	23.2
177.00632	10.5
179.05525	1.6
190.01442	3.4
192.03026	2.9
202.01512	6.0
204.02948	2.6
218.00928	67.6
221.06535	3.9
222.03996	2.4
237.64870	1.7
248.71321	1.7
306.87872	1.6
428.18985	2.0
469.15625	22.2
632.18317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69623	49.1
59.42319	51.8
63.19518	52.5
67.42437	59.4
89.02423	75.9
95.48320	64.1
136.36789	69.9
148.44609	59.4
161.09285	63.0
178.43285	64.7
179.05576	61.5
294.29083	61.7
407.17230	64.9
433.63010	63.4
535.45282	66.4
632.41364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83497	0.5
59.01393	0.8
98.10410	0.5
131.03680	0.8
132.04517	0.7
134.06107	1.0
139.53748	0.6
144.04565	0.8
146.04842	3.2
157.07693	100.0
175.08751	5.3
201.06659	8.5
217.00075	0.8
217.94554	0.6
219.07718	79.1
350.79843	0.7
413.15964	0.8
553.03107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46065	0.3
59.01381	100.0
60.11403	0.2
75.68111	0.4
79.36764	0.3
94.82110	0.3
100.13966	0.3
101.01012	0.3
105.71896	0.3
118.69889	0.3
120.56786	0.3
128.03825	0.3
141.01694	84.3
147.82954	0.3
173.03075	0.7
192.84882	0.3
201.02588	0.6
255.23322	3.1
257.05231	0.6
275.06207	3.3
337.22665	1.9
355.59610	0.3
369.21310	1.4
451.67407	0.4
473.31937	0.6
513.29102	2.8
573.31610	4.5
633.41217	2.9
636.69519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49591	0.5
72.14043	0.5
134.26192	0.6
136.61905	0.5
171.43944	0.6
173.54436	0.5
273.18576	0.9
281.24872	3.9
282.24948	0.7
293.21182	0.7
341.71854	0.6
449.26538	1.1
538.13391	0.6
543.90588	0.6
561.66406	0.6
579.38379	0.9
597.39398	1.0
615.40668	11.2
633.41638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11464	1.7
54.62940	1.6
59.01072	3.5
59.01381	100.0
71.01366	3.0
71.62888	1.7
74.92130	1.8
75.17113	1.8
79.56313	1.8
90.77238	1.8
93.31281	1.9
125.36659	2.0
200.61537	2.2
268.63345	2.4
348.41464	2.1
361.75250	2.6
633.43896	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	634.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61896	0.4
54.49751	0.4
57.77004	0.4
59.01366	0.9
71.01358	0.4
71.58167	0.4
74.97016	0.4
78.95877	4.7
84.23165	0.4
89.02425	2.9
92.19107	0.4
113.02393	0.6
119.03487	1.6
152.99567	5.3
168.04301	13.2
171.00644	0.9
179.05521	1.5
209.45216	0.5
242.07974	100.0
277.31412	0.5
292.07220	41.5
317.59781	0.4
341.10931	4.1
377.08533	38.7
477.04141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94809	2.5
59.01389	11.3
61.61090	2.8
71.01360	7.4
74.62864	2.7
89.02432	5.5
101.02438	13.0
105.05573	4.8
121.05030	4.6
134.02467	18.3
145.50749	3.0
146.70845	3.2
148.04018	3.0
160.04013	65.6
161.04501	4.3
162.01947	100.0
162.05620	17.8
188.03534	30.6
204.03130	3.1
206.04599	31.4
211.80305	3.2
402.18695	3.5
459.56500	3.3
471.17395	23.3
634.20178	82.2
634.30194	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	635.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08443	0.3
59.01383	100.0
66.43766	0.3
70.41020	0.3
71.01369	2.7
89.02441	3.5
101.02459	1.3
113.02448	1.4
119.03522	1.7
135.72179	0.3
179.05617	1.5
199.15309	0.3
234.55672	0.3
274.52298	0.3
308.38135	0.4
390.72583	0.4
478.74091	0.4
575.43164	3.3
635.45367	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83118	0.1
60.62535	0.1
62.82831	0.1
74.59849	0.1
84.21430	0.1
110.90862	0.1
117.84906	0.2
120.03999	0.1
149.26096	0.1
160.38483	0.2
210.42184	0.1
255.80302	0.1
261.22220	0.3
279.23288	100.0
340.92264	0.1
374.81702	0.1
487.97562	0.2
550.51300	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	637.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27670	0.1
57.48318	0.1
58.61978	0.1
59.01382	0.2
64.76218	0.1
89.02449	0.1
89.56259	0.1
110.80339	0.1
126.46008	0.1
204.43959	0.1
243.03009	0.8
244.42953	0.1
270.01770	0.1
271.02460	2.4
273.03952	0.1
284.03497	0.1
285.04080	1.3
299.01962	14.1
300.02835	0.2
308.06705	0.1
313.03549	5.5
314.04337	31.8
315.05075	1.6
327.05042	0.2
328.02460	0.4
328.05896	1.0
329.06665	100.0
343.04535	1.2
371.08127	0.2
431.38907	0.1
477.10443	0.6
607.13000	0.5
637.17743	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37780	0.2
59.01384	0.5
62.07930	0.2
69.42332	0.2
80.06564	0.3
101.02416	0.3
116.92809	0.4
139.88283	0.3
144.46466	0.3
209.70906	0.3
217.90468	0.3
243.02919	0.6
270.01697	1.2
271.02472	4.4
282.05386	0.5
285.04028	7.1
297.04010	0.3
299.01968	17.3
299.05246	1.0
300.02795	0.6
313.03546	35.2
314.04337	45.5
315.05118	10.3
327.05145	3.2
328.05890	10.4
329.06671	72.9
343.04724	1.1
369.05957	0.4
371.07599	0.3
399.07196	1.1
458.08118	0.4
462.08105	0.3
473.10931	0.4
477.10413	1.5
503.11987	0.4
607.13171	2.8
637.17780	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	637.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39795	0.5
58.75900	0.5
59.01382	100.0
60.52371	0.5
71.01375	6.3
85.02949	0.5
89.02431	8.9
97.65604	0.6
98.57487	0.5
101.02442	3.0
113.02438	3.6
119.03482	3.4
161.04602	0.9
173.14380	0.6
179.05568	4.7
179.12921	0.6
282.00052	0.6
307.22821	2.3
429.33548	1.1
593.38336	0.6
596.31335	0.7
637.43347	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	638.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85736	0.2
59.01377	3.3
71.01376	2.2
72.27921	0.2
73.02946	0.3
78.03497	1.0
81.96702	0.2
83.01360	0.3
85.02937	1.7
87.00871	0.3
89.02422	1.8
90.72697	0.2
95.01371	0.4
97.02941	0.9
99.00854	0.3
101.02432	2.0
106.02969	4.8
108.02163	3.2
109.02932	8.3
113.02448	1.7
119.03492	0.4
123.00855	0.2
125.02435	2.0
132.04520	0.2
134.02469	16.6
135.58479	0.2
143.03484	1.5
158.02469	0.2
159.03278	0.4
160.04022	11.3
161.04510	1.3
162.01950	100.0
178.05109	0.4
178.56747	0.2
185.84708	0.2
186.01941	2.3
198.03496	0.2
204.03033	2.9
235.06212	0.2
245.06653	0.4
253.07143	1.1
263.07773	0.3
305.08780	0.3
415.12323	4.4
433.13385	1.5
475.14557	15.4
523.49927	0.2
567.32288	0.2
620.16309	5.0
638.17145	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	639.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96339	1.3
73.02902	1.5
86.28732	1.1
93.03444	15.8
101.02442	3.2
109.38342	1.2
113.02438	1.5
116.92862	1.6
136.01707	2.1
137.02448	59.4
143.88167	1.4
171.55641	1.3
280.07434	3.1
281.06555	17.6
282.08847	1.7
283.09708	1.7
294.09030	6.5
295.09698	5.4
296.10440	4.3
297.07910	2.7
297.11298	4.6
309.07663	15.3
309.11288	7.7
310.08487	2.3
312.10077	13.6
313.10785	1.9
324.10031	24.7
327.12393	19.3
339.12341	8.3
404.28644	1.6
405.41742	1.6
621.19055	1.8
639.20917	100.0
639.29065	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	639.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18904	1.3
52.27969	1.4
53.44851	1.2
57.00022	1.5
59.01389	20.1
71.01382	24.0
74.01112	1.5
83.01383	2.7
83.37857	1.5
83.85029	1.6
86.25889	1.7
86.38876	1.4
87.00871	23.5
89.02422	24.1
101.02414	15.7
101.38080	1.6
113.02446	18.6
119.03490	8.1
123.86527	1.6
123.96752	1.5
130.48291	1.5
131.03571	1.7
140.03958	1.8
143.03410	2.0
167.01201	2.3
179.05653	3.5
182.26587	1.9
255.23305	82.9
269.24878	40.7
281.24899	12.8
297.24365	3.8
302.52264	1.8
323.09866	19.2
325.25583	2.3
341.10767	26.3
403.24506	1.8
449.26797	9.2
579.33911	100.0
639.33789	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	639.4123
Annotation	Mosesin 4
Peak:m/z	Relative Intensity
52.69551	1.2
53.97656	1.4
56.14398	1.5
57.60984	1.2
58.85583	1.3
59.01389	20.0
59.69840	1.2
71.01389	8.4
83.05054	1.9
89.02438	9.5
97.97673	1.4
109.06589	1.8
111.08152	22.6
113.02448	1.6
114.38148	1.4
119.03482	2.2
125.09795	1.8
139.07651	2.8
273.63864	1.4
303.26929	1.9
385.34906	5.0
387.36435	37.1
395.33041	3.5
397.34784	9.1
413.34274	12.8
415.35950	40.2
431.35391	37.0
459.34842	100.0
516.09369	1.5
639.41302	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	640.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27356	2.6
69.18074	2.3
69.97058	3.1
74.02470	15.7
74.61902	2.8
81.73682	2.6
86.02485	2.8
92.80849	2.6
99.05625	11.9
102.30767	3.2
103.77878	2.8
123.08976	2.9
128.03517	49.4
138.92670	3.1
143.04611	67.9
146.04590	5.4
153.06673	4.0
160.00725	15.9
167.04625	4.3
177.03362	5.8
179.04669	13.6
184.19409	2.9
185.05739	3.2
210.08884	20.5
236.53767	2.8
254.07756	7.0
272.08826	18.0
306.07654	100.0
640.29181	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	640.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02431	1.0
59.01376	1.1
59.41821	1.1
72.99297	1.8
74.29727	1.1
75.00867	100.0
83.80002	0.9
112.19960	1.0
122.29217	1.1
135.31773	1.3
152.11374	1.3
162.01936	1.2
171.58183	1.2
173.61058	1.6
179.25041	1.1
254.14226	1.1
258.65704	1.2
292.94504	1.1
307.73355	1.1
391.71820	1.2
564.41229	5.3
580.40765	2.1
640.43042	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	641.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
58.01269	2.9
59.01380	17.9
71.01379	16.8
83.18681	3.0
83.26056	3.2
85.02937	8.4
89.02490	3.9
91.13925	3.1
99.04513	4.9
101.02444	16.2
108.02155	5.4
113.02442	15.3
123.04511	8.3
144.28448	4.4
151.00343	6.1
152.01166	8.5
153.01895	5.9
159.04549	4.2
160.05243	26.5
161.04553	6.5
163.04010	3.7
164.04793	4.4
164.91968	3.7
167.03514	87.6
175.07634	30.3
178.06346	21.6
181.05174	5.0
192.07990	4.9
196.15877	3.7
226.88924	4.1
270.05090	4.2
283.06284	5.0
296.05383	15.9
298.08514	4.4
299.09180	7.8
311.07712	83.1
329.13983	17.8
531.03162	4.1
641.08197	4.2
641.21735	100.0
641.32568	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	641.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76709	2.0
58.60791	1.9
59.01384	4.5
61.94374	1.8
71.01369	10.7
76.34848	2.0
79.31477	2.2
79.90716	1.7
85.02955	2.2
87.00863	2.9
89.02408	2.8
89.35149	2.2
93.03443	15.9
99.00922	2.5
99.04507	2.2
101.02446	4.7
108.94477	2.0
113.02420	3.7
125.02419	25.3
137.02441	100.0
151.03981	2.9
151.05281	2.2
160.05313	8.4
161.02438	2.1
162.84836	2.6
175.04059	8.1
175.07663	12.8
178.06389	9.3
179.03589	2.4
192.07957	5.3
199.03966	2.5
217.05115	4.8
281.06671	53.0
285.04016	14.7
285.07297	3.4
315.12335	4.1
329.13980	21.1
331.11786	4.0
343.93173	2.1
402.09958	2.2
426.03983	2.6
611.21344	69.0
641.14880	21.8
641.24396	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94554	0.4
59.01381	6.1
63.50003	0.4
71.01366	1.1
73.02941	1.0
83.01374	0.7
87.00871	0.9
89.02396	0.8
101.02438	1.9
113.02403	1.9
116.92902	0.5
125.02415	2.1
132.02127	3.6
134.03737	9.5
137.02469	0.7
149.06042	2.0
160.01642	64.7
161.04677	0.5
175.03992	100.0
178.02686	0.8
183.20259	0.5
193.05043	8.8
247.06052	0.5
260.49069	0.5
324.90970	0.5
337.09250	2.3
339.66873	0.5
341.10858	1.1
412.49884	0.6
559.16614	0.7
583.16656	2.9
601.17908	6.5
623.98291	0.6
643.18787	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	643.3647
Annotation	Accedinisine
Peak:m/z	Relative Intensity
61.41838	1.4
71.38760	1.7
72.47800	1.3
80.15752	1.7
97.77853	1.5
153.09238	2.1
278.03488	1.6
299.06976	1.6
355.18945	2.5
391.34821	1.9
407.21576	2.0
615.32666	3.5
621.30743	1.8
625.35205	8.4
643.36469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.6
71.01382	2.1
73.02953	1.3
75.44178	1.0
78.03486	1.2
78.95904	15.9
79.80637	1.2
79.95744	1.8
87.00869	1.9
89.02453	1.7
96.96000	100.0
96.96959	39.5
101.02440	4.6
106.03002	1.8
113.02432	2.3
129.95641	1.1
134.01605	1.2
134.02440	9.5
146.35350	1.1
147.00381	1.1
150.05585	1.1
152.07893	1.0
160.04044	6.8
162.01950	90.7
193.91650	1.3
204.03065	2.7
222.04120	5.6
222.08469	1.2
341.10849	5.2
383.12003	13.0
521.04333	1.5
528.13721	2.8
546.14612	44.5
546.22394	2.3
644.12036	10.5
662.96106	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	645.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
65.90370	0.2
66.38281	0.2
71.50775	0.2
73.02938	0.7
77.08492	0.2
113.06093	0.3
135.08217	0.2
153.09204	2.2
163.07626	0.2
178.32661	0.2
206.97665	0.2
241.01268	0.2
241.12523	0.2
243.13754	0.2
251.52391	0.2
257.15305	0.2
259.17047	0.4
269.15399	0.3
270.16333	0.2
275.16483	0.6
277.18094	0.9
285.18576	1.2
287.16434	0.2
296.14240	0.2
301.13861	0.2
303.19702	2.7
305.17545	0.4
311.16495	0.4
313.18124	0.4
315.19766	0.2
324.17349	0.3
325.14615	0.3
325.18149	0.2
327.19580	0.7
329.17670	2.4
339.19617	0.8
340.16827	1.5
341.17514	1.0
342.18387	0.8
346.20425	0.2
355.19226	2.6
357.20731	3.1
364.20239	0.2
365.21249	0.3
367.19244	0.2
383.22357	0.3
393.24567	0.6
395.14474	0.2
395.22287	3.0
409.23975	0.3
431.22189	0.3
461.26987	0.2
571.34558	0.3
572.35223	0.2
587.33453	0.3
597.32892	0.2
599.37128	0.9
601.38788	0.7
612.34497	1.7
615.33417	0.8
617.34680	4.0
627.36957	5.7
630.35504	1.3
645.38037	100.0
673.42145	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	646.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	36.1
60.63780	0.9
71.01382	21.3
73.02949	15.2
83.01379	1.5
85.02950	1.9
87.00868	4.0
89.02448	18.0
95.01363	1.3
97.02934	9.6
99.00858	1.6
99.04510	2.4
101.02440	23.5
101.94380	0.9
106.03000	2.3
113.02475	12.7
119.03484	6.7
125.02451	4.4
131.03523	7.5
134.02475	11.6
143.03522	12.5
150.05597	6.6
152.77702	1.0
159.03036	1.4
160.04044	19.7
161.04543	21.6
162.01971	69.7
179.05595	4.4
190.05186	1.1
202.05067	2.2
203.05611	4.0
204.03004	8.7
221.06654	14.4
222.04094	13.5
246.04176	1.8
266.07358	1.2
305.08841	1.4
323.09647	1.5
366.08182	5.8
483.17279	42.2
486.12057	1.4
628.19482	2.6
646.19971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45827	0.5
57.03457	0.4
59.01384	30.0
62.74451	0.4
66.37741	0.5
71.01381	17.6
73.02951	0.8
77.48522	0.5
83.01384	0.6
85.02954	1.9
86.42409	0.6
87.00861	0.5
88.24487	0.4
88.59582	0.5
89.02441	31.6
90.09396	0.6
90.63708	0.4
95.01381	0.6
97.02952	0.9
101.02444	21.8
105.01571	0.5
108.20742	0.5
113.02449	10.5
119.03502	15.9
125.15295	0.5
131.03456	0.6
134.02419	0.7
143.03520	0.6
145.69797	0.5
152.23967	0.6
160.04057	0.6
161.04538	3.0
162.01988	3.5
162.96507	0.5
163.02370	1.1
165.05629	0.8
173.13403	0.5
175.04048	0.6
175.77788	0.5
179.05635	0.8
185.97530	0.5
221.06618	0.7
323.13507	100.0
483.17218	0.7
484.17422	2.0
587.20978	0.7
647.20129	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	647.3951
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
54.46669	0.6
59.01374	1.2
70.91949	0.7
71.05020	1.4
73.02880	0.8
80.25894	0.7
95.03361	0.7
97.13523	0.7
113.06085	1.4
149.08069	0.7
165.20676	0.9
207.84085	0.8
243.13850	7.0
257.15494	0.8
284.67941	0.8
287.16565	0.8
303.19617	0.9
305.21118	1.1
313.18115	3.4
331.19275	6.4
331.73618	0.9
339.19785	1.3
357.20654	9.9
421.23941	4.6
454.11322	1.0
509.86813	0.9
533.32703	9.9
601.35535	1.2
603.36823	1.5
611.36963	1.3
614.36475	1.1
619.36377	4.2
629.38477	8.9
647.39569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3954
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
59.01369	1.9
64.74708	1.4
70.87324	1.5
83.44515	1.3
90.32532	1.5
90.75570	1.3
113.63151	1.4
120.25541	1.5
183.25577	1.5
285.00296	1.4
303.19470	1.5
355.19299	1.9
357.20743	8.4
617.34448	1.9
619.36523	2.0
629.37958	7.2
647.39575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3959
Annotation	Uncarinic acid C
Peak:m/z	Relative Intensity
51.28302	0.4
59.01368	0.4
89.97448	0.6
99.28173	0.7
110.18113	0.5
167.33804	0.5
206.87479	0.5
224.78978	0.6
271.27966	0.6
455.94064	0.6
515.52576	0.6
532.36639	0.7
545.54291	0.7
611.37866	0.9
629.38562	3.4
647.39606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98594	2.5
59.01383	4.8
67.92603	2.4
71.01361	2.5
83.05033	4.6
89.46442	2.6
111.08144	94.9
129.47009	2.9
134.60245	3.2
173.08167	34.5
230.24886	2.7
235.14743	3.3
244.99376	2.8
255.23300	61.3
277.21799	3.6
322.39594	3.0
356.92459	2.7
380.46500	3.7
383.73178	3.4
403.05176	2.6
442.21658	2.6
534.93823	3.1
647.39893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51097	0.5
57.23438	0.5
59.01385	100.0
63.21096	0.4
64.66046	0.5
65.64966	0.5
71.01383	16.6
85.02945	3.1
89.02444	23.1
101.02454	9.9
113.02448	7.4
119.03497	11.4
131.03462	0.6
143.03500	3.5
149.04527	0.9
152.32164	0.7
153.55254	0.6
161.04546	3.3
168.80768	0.6
179.05611	18.1
193.60152	0.6
239.07663	0.8
243.83568	0.6
391.33047	0.7
472.80490	0.6
647.41486	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	648.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80005	0.8
55.14341	0.8
59.01373	1.5
71.01383	1.0
71.50747	0.9
73.51686	0.9
93.03449	7.1
106.03008	5.2
125.02448	2.1
130.13669	1.0
133.43694	1.0
134.02487	17.7
137.02443	30.7
143.04639	1.0
147.70706	0.9
149.73610	0.9
159.03210	1.0
160.04060	11.5
162.01973	100.0
175.04053	0.9
186.01912	1.7
204.03084	1.1
263.05621	3.6
425.10947	6.8
443.12094	1.2
485.12894	10.9
568.25470	1.0
630.14722	2.0
648.15601	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	649.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66767	2.0
59.01383	24.7
72.37544	2.1
74.17157	2.4
94.25970	2.5
106.16836	2.2
113.06042	18.4
116.92852	2.2
131.07120	88.3
142.46738	2.3
173.08192	49.5
262.89526	2.9
283.06189	27.6
298.85495	2.4
299.42764	2.4
311.05634	100.0
323.05426	3.5
341.06699	11.2
431.04785	3.2
431.09805	92.8
649.18219	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	649.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38680	0.7
51.77143	0.7
59.01381	12.9
70.90152	1.0
71.01385	9.8
85.02958	2.5
89.02445	10.3
89.32841	0.9
89.43041	1.1
92.18340	0.9
101.02438	7.0
109.02960	2.1
110.99789	0.9
113.02447	18.8
117.03474	1.6
119.03482	4.5
119.05009	14.1
142.00487	1.0
143.03522	1.8
145.01796	2.2
145.02956	56.4
152.01114	7.2
153.01906	6.4
161.04543	1.7
162.02036	1.9
163.04007	39.0
171.23273	0.9
173.00754	1.1
179.05669	1.3
181.86967	1.0
205.04991	1.6
209.32521	1.3
229.05003	1.1
235.06010	4.3
265.07184	1.5
307.08347	2.3
315.07336	4.9
351.12848	3.7
414.02914	1.0
416.10168	1.4
487.15195	1.1
490.33911	1.1
503.15912	2.1
649.19891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93201	5.2
58.68417	6.0
59.01402	9.1
71.51438	6.0
81.56908	6.1
82.88631	5.6
93.03452	16.0
99.80166	8.5
116.92847	34.6
119.05008	39.4
123.04495	7.5
143.04994	14.7
145.02950	49.4
163.04016	54.2
187.04021	11.7
199.04018	27.3
263.07141	14.1
264.07916	50.2
323.09134	46.9
503.17404	9.0
649.21112	100.0
649.36963	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37447	0.8
54.83263	0.9
58.00571	1.0
59.01384	100.0
71.01382	6.6
71.14275	1.0
89.02431	8.8
99.93323	1.0
101.02448	2.1
102.82693	0.9
106.39088	1.0
113.02435	1.6
119.03474	1.9
131.05273	1.2
179.05594	6.4
279.23282	21.1
351.98425	1.2
404.83228	1.1
439.45831	1.4
508.00403	1.2
587.33960	1.2
649.43756	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	649.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97164	0.6
57.68406	0.6
59.01375	100.0
61.98833	2.3
71.01373	14.1
72.99298	0.7
73.33191	0.6
78.27156	0.6
81.24855	0.7
85.02945	1.4
89.02431	24.1
89.96014	0.6
92.18353	0.8
101.02431	8.2
108.23289	0.6
113.02435	7.4
119.03492	8.8
131.03517	0.8
143.03462	3.9
161.04530	2.7
179.05583	19.6
214.04507	0.6
333.20633	1.0
381.05322	0.7
649.43127	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	651.1569
Annotation	Tricin 7-rhamnosyl-(1->2)-galacturonide
Peak:m/z	Relative Intensity
51.35431	0.5
55.40552	0.6
57.17305	0.5
58.42001	0.5
59.01377	1.2
60.00599	0.5
67.62492	0.6
69.38781	0.6
71.01379	12.3
72.99285	1.1
73.02930	0.7
74.05173	0.5
83.01376	1.4
85.00392	0.6
85.02930	3.2
88.83823	0.6
95.01376	0.9
101.02444	0.8
101.95067	0.7
106.36273	0.6
113.02436	6.3
115.00357	2.7
122.02483	0.7
125.79196	0.6
139.25366	0.6
162.01930	0.8
168.56982	0.6
225.50537	0.6
285.04071	0.7
299.01935	21.8
313.03494	2.5
314.04330	58.9
321.08151	3.5
329.06656	100.0
329.64566	0.8
344.63977	0.7
566.41071	0.8
651.15680	62.8
670.12024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12565	0.7
59.01378	3.5
71.01382	0.7
73.02937	1.8
74.27113	0.8
97.02973	1.4
101.02439	6.1
106.02945	1.0
122.02473	16.6
130.90598	0.8
134.02484	9.6
136.04057	1.4
143.03473	1.1
150.05589	16.6
160.04019	21.8
160.05211	1.4
162.01959	100.0
178.05086	1.6
222.04060	46.4
264.05188	7.4
288.37561	1.0
324.07352	1.4
366.08334	9.9
398.98340	1.0
489.11041	1.2
573.13684	1.6
591.14410	1.6
614.65936	1.0
651.17236	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	651.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42455	0.8
56.70426	0.9
57.03445	1.8
59.01371	17.2
63.12476	0.8
69.01074	0.9
71.01373	15.9
73.02930	7.1
75.00885	1.1
83.01372	6.8
83.25228	0.9
85.02954	5.2
87.00854	18.2
89.02425	22.8
93.03453	1.9
97.02905	1.7
99.04486	1.2
101.02433	18.9
103.75703	1.1
113.02418	19.1
119.03491	9.0
121.06545	2.3
122.02448	5.7
123.07946	0.9
123.26898	1.0
125.02367	1.0
131.70848	1.1
134.02461	1.6
136.03940	1.1
137.02431	4.2
141.01868	1.1
143.03465	4.5
149.04501	1.5
150.05600	1.6
152.01132	4.6
160.04022	1.9
161.01196	1.2
161.04517	4.2
162.01944	21.3
165.05544	100.0
167.79486	1.0
179.05580	6.8
179.07129	15.3
186.55331	1.0
189.05556	6.3
192.15494	1.1
202.20389	1.0
207.06609	43.8
207.08533	2.0
209.04068	1.0
219.06633	4.3
222.04088	6.1
230.07939	1.1
236.70981	1.3
260.05240	1.1
267.08630	1.7
278.57236	1.1
281.62222	1.1
323.09613	1.4
327.10898	1.4
332.43503	1.2
341.10797	10.3
351.12933	4.3
358.68231	1.2
359.15875	1.4
470.66284	1.0
475.50763	1.2
489.16119	92.9
490.45755	1.1
651.22009	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.70501	0.3
60.37300	0.3
61.98814	0.5
63.09082	0.3
67.48492	0.3
71.01376	5.5
83.59560	0.4
85.02969	0.6
89.02441	8.7
89.02940	0.6
95.01389	0.4
101.02438	3.9
113.02439	3.0
119.03509	3.7
140.58716	0.4
161.04526	0.7
165.32906	0.3
179.05611	5.6
213.69865	0.4
270.87201	0.4
464.24237	0.4
470.37491	0.4
514.49298	0.4
651.44788	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	652.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25040	1.5
56.68026	1.6
59.01361	2.0
64.68709	1.5
71.01371	2.5
73.70412	1.7
89.02406	1.7
89.69794	1.5
99.00819	1.7
101.02441	2.0
108.02199	17.9
109.02947	20.7
109.89733	1.8
113.02449	2.5
122.02496	1.9
134.02483	7.3
138.15129	1.6
146.08194	1.7
151.03963	2.5
152.01155	90.6
153.01874	6.4
160.04007	6.6
161.04482	2.9
162.00703	2.4
162.01970	50.4
351.77475	1.9
387.85062	1.9
447.11411	6.5
489.12314	14.0
634.15295	2.5
652.04218	3.5
652.15070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13995	7.9
53.95432	8.4
59.01366	10.7
59.40628	8.0
63.38860	9.0
67.24908	8.2
68.34499	9.8
92.21515	8.7
106.82657	8.5
149.38452	9.5
163.03931	9.5
179.92465	10.1
194.30591	9.6
207.12900	9.0
261.44705	12.3
277.28824	8.3
299.02029	34.1
314.04251	100.0
323.09259	11.9
329.06580	69.3
653.16638	20.1
653.37207	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	653.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46817	1.0
50.90413	1.1
59.01081	2.4
59.01383	65.7
70.42014	1.1
71.01385	3.0
93.03444	8.1
101.02428	7.1
113.02427	1.8
116.92853	3.1
123.04521	2.2
136.01680	2.5
137.02437	51.1
151.00400	1.6
151.04001	5.5
152.01131	7.2
153.01875	4.8
166.02689	2.7
167.03503	48.8
179.03496	33.7
181.05072	2.7
194.02223	6.6
209.04558	53.1
218.77260	1.3
238.64937	1.3
239.05580	7.1
269.06668	2.0
281.06631	18.4
296.05286	1.8
297.06052	2.1
311.07764	10.5
329.06769	1.5
449.10858	14.1
476.16376	1.6
491.00790	1.5
491.11887	20.3
533.13000	5.7
542.09692	1.6
593.15167	100.0
653.16766	18.7
653.25934	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	653.1728
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
51.84710	0.2
57.27016	0.2
57.48143	0.2
59.01394	0.3
71.01381	0.3
101.02413	0.2
113.02454	0.3
133.82552	0.2
151.00400	1.7
163.00346	0.2
241.01555	0.3
242.02245	1.8
243.03082	0.5
249.07820	0.2
257.04590	0.2
258.01813	0.5
259.02411	0.4
269.00958	0.8
270.01697	1.7
271.02484	2.0
273.01166	0.3
273.04062	7.6
274.04828	1.1
285.04016	1.7
286.01242	1.7
286.04227	0.2
287.02020	2.4
287.05533	0.9
289.07239	0.8
299.02182	0.3
300.02670	0.3
301.03525	7.4
302.04166	1.8
314.00735	0.3
315.01498	18.3
315.04846	1.0
316.05893	2.6
317.06805	1.8
329.03043	56.6
330.03821	37.0
343.04633	1.3
344.05353	33.8
345.06165	61.2
542.38623	0.2
653.17230	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	653.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	13.5
71.01380	15.2
73.02937	1.8
85.02930	2.3
87.00860	2.9
89.02438	9.6
89.63884	1.6
92.18750	2.1
101.02431	3.4
108.02144	3.0
113.02437	17.1
123.04510	17.5
125.02424	2.5
128.10152	1.7
129.01889	1.9
152.01106	8.6
160.04045	2.9
162.01938	15.0
167.03481	100.0
209.04538	9.3
222.04065	2.5
239.05641	3.5
259.26230	1.7
311.07425	1.9
525.37793	1.9
653.19379	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	653.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55888	2.7
51.03078	2.4
51.66700	2.3
59.01377	26.4
61.18856	2.9
71.01369	32.5
73.02936	20.8
78.59757	2.9
83.01376	4.2
85.02939	17.1
89.02415	22.1
101.02418	51.6
108.02187	4.7
113.02437	25.9
118.59204	3.5
119.03485	4.2
123.04581	3.7
125.02406	17.4
131.03496	14.4
139.65973	3.0
143.03535	4.4
145.05031	4.3
161.04526	45.2
162.01968	6.4
163.93578	2.7
175.18082	2.8
179.05618	6.5
189.41017	3.2
218.55429	3.2
221.06693	16.2
247.08253	4.1
254.53787	3.0
414.39896	4.8
469.15533	45.5
593.20880	100.0
653.17371	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91524	0.8
59.01119	1.7
59.01391	30.3
59.65102	1.0
71.01389	21.0
73.02940	5.5
75.50451	1.0
78.95931	9.6
81.72782	1.0
85.02956	3.9
87.00896	2.3
89.02448	23.2
95.01379	1.4
97.02950	5.4
99.00905	2.1
101.02442	21.8
105.01949	1.6
113.02472	11.1
119.03510	6.5
125.02431	9.1
143.03464	3.8
161.04619	2.2
167.01164	1.7
235.08339	8.0
235.10580	1.0
255.23344	100.0
279.23285	15.6
280.23752	1.0
287.07614	1.5
288.27682	1.3
305.08865	4.2
397.13580	92.0
415.14597	30.0
447.25565	9.5
463.95929	1.1
653.28589	2.4
653.38574	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	654.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
60.99306	9.9
83.38760	0.4
87.00880	0.6
88.00389	2.0
88.98788	100.0
89.02428	44.0
111.61678	0.4
180.47612	0.5
200.05792	0.5
266.63315	0.5
271.11566	0.6
339.28021	0.5
352.46964	0.5
548.47668	0.6
564.41290	2.6
587.42249	0.5
654.16809	1.8
654.44318	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	655.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.7
70.74311	2.6
71.01385	4.4
96.50997	2.9
101.02487	3.7
104.32959	2.9
117.03420	4.7
119.05000	29.1
123.00924	23.1
124.01633	22.1
125.02492	4.3
137.02440	4.2
138.03241	14.9
139.04030	19.3
145.02950	82.4
163.04008	38.8
174.03198	4.4
193.04974	3.7
202.70404	2.8
215.10336	3.9
217.05095	7.4
222.20143	3.1
265.04959	3.3
267.06729	4.7
279.10196	3.6
292.07449	4.6
293.04709	4.0
293.08173	4.0
294.08923	24.7
305.04492	5.1
308.06885	23.7
320.06882	17.1
322.08032	4.1
323.05667	5.4
323.09213	45.0
335.09338	3.6
338.08014	12.3
341.10239	4.5
353.10291	32.9
497.14786	12.4
595.16132	5.6
613.17871	23.8
625.19342	55.8
637.19336	100.0
643.99762	3.3
655.19775	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10667	0.6
56.77213	0.7
59.01385	1.1
80.41974	0.9
88.14748	0.8
264.12045	0.9
301.21698	100.0
652.10010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91242	0.6
90.01498	0.7
93.03445	32.0
93.04002	1.4
137.02441	100.0
177.05505	0.8
202.00546	0.8
472.89157	0.9
657.21667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.7
74.46166	1.0
89.47322	1.2
89.51304	1.2
137.02446	1.4
153.01906	1.2
165.67981	1.3
166.02727	21.3
167.03502	2.9
175.04076	1.5
178.06372	1.7
181.05086	66.2
190.06436	6.5
190.26280	1.6
193.05112	1.7
205.08691	2.4
208.07448	7.8
223.09764	9.1
312.06448	2.7
319.81180	1.5
327.08774	22.5
342.11102	70.3
357.13483	100.0
375.14407	11.1
405.10205	2.5
405.15610	57.8
417.15802	5.1
435.16599	37.5
463.69159	1.4
521.46161	1.4
567.21057	19.6
597.22107	1.7
657.24683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32383	0.6
59.01381	100.0
62.05985	0.8
78.95908	0.8
92.66847	0.7
99.00836	0.6
110.98517	1.2
125.09715	0.8
132.58624	0.8
139.57115	0.7
141.01697	84.4
167.01106	1.0
219.27025	0.8
227.20155	12.1
253.21837	2.7
255.23299	1.2
281.24881	27.0
341.38327	0.9
363.24841	1.0
455.84842	0.8
564.37585	0.8
611.97101	0.7
659.46661	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	661.3742
Annotation	Yungensin E
Peak:m/z	Relative Intensity
54.49302	1.6
59.01380	1.8
61.98809	2.3
67.63241	1.6
68.82048	1.5
78.28138	1.6
95.73302	1.7
225.38260	2.3
243.25912	1.9
259.21603	2.3
268.86765	1.8
301.17935	2.7
355.19385	2.7
387.75491	1.9
395.22150	3.7
525.51416	1.9
643.36139	28.2
658.75104	2.3
661.26447	4.0
661.37439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69019	0.5
57.03456	1.3
58.29671	0.6
59.01371	3.0
62.92685	0.5
68.86346	0.6
71.01363	1.5
73.02926	0.8
76.09676	0.6
85.02905	0.8
89.02426	1.2
97.06573	8.9
97.28700	0.7
101.02422	3.7
104.86602	0.6
113.02404	0.8
123.08134	3.6
125.09705	77.2
141.31793	0.7
145.05107	1.4
161.04518	2.8
164.12944	0.7
169.08702	1.2
187.09746	35.2
235.08253	1.3
242.83194	0.6
253.09218	2.5
255.23288	64.9
301.21756	9.8
356.85495	0.6
386.34915	0.7
403.25308	0.7
423.18845	0.8
656.22260	0.7
661.41724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16775	0.9
51.27404	1.0
59.01365	1.3
62.80120	1.0
93.03427	27.5
96.95972	12.6
123.59103	1.2
137.02425	100.0
145.04048	1.1
146.08185	2.7
212.17784	1.2
362.14478	2.0
564.14539	2.6
601.00952	1.2
662.23041	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	663.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19332	1.5
53.22938	1.6
59.01380	32.4
71.01385	20.6
73.02943	3.5
78.95905	3.2
83.01388	4.2
85.02940	2.6
87.00864	26.2
89.02446	26.7
99.75102	2.0
101.02437	16.8
101.34387	2.3
106.20537	2.0
113.02438	22.1
119.03478	10.8
147.88110	2.3
152.99612	3.2
255.23357	8.7
256.23694	3.8
279.23282	100.0
293.24951	26.7
321.24246	3.5
323.09836	22.2
341.10880	39.7
423.24930	2.9
603.33942	90.3
663.38556	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	663.3894
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
58.40021	1.6
78.95877	19.3
94.53192	1.9
112.45517	1.9
122.87377	2.0
136.19211	2.0
146.18721	1.8
152.99536	8.8
171.00583	3.7
250.15527	2.0
301.18185	2.6
303.19614	2.3
357.20871	2.4
616.00897	2.0
635.35626	2.2
645.37610	7.9
663.27972	9.2
663.38818	100.0
688.33459	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	665.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
61.98816	1.2
81.64697	0.7
89.02411	0.9
101.02430	1.3
108.99367	0.8
110.75843	0.9
133.02945	8.9
135.04520	15.1
138.42975	0.9
148.93353	0.9
161.02429	100.0
169.16521	0.9
175.04114	1.3
177.05525	1.7
179.03491	39.6
195.06580	1.3
203.03419	1.0
233.04515	1.7
251.05524	3.9
285.31937	1.0
323.07651	1.4
338.00372	1.0
345.39978	1.1
503.14276	7.2
589.10767	1.1
604.17542	1.0
634.78473	1.0
665.17206	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	665.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02821	0.8
59.01377	4.7
70.55904	0.8
71.01377	2.1
71.47675	0.8
83.01403	1.1
89.02414	1.9
92.05040	9.5
96.58633	0.9
101.02438	2.0
106.02972	4.6
113.02428	1.2
116.92780	2.8
125.02458	1.1
133.01462	1.5
134.02467	11.5
136.04034	19.7
160.04048	11.2
161.01163	5.8
162.01950	100.0
193.05118	0.9
204.03003	6.5
222.04105	4.5
281.05905	1.1
335.13565	1.0
363.87241	1.0
403.98163	1.0
459.11566	0.9
502.16284	1.3
510.12564	1.5
528.13544	31.9
665.18036	1.4
665.24646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
63.34794	1.0
71.01369	1.9
81.60680	1.3
89.02429	5.2
89.56512	1.2
101.02457	1.4
106.33810	1.2
107.55805	1.2
113.02396	1.6
130.66135	1.2
135.04520	13.4
137.02377	1.7
150.86571	1.1
161.02422	100.0
162.01904	2.0
177.05531	5.1
179.03474	54.1
203.03459	1.7
214.00163	1.5
221.04535	15.0
251.05582	12.3
281.06641	26.5
323.07602	14.8
341.08554	2.0
472.61649	1.3
503.14066	65.4
665.19385	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
64.80537	0.4
66.51661	0.4
67.74859	0.4
68.30675	0.5
69.83272	0.5
70.16721	0.4
71.01374	6.8
71.05008	2.7
71.32979	0.4
76.83595	0.5
88.04028	70.1
89.02423	0.6
89.83894	0.4
99.04485	0.9
101.02441	0.6
101.11297	0.5
116.07143	0.5
122.02471	2.5
133.48767	0.5
146.08221	38.5
161.02435	8.0
179.03506	1.2
218.10323	100.0
322.08817	0.5
443.19043	0.7
473.38541	0.5
503.14291	3.6
665.19940	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	665.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50489	0.6
59.01383	21.9
61.94545	0.6
69.03430	1.1
70.00228	0.7
71.01382	22.5
72.99303	0.8
73.02937	2.9
74.25363	0.7
76.33346	0.9
77.00952	0.8
78.20943	0.6
82.79172	0.7
83.01362	5.7
85.02944	4.6
87.00862	28.2
89.02427	23.6
92.43162	0.7
95.01402	1.1
97.02938	0.9
99.00864	0.9
101.02431	17.1
102.22466	0.7
113.02440	24.2
119.03465	6.5
120.09347	0.7
125.02452	1.0
131.03462	0.9
139.20694	0.7
141.01944	0.9
141.38846	0.7
143.02496	0.7
143.03543	3.7
148.93413	0.7
151.51799	0.9
161.04567	4.7
179.05600	5.0
281.24857	80.8
295.26395	41.3
305.24799	1.7
315.19504	1.0
323.09860	17.4
323.26007	5.9
341.10852	29.3
426.09317	0.9
459.39594	0.8
605.35461	100.0
665.40826	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	666.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66205	0.1
56.64769	0.2
59.01381	1.6
65.03963	0.2
71.01390	0.8
73.02929	0.2
74.30313	0.2
79.53023	0.2
85.02908	0.3
89.02442	0.8
93.03449	27.8
97.02953	0.3
101.02425	0.9
106.03014	0.8
108.72994	0.2
113.02428	0.4
116.92874	2.0
117.92860	0.5
125.02430	0.3
134.02490	3.3
137.02440	100.0
149.76959	0.2
160.03995	1.9
161.01190	1.0
161.04570	0.2
162.01955	26.8
204.03047	2.0
222.04028	0.3
262.92831	0.2
295.18399	0.2
345.23575	0.2
365.10861	0.9
408.09305	0.8
491.88187	0.2
503.13013	2.5
510.12128	0.3
528.13617	14.3
666.16772	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	666.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
59.27863	0.2
65.03951	0.2
68.80719	0.2
71.01379	1.7
81.41740	0.2
83.01412	0.3
85.02932	0.2
87.34850	0.2
89.02425	2.6
90.02732	0.2
93.03442	28.2
95.71056	0.2
101.02419	1.6
112.12330	0.2
113.02419	0.8
119.03470	1.4
120.03999	0.3
133.01675	0.3
134.02493	1.7
137.02434	100.0
152.01128	0.9
153.01961	0.3
160.04001	1.6
161.01169	7.2
162.01961	6.2
197.63280	0.2
206.04486	0.2
206.15459	0.2
323.13458	4.0
324.07315	7.6
324.13675	4.4
327.18295	0.2
341.08786	2.5
444.93692	0.2
503.13980	2.2
528.13293	1.5
563.96088	0.2
666.16785	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	667.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66680	1.7
63.78039	1.5
96.93757	1.6
101.02408	2.5
123.04547	3.2
152.01195	2.5
153.01999	3.4
167.03471	18.6
175.04010	7.9
189.14868	1.7
190.06287	2.0
219.06654	2.0
222.05173	1.9
289.73270	2.1
294.05829	2.1
294.09073	2.6
295.06110	9.4
306.09006	3.9
307.06140	10.6
307.09448	1.7
309.07629	24.7
310.08505	25.5
311.09427	4.0
314.04245	2.9
322.08441	20.2
323.08871	1.9
324.10117	9.2
325.10968	17.5
329.06680	3.4
336.95117	1.9
337.10760	11.4
483.01740	1.8
637.19617	2.2
667.20483	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	667.2187
Annotation	Dadahol B
Peak:m/z	Relative Intensity
52.24887	0.2
54.26147	0.2
61.19395	0.2
65.08433	0.2
65.89204	0.2
93.03434	0.5
117.03455	6.0
118.04233	2.6
119.05005	100.0
121.02952	4.2
123.04499	1.5
133.02946	0.4
140.81230	0.2
145.02934	34.2
150.03255	0.3
151.03958	0.5
161.06041	0.4
162.03215	3.6
163.03995	83.3
165.05585	0.4
174.15065	0.2
177.05574	0.9
179.07091	0.5
323.08780	0.3
341.10150	0.9
348.22375	0.2
407.09338	0.2
521.18262	4.0
533.56836	0.3
667.21857	67.7
669.69525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2188
Annotation	Dadahol B
Peak:m/z	Relative Intensity
53.12301	0.8
58.46152	0.8
73.10153	0.8
78.41515	1.0
108.02180	0.9
108.78924	1.0
117.03451	6.5
119.05009	74.7
121.02954	1.2
127.41797	0.9
136.01630	5.6
145.02939	44.5
151.03983	5.3
163.03993	87.6
171.31772	0.8
177.05537	1.1
177.65529	0.9
188.04662	1.4
216.65779	0.8
454.39304	1.1
478.56805	0.9
667.21863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.219
Annotation	Dadahol B
Peak:m/z	Relative Intensity
59.01363	1.6
117.03427	6.1
119.05012	97.6
123.04497	1.3
145.02948	58.8
163.03995	93.4
294.09100	1.8
331.18875	2.4
338.07819	4.8
353.10101	1.8
455.15018	1.5
456.92007	1.4
468.64636	1.2
473.15591	1.8
485.16162	11.0
531.14197	1.4
535.93420	1.4
649.20898	5.6
667.21930	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	667.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94754	1.0
51.47380	0.9
56.78986	0.9
59.01382	2.5
61.98814	1.2
85.63881	1.2
108.23041	1.2
127.70236	1.1
167.67665	1.2
171.10251	26.9
183.10245	1.8
195.38202	1.1
269.86536	1.1
277.21701	34.3
295.22775	100.0
407.86020	1.3
413.04053	1.2
464.78122	1.4
551.97253	1.6
667.40985	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	668.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57408	0.5
59.01381	4.9
63.37102	0.5
67.88840	0.7
71.01366	3.2
85.02938	1.3
89.02432	3.1
101.02413	3.3
104.33223	0.6
106.02979	5.3
108.45763	0.7
109.46789	0.7
113.02411	2.7
123.00913	0.9
124.01628	1.4
125.02402	2.5
128.98222	0.6
134.02458	18.1
137.02463	0.7
138.03203	3.1
139.04028	7.4
143.03517	0.8
152.01088	2.6
160.04002	10.1
161.04558	1.1
162.01941	100.0
168.00616	2.6
174.76428	0.6
185.36285	0.7
186.01855	0.9
204.02995	2.8
224.08319	0.6
232.97917	0.6
242.87836	0.6
280.86563	0.7
283.08072	0.8
326.28900	0.6
331.69479	0.7
369.49969	0.7
445.13531	6.6
463.14725	1.3
505.15576	17.8
650.17377	3.5
668.18079	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	668.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03900	0.6
50.06561	0.6
59.01372	10.5
65.07291	0.6
70.73536	0.7
71.01363	6.9
73.02938	0.8
78.41541	0.6
85.02933	1.6
87.00864	0.7
89.02410	9.8
94.81541	0.8
101.02417	5.2
113.02417	5.6
119.03473	1.5
122.02456	100.0
125.02400	3.1
129.01906	3.8
134.02515	0.9
136.04077	1.0
161.04485	0.9
162.01988	6.2
190.05103	1.2
218.04605	1.6
485.15076	4.1
505.16232	0.8
505.98068	0.7
608.18317	87.0
668.14056	1.4
672.68073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1652
Annotation	Spinacetin 3-gentiobioside
Peak:m/z	Relative Intensity
50.55260	1.1
52.86730	1.0
59.01365	2.6
68.22044	1.0
79.21507	1.6
100.55419	1.3
112.79427	1.4
116.92834	7.7
126.91708	1.3
131.15654	1.2
137.02438	1.6
142.84276	1.1
162.01939	1.3
205.04987	1.6
223.06020	2.1
269.04453	2.7
271.02463	1.9
273.04016	9.5
287.01764	1.8
301.03571	9.2
304.49789	1.6
315.01385	16.4
315.04938	2.7
316.05814	1.8
329.03067	34.1
330.03793	33.1
338.04337	2.5
344.05392	24.6
345.06113	53.7
445.05713	6.2
446.06580	3.0
447.07239	4.6
460.07913	11.9
461.08774	2.7
475.10135	1.6
477.08157	1.5
491.09763	11.0
501.10471	8.3
511.97058	1.4
608.11389	2.4
623.13953	8.3
669.17334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50665	2.1
57.45507	2.2
67.19283	1.9
69.85574	2.0
71.01366	4.0
78.14982	2.0
81.48212	2.3
86.65804	2.3
92.81761	2.6
101.02441	4.7
108.02153	3.5
113.02460	3.1
114.20397	2.3
116.92845	26.4
123.04529	13.1
136.01659	15.2
151.00371	4.8
151.04013	51.9
152.01152	13.1
153.01926	5.0
166.99356	2.7
167.03491	68.4
184.27173	2.4
191.07117	9.9
209.04507	2.9
269.06738	3.2
293.08084	3.6
294.08929	2.6
296.05392	9.9
311.07730	55.5
312.09958	10.1
327.12445	12.1
352.65567	2.6
357.13486	2.9
535.85187	2.9
606.28296	2.6
669.21918	100.0
698.68646	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	669.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
62.08015	0.7
67.01862	1.0
67.54751	0.8
71.01383	1.3
73.02921	1.0
101.02430	1.9
108.02165	5.8
109.02927	1.3
113.02393	1.2
123.04505	8.4
137.02451	0.9
148.55243	0.8
151.00311	6.4
151.03929	0.9
152.01131	16.9
153.01949	7.8
163.04129	0.8
166.02748	1.4
167.03481	31.6
170.28006	0.9
190.06360	1.2
203.07104	0.8
221.04559	0.9
280.07269	1.3
281.08252	1.2
282.08844	1.2
283.09851	1.2
292.07315	1.1
293.08163	1.0
294.08987	6.6
295.09787	2.0
296.05347	5.4
296.10599	1.7
297.07806	3.9
297.11017	1.4
309.07721	11.7
309.11371	7.6
310.08585	1.4
311.07486	8.9
312.10077	15.7
313.10556	1.0
323.09271	3.3
324.10046	21.3
326.11578	1.1
327.12344	17.8
339.12387	9.2
669.21918	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	671.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66205	1.1
54.25255	1.0
56.41245	1.2
56.75479	1.1
59.55986	1.1
62.94565	1.1
63.91932	1.2
66.36354	1.1
68.81797	1.2
71.01386	1.3
81.20441	1.3
89.16045	1.3
95.48476	1.2
119.05005	84.5
132.97597	1.4
145.02895	1.9
163.02626	2.0
163.04001	50.9
298.17291	1.6
299.01971	52.6
313.03470	7.5
314.04340	98.6
323.16312	1.6
328.05963	1.8
329.06653	64.2
331.19049	3.0
334.82056	1.5
404.67316	1.5
671.17712	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	671.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96924	0.3
55.80310	0.3
59.01378	4.7
64.17667	0.4
69.91142	0.4
70.31192	0.4
71.01356	0.5
73.02936	0.3
73.82339	0.3
80.70742	0.4
85.02903	0.3
87.00852	0.9
92.18982	0.5
97.11934	0.4
98.55461	0.4
101.02399	0.6
102.06391	0.4
113.02457	0.7
116.92862	1.8
126.45753	0.4
133.02951	13.6
135.04523	2.3
137.02449	0.4
161.02440	100.0
175.03952	0.7
179.03482	2.7
254.44502	0.5
323.09644	0.6
341.10846	2.1
383.12299	1.6
391.54276	0.4
475.16251	0.9
558.15985	0.4
629.17407	3.7
671.18359	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2354
Annotation	Saccharumoside A
Peak:m/z	Relative Intensity
57.42514	0.6
59.01379	3.8
63.10560	0.7
64.37216	0.7
67.68399	0.7
67.82748	0.6
71.01392	9.6
73.02956	1.1
75.00849	0.7
83.01381	0.8
85.02952	4.0
87.00874	0.8
96.99306	0.9
101.02444	10.3
107.01426	0.9
108.02168	4.7
109.02939	1.2
113.02438	6.5
116.92842	17.5
121.02949	0.9
122.03738	1.2
123.00919	1.6
123.04522	15.9
130.50832	0.7
135.04462	2.8
136.05322	1.7
137.02405	0.8
139.14272	0.9
145.02924	0.8
146.32118	0.7
149.02475	1.1
150.03247	5.2
151.00377	8.7
151.04025	1.5
152.01151	14.5
153.01990	2.7
159.04539	4.3
160.05287	18.3
161.02449	8.0
161.04579	1.2
161.06046	1.1
163.04028	4.4
164.04802	7.2
166.02751	3.8
167.03491	100.0
173.06120	1.4
174.06905	1.0
175.07640	32.3
175.09131	1.4
177.05576	6.4
178.06348	17.6
179.03529	4.3
181.05125	1.7
192.07956	11.4
193.08713	4.8
195.02988	1.0
201.82709	0.7
205.08658	0.9
209.04474	1.1
221.04466	1.5
251.05731	1.0
296.05405	17.0
311.07748	86.2
314.11530	1.2
315.12497	3.2
329.13956	41.4
534.50220	0.9
576.48566	0.9
629.16718	1.6
641.22479	68.3
671.23657	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47439	2.3
71.01371	2.7
72.63374	2.5
78.45611	2.7
81.47830	2.7
103.15161	2.6
123.00832	3.6
124.01633	5.8
133.66055	2.9
134.03690	5.0
138.03204	3.6
139.04034	5.8
150.03226	18.1
160.01659	26.9
161.02444	4.3
165.05579	21.2
175.03989	100.0
187.77737	3.2
193.05103	13.4
204.76207	3.0
244.07187	2.8
250.06418	3.0
250.57790	3.2
298.80536	2.7
301.87958	2.9
309.13565	2.9
314.04175	4.0
329.06644	5.1
341.10095	3.5
477.14072	74.9
673.20911	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	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54597	0.3
54.99696	0.4
55.01885	0.5
57.03429	0.5
58.00592	0.6
58.58344	0.3
59.01383	31.7
61.77132	0.3
63.82333	0.3
67.20985	0.3
69.03449	0.4
71.01380	20.4
72.99290	0.6
73.02945	5.2
75.00882	0.4
81.03447	1.5
82.28651	0.4
83.01407	3.5
84.31522	0.3
85.02943	4.5
86.07133	0.4
87.00869	4.5
89.02439	26.6
91.04031	0.4
95.01384	1.5
96.46741	0.3
97.02929	3.1
99.00864	0.8
101.02436	23.8
108.25821	0.4
111.04476	0.8
113.02451	11.4
115.03963	0.5
115.45361	0.3
119.03495	6.3
124.01699	0.4
125.02448	8.6
126.98634	0.4
131.03499	0.6
133.05093	0.6
139.03973	0.6
141.01990	0.5
143.03465	2.6
149.04587	0.5
152.99405	0.4
161.04573	4.8
169.05029	0.3
179.05659	2.6
181.05177	0.4
217.07147	0.6
221.06654	2.3
233.22733	0.6
235.08247	7.6
253.09343	2.1
259.20642	0.5
263.68182	0.4
275.20255	0.4
277.21729	79.2
287.07724	2.4
305.08813	2.4
323.09918	0.7
379.12567	0.5
397.13528	100.0
415.14594	30.0
418.37683	0.4
435.87592	0.4
555.71393	0.5
657.34918	0.6
675.35852	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	677.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11174	0.5
55.01884	0.6
55.47242	0.6
59.01381	34.3
60.67115	0.7
67.61823	0.7
71.01376	20.8
73.02942	3.9
79.08865	0.7
80.54728	0.7
81.03457	1.3
83.01389	3.9
85.02945	4.9
87.00877	4.7
89.02438	28.9
95.01392	1.4
97.02943	3.0
99.00871	1.0
101.02443	21.2
104.56680	0.7
113.02437	12.6
119.03518	7.2
125.02435	6.5
131.03442	1.2
143.03503	2.8
152.99649	0.7
161.04613	4.7
178.73030	0.9
179.05640	1.3
217.07059	0.9
221.06647	1.3
235.08237	7.0
253.09279	1.0
255.23216	0.8
279.23300	100.0
287.07629	1.3
305.08765	2.5
356.84164	0.8
394.65469	0.8
397.13531	98.4
406.60162	0.8
415.14575	28.9
494.23309	0.9
511.00427	0.7
677.37543	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	677.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
71.58332	0.2
78.97199	0.2
82.06632	0.3
92.18336	0.5
95.05019	1.9
99.91447	0.3
111.42692	0.2
112.07671	14.6
113.06086	4.1
115.89587	0.3
125.49123	0.3
129.10336	8.7
130.08720	19.3
137.07187	1.0
171.11470	0.3
187.21236	0.3
197.16533	1.0
199.18065	0.3
207.15021	7.5
208.13440	1.2
224.17686	6.7
225.16081	28.6
242.18744	1.1
243.17093	0.5
306.53964	0.3
320.23471	4.3
337.26074	7.9
338.24524	7.9
412.87955	0.3
433.31937	3.8
450.34598	4.3
451.33023	2.5
546.40332	1.9
563.42834	2.8
659.48645	5.3
677.49719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.209
Annotation	Scabran G3
Peak:m/z	Relative Intensity
53.81638	0.2
57.03455	0.2
59.01379	11.5
69.03452	0.4
71.01376	12.1
72.99290	0.7
73.02917	0.8
75.00861	0.2
77.66334	0.2
79.62595	0.2
81.03484	0.2
83.01376	1.3
85.02937	4.0
87.00851	1.6
89.02435	18.4
89.15653	0.2
95.01371	1.0
97.02935	1.3
99.00863	0.4
101.01797	0.4
101.02428	7.0
111.00869	0.3
113.02435	20.1
117.03431	1.1
118.91765	0.2
119.03487	3.6
119.04942	0.2
124.01675	0.2
125.02429	2.5
129.01923	2.1
131.03503	1.1
131.36993	0.2
132.02141	0.3
133.02899	0.2
134.03728	19.0
137.02434	0.4
141.08026	0.2
143.03490	2.4
149.04774	0.3
149.06071	5.9
160.01642	14.0
161.04539	2.9
161.85402	0.2
162.01942	0.4
162.53162	0.2
163.04019	0.3
175.03992	39.4
176.04823	0.4
178.02718	2.6
179.03380	0.2
179.05574	2.5
191.07126	1.7
193.05049	45.5
197.97385	0.2
205.05057	0.2
207.06604	0.2
231.06645	0.8
235.06107	2.8
257.08182	0.3
259.06058	0.9
261.07733	0.2
265.07196	3.7
279.96194	0.2
284.08859	0.2
289.07022	0.3
295.08118	0.3
319.08124	1.0
337.09387	2.3
341.10892	0.7
485.15002	1.4
503.16220	4.8
517.15411	1.1
679.20905	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	679.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	42.8
64.72204	0.8
71.01366	25.8
82.37167	0.8
83.53238	0.9
85.02936	29.2
85.03409	1.4
86.82599	0.8
87.00874	0.9
89.02425	64.9
92.25552	0.8
95.01413	0.9
101.02424	23.4
102.94787	0.8
104.04070	0.7
113.02424	17.6
113.03130	1.0
119.03473	26.8
119.04283	1.1
119.80554	0.9
136.04013	2.0
137.38605	1.0
143.03467	3.1
161.04543	3.4
163.95128	0.8
165.06688	2.1
177.10300	1.3
179.05623	9.6
221.09232	1.6
227.21106	0.9
265.09271	100.0
514.12891	0.8
538.63733	1.0
583.16827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17044	1.5
54.71529	1.6
57.00555	1.6
59.01377	4.1
62.38260	2.0
71.01383	2.8
80.16580	2.0
85.02966	4.2
89.02431	4.4
101.02409	9.8
102.41829	2.3
106.21131	1.9
107.90401	2.0
108.02171	23.7
109.02924	12.7
113.02425	2.2
117.29713	1.9
148.70949	2.0
151.03979	2.4
152.01140	100.0
153.01936	23.1
158.02390	3.2
160.04144	2.2
162.01973	15.9
173.05919	1.9
175.04030	3.3
185.25282	2.2
193.05025	4.6
212.28299	2.6
477.12460	95.0
518.15973	7.4
680.14941	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	681.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47366	0.5
53.48009	0.5
56.35478	0.5
62.55883	0.5
62.94968	0.5
65.43551	0.5
66.47539	0.5
69.97842	0.4
116.69034	0.5
126.90472	6.5
194.02211	7.8
214.02838	24.9
232.68250	0.5
234.03395	6.0
254.04070	100.0
271.89151	0.7
271.92126	20.1
274.04727	16.4
274.07791	0.6
495.02194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27510	1.3
59.01387	35.3
71.01387	21.8
73.02960	2.2
78.17352	1.7
83.01312	1.8
85.02958	2.9
87.00871	7.0
89.02441	36.5
95.73895	1.6
97.02948	2.4
101.02428	18.7
113.02448	11.7
119.03507	7.7
125.02445	6.3
179.05695	2.2
235.08134	4.2
251.69431	1.8
275.55515	1.8
283.26419	100.0
295.22842	2.0
320.11462	2.2
397.13568	91.7
415.14505	26.7
451.50964	1.7
681.40613	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	681.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54131	0.8
51.61283	0.9
53.17568	1.0
54.60792	0.9
54.88343	0.8
60.29624	0.8
71.59378	0.9
76.91547	1.3
86.08722	1.1
93.28116	1.0
99.08183	2.2
127.11314	1.7
139.11302	7.3
157.12350	1.1
165.12836	2.1
171.10309	15.5
183.13892	3.9
193.08450	18.8
205.12135	2.3
209.11830	1.3
211.13405	25.1
221.11588	11.8
229.14445	19.4
231.09969	7.8
233.11571	100.0
249.11058	20.2
251.12689	18.6
329.23337	66.8
351.21548	40.1
585.08044	1.4
615.04620	1.4
681.45801	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56567	0.4
59.01382	77.5
67.73302	0.4
71.01382	4.2
77.99286	0.4
79.39090	0.4
80.82295	0.4
81.24580	0.4
85.02934	0.7
89.02431	0.8
91.80887	0.4
92.19063	0.5
93.03461	0.6
101.02445	3.3
108.02168	3.9
109.02892	0.5
113.02421	2.6
116.92831	0.5
123.04517	9.8
123.57084	0.5
133.83986	0.6
143.03474	0.6
150.03194	0.8
151.00363	4.3
151.03979	1.0
152.01132	10.8
153.01942	10.3
161.04514	0.7
162.01918	0.6
165.05576	0.8
166.02670	9.9
167.03493	91.9
177.01918	0.6
181.05090	7.9
194.02228	5.5
195.02989	3.2
209.04561	60.9
239.05586	0.6
254.04628	0.6
269.06662	7.4
296.05365	6.4
297.06146	8.9
311.07770	28.2
323.40811	0.6
479.11951	10.1
521.13068	14.0
544.12335	0.5
555.33264	0.5
563.14136	3.0
623.16235	100.0
683.18115	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	685.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09931	0.2
59.01385	6.9
60.61329	0.1
66.13104	0.2
71.01368	0.9
73.02939	1.0
77.89087	0.2
81.03445	0.2
83.01379	0.4
85.02940	0.3
87.00862	1.0
89.02490	0.6
92.18322	0.2
101.02451	1.4
113.02460	1.5
116.92838	1.0
117.03470	0.3
125.02414	0.4
132.02162	6.0
132.30118	0.2
133.02936	0.8
134.03732	8.9
134.04700	0.4
143.03514	0.7
148.05222	0.2
149.06055	1.1
160.01657	76.8
161.02470	0.4
161.04555	0.9
167.03474	0.2
175.04004	100.0
179.03397	0.2
193.05046	7.9
198.15875	0.2
203.21124	0.2
235.06190	0.3
247.06160	0.3
271.61002	0.2
323.09772	1.0
337.09470	0.4
341.10889	2.4
383.12122	1.9
502.42371	0.2
583.17023	0.9
601.17743	0.9
625.17700	3.8
643.18823	4.9
650.10193	0.2
685.19904	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	685.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07273	2.3
59.01388	24.4
70.68279	2.8
71.01392	24.3
82.91038	2.5
87.00871	11.8
89.02442	27.0
101.02460	29.1
113.02446	18.5
119.03473	5.0
125.02460	6.5
143.03522	5.5
179.05701	3.6
227.20163	100.0
235.08168	4.8
241.21864	2.9
253.09222	4.7
255.23271	23.1
279.23294	48.9
305.21622	3.6
305.71527	2.9
387.01141	2.8
397.13510	83.1
415.14517	25.8
625.34619	52.0
685.48621	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	687.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	76.8
60.01691	1.4
70.76122	0.6
92.18389	1.3
123.00224	0.7
157.03558	6.6
159.01500	9.3
161.01137	1.4
201.02548	100.0
202.02679	16.5
203.02280	19.1
217.00294	1.5
301.02722	1.2
469.62936	0.8
627.02313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1922
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
56.17044	0.6
59.01376	8.9
65.22060	0.8
71.01369	1.9
75.66445	0.7
89.02417	3.7
91.14468	0.8
101.02406	1.6
103.85750	0.8
113.93732	1.0
117.74904	1.0
134.03705	1.2
159.70020	1.1
160.01639	10.5
161.02025	3.7
162.03238	5.9
175.03999	13.1
176.04358	5.5
177.05592	4.5
177.07893	0.8
183.38036	0.9
193.05092	1.2
270.01892	1.4
281.04657	2.1
282.05322	2.1
285.04019	10.7
290.15900	0.8
299.02057	10.6
299.05353	1.5
303.19766	1.5
313.03537	93.0
314.04300	21.6
327.05005	6.7
328.05865	100.0
329.06686	29.5
348.50168	0.9
477.12033	1.4
507.13312	7.3
687.20013	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	687.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77576	0.3
68.91531	0.4
69.45831	0.3
122.03722	2.3
133.02939	0.5
135.04465	0.4
137.02377	0.5
149.02415	2.6
150.03214	33.4
151.00349	0.7
164.04788	1.7
165.05559	48.2
180.04272	5.6
180.18254	0.4
195.06627	4.6
209.04659	0.6
237.29874	0.5
285.03992	2.8
299.01999	9.8
313.03571	13.5
314.04327	33.9
327.05054	0.9
328.05811	4.2
329.06671	49.8
341.06851	0.5
381.31827	0.4
447.09354	1.9
461.07327	10.1
475.08755	9.5
476.09659	8.6
491.12009	14.4
525.14172	0.8
687.19299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92649	0.3
59.01386	0.6
74.08947	0.3
87.35649	0.3
121.02980	0.5
122.03735	0.9
149.02414	2.7
150.03223	32.0
164.04822	2.2
164.56720	0.4
165.05568	71.5
180.04311	5.2
195.06636	12.2
224.70473	0.3
271.02567	1.8
285.04138	1.7
299.01990	25.8
313.03549	16.8
314.04355	65.1
327.05142	0.6
328.02280	0.6
328.05905	6.3
329.06693	65.8
343.04559	1.8
371.07901	0.8
431.91464	0.4
456.15329	0.4
461.07330	7.3
476.09637	5.8
477.12143	0.4
491.11978	9.9
525.14063	100.0
627.33252	0.4
662.89063	0.4
687.20044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10373	0.4
56.87522	0.4
58.89103	0.4
59.01380	2.5
60.20854	0.5
71.01381	0.7
73.02969	0.6
83.01367	6.1
83.54713	0.5
93.03426	0.6
97.13058	0.5
101.02441	1.0
116.92815	1.9
120.24777	0.5
122.03745	0.6
136.01579	0.5
137.02438	3.4
149.02440	2.5
150.03212	26.1
161.04552	0.6
164.04799	1.3
165.05551	65.4
175.04010	0.7
179.03461	4.5
180.04256	5.2
184.96518	0.6
193.05022	0.6
195.06609	9.8
202.45053	0.6
239.05603	2.9
244.03624	0.6
251.11145	1.1
283.06113	0.6
287.10043	0.6
299.01971	18.3
299.07700	3.0
313.03540	8.6
314.04309	54.2
316.82227	0.6
328.05988	4.7
329.06665	54.2
333.15457	2.6
335.13562	2.1
377.14542	0.7
392.83649	0.6
461.07248	4.1
476.09537	3.4
477.11890	2.3
491.12161	7.0
525.14032	100.0
602.83228	0.6
687.18878	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	690.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23438	0.3
52.69342	0.3
57.03458	0.3
58.34406	0.3
58.73227	0.3
59.01383	6.7
61.46852	0.4
62.20798	0.4
71.01374	4.8
72.99296	0.8
73.02955	0.4
75.00873	10.0
83.01382	0.4
85.02947	10.5
87.00865	3.6
89.02449	1.9
92.98943	0.4
95.01391	3.0
99.00867	5.1
101.02386	0.4
101.06076	68.5
103.00364	0.5
113.02447	17.9
115.00359	1.8
117.01932	2.3
129.01917	1.6
131.03456	0.5
162.01970	0.6
175.02469	1.6
189.08768	0.3
205.07278	0.4
231.05119	2.0
235.21758	0.4
249.06166	13.5
256.67474	0.3
267.07272	0.5
291.10690	0.5
296.82977	0.4
333.11984	0.8
351.12994	100.0
363.71545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98362	2.8
59.01376	22.0
71.01376	8.1
83.01331	4.0
89.02425	8.4
101.02444	6.6
113.02391	7.2
158.90439	3.5
161.04474	4.9
163.49397	3.1
177.01985	4.7
228.00613	5.9
229.01468	28.6
239.12859	5.7
243.02911	54.1
267.06534	4.1
274.98810	4.5
280.07370	7.1
281.08191	21.8
282.08932	8.5
283.05859	4.0
293.04428	6.6
295.09604	15.6
302.65427	3.5
307.05948	5.9
308.06989	6.6
323.09290	7.7
325.07336	3.8
326.07855	15.7
341.10379	8.4
349.07309	8.1
351.05042	6.5
355.59729	3.3
367.08200	52.1
402.38983	3.5
647.19763	30.6
691.18762	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	691.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69651	1.7
57.03440	10.6
59.01368	30.8
68.66151	1.9
69.98592	1.9
71.01362	27.7
73.02937	4.7
82.75174	2.2
83.01369	4.2
83.70914	2.1
85.02943	13.9
87.00838	3.3
89.02431	22.9
92.86785	2.1
96.96016	3.7
99.00885	3.4
99.04462	3.2
101.02425	33.4
113.02422	16.6
119.03482	11.6
125.02399	12.1
129.82661	2.0
138.39012	2.2
143.03532	3.5
145.70280	2.4
151.03864	2.2
152.08383	14.7
153.09174	26.1
161.04536	13.3
161.09579	3.0
205.12341	17.8
223.13420	16.8
470.31473	2.3
529.12885	2.5
529.22668	13.6
547.23962	41.4
589.24695	8.7
691.16986	4.5
691.28217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.4
62.99936	1.8
67.86084	1.8
71.01381	5.0
84.43713	1.9
85.02967	2.3
89.02445	13.3
101.02432	8.5
113.02460	11.5
119.03522	2.2
125.02496	2.3
148.04152	3.3
154.21623	2.3
160.04034	57.7
162.01984	3.9
162.05589	27.8
168.82843	2.1
188.03519	11.1
191.20406	1.9
198.44342	2.3
206.04608	83.4
248.05600	8.4
289.40482	2.2
430.79019	2.1
580.84503	2.7
621.73584	2.7
692.20538	100.0
715.27429	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	693.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22755	0.2
51.49065	0.2
53.95608	0.2
59.01368	1.1
71.01366	1.3
74.12397	0.3
81.09787	0.2
85.02973	0.3
87.00866	0.4
89.02417	1.1
101.02426	0.3
113.02412	1.4
117.03380	0.5
118.20559	0.3
119.03462	0.4
119.05004	0.5
123.43770	0.3
132.02148	4.5
133.02942	0.3
134.03714	8.2
135.04486	0.3
143.03467	0.3
149.06056	3.1
160.01630	54.9
161.02434	1.5
163.04086	0.3
172.60962	0.3
175.03976	100.0
176.04741	0.3
178.02684	1.6
191.07098	1.6
193.05043	17.4
193.06850	0.6
207.06628	0.9
217.04944	0.4
235.06053	5.5
265.07059	0.3
276.37158	0.3
282.33893	0.3
295.08255	1.9
337.09286	1.7
499.14291	3.9
517.15625	7.5
693.20294	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	693.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28475	0.6
58.96641	0.7
59.01382	8.4
59.53074	0.7
67.31028	0.6
71.01379	10.3
72.99320	0.7
75.00854	6.8
83.01382	1.0
85.02946	8.9
87.00888	4.5
89.02436	4.1
91.05521	13.1
95.01385	3.0
96.43504	0.8
99.00887	4.4
101.02431	3.0
103.00365	3.0
113.02448	23.1
115.00335	1.2
117.01926	1.2
119.03487	1.4
120.06970	0.7
125.02506	0.8
129.01913	1.0
131.03409	0.9
135.04495	6.9
145.08714	5.0
162.01917	1.3
175.02402	1.3
190.41135	0.7
190.83687	0.8
231.47017	0.7
249.06160	20.6
257.36838	0.8
267.07227	41.7
307.13998	11.8
364.11652	0.8
385.11438	100.0
403.19669	0.7
479.52087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32904	0.3
54.92854	0.2
59.01376	1.7
60.37804	0.2
87.77777	0.3
101.12791	0.3
102.21642	0.3
134.03926	0.3
143.18674	0.3
165.48154	0.3
197.43823	0.3
227.20108	1.4
259.20776	0.4
275.20145	0.4
277.21729	100.0
281.24869	37.6
306.66013	0.3
428.50330	0.3
475.76147	0.3
488.89822	0.3
693.46924	0.6
720.23956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43705	0.4
59.18499	0.4
60.02180	0.5
60.49592	0.4
68.59876	0.5
69.69769	0.5
104.95537	0.5
117.03448	4.5
118.04268	4.2
119.05019	82.6
121.02956	5.7
123.04517	2.4
133.02953	0.6
145.02966	2.2
161.02475	0.7
162.03244	2.8
163.04013	100.0
175.04031	1.1
176.04823	2.1
177.05574	4.8
191.07184	1.0
199.03935	0.7
216.50420	0.5
284.41571	0.5
339.08731	1.1
531.16656	53.0
695.21216	1.0
695.38086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
60.28960	1.1
65.42301	1.1
71.01399	1.2
85.02933	4.4
89.02401	1.2
106.71987	1.1
117.03374	1.5
134.03740	19.2
149.02408	10.1
149.06050	5.8
160.01656	41.1
161.02048	2.2
162.02020	2.2
164.04797	20.8
175.04001	100.0
176.04356	8.1
177.04512	1.5
178.02737	1.6
179.07053	2.1
181.94910	1.2
190.02713	4.4
192.88896	1.1
193.05051	22.8
197.67325	1.0
205.04970	8.6
208.03772	6.6
223.06134	21.8
235.06104	2.6
249.45796	1.5
271.12210	1.3
299.86932	1.2
311.67743	1.4
471.15134	73.1
501.15952	5.2
656.27472	1.2
695.21741	46.4
696.83295	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	697.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37109	1.2
50.37373	1.3
53.69614	1.2
56.65766	1.4
59.01385	18.3
71.01382	10.1
73.02935	1.6
85.02957	6.6
87.00867	6.7
89.02447	11.4
91.53860	1.5
93.58629	1.6
95.72935	1.5
97.02978	2.7
101.02438	11.9
113.02444	11.0
119.03485	2.3
120.04552	1.5
122.06079	6.4
125.41525	1.6
134.02489	2.4
136.07695	3.4
143.03525	2.3
150.05600	86.3
152.07141	16.5
160.04062	11.0
161.04587	3.2
162.01974	17.3
166.40511	1.7
168.06612	3.5
173.25786	1.6
174.05650	2.8
176.07094	2.2
188.07193	2.7
192.06656	2.5
204.03050	1.4
230.08118	1.9
233.60992	1.6
294.09830	2.2
354.12012	2.4
365.95316	1.7
474.15927	13.8
516.17322	10.0
534.18292	100.0
679.19910	7.7
697.20953	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	697.2294
Annotation	Dadahol A
Peak:m/z	Relative Intensity
50.86343	0.2
58.83631	0.3
59.01377	0.6
61.98800	0.5
63.04364	0.2
69.33604	0.2
80.47440	0.3
81.25631	0.2
82.33003	0.2
93.03462	0.5
97.14346	0.2
117.03469	5.1
118.04222	1.3
119.05015	100.0
121.02936	2.8
122.57915	0.3
123.04523	0.5
126.83894	0.3
129.43742	0.3
134.03763	1.4
145.02946	26.0
162.03256	2.5
162.59761	0.3
163.04002	76.1
164.53319	0.3
165.05588	0.4
174.99220	0.4
177.05589	0.6
193.05096	1.5
204.86398	0.3
209.08171	0.4
217.00281	2.8
226.53247	0.4
319.01135	0.3
341.10388	0.5
413.82022	0.3
425.22012	0.3
453.08398	0.3
490.23917	0.3
493.37354	0.3
532.98157	0.6
551.18878	2.0
697.22943	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2289
Annotation	Dadahol A
Peak:m/z	Relative Intensity
57.90489	1.5
69.99112	1.5
70.95824	1.7
80.67626	1.8
90.57359	1.5
107.05008	3.4
111.97588	1.6
115.55059	1.6
117.03491	12.2
119.05008	84.8
132.69888	1.8
135.04529	11.3
136.01590	2.4
145.02934	69.9
152.25725	2.1
163.02655	3.9
163.03992	90.8
165.05496	2.0
166.02698	2.8
177.05528	2.7
184.03265	1.7
206.65762	1.6
234.50081	1.8
321.07693	9.6
337.07236	3.7
367.11945	3.5
502.73886	1.7
697.22943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
68.54977	0.6
71.01373	1.2
74.91056	0.5
113.02439	0.8
132.02187	2.4
134.03729	14.3
137.02513	0.8
149.06075	5.6
150.03217	3.3
159.04498	1.2
159.84801	0.6
160.01659	29.3
160.05295	7.2
161.02441	0.8
161.06079	2.9
163.03998	2.7
164.04808	3.8
173.06129	0.9
175.04004	100.0
175.07591	18.1
177.05562	4.2
178.02663	0.6
178.06357	9.2
191.07120	0.8
192.07912	4.7
193.05057	25.0
193.08749	2.7
205.05025	0.7
207.06712	0.9
235.06218	0.7
236.56721	0.6
314.11313	0.8
315.12378	1.1
322.06760	0.6
329.06729	1.1
329.13971	22.1
337.09311	21.7
354.68381	0.6
667.24048	16.8
697.25177	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	698.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94257	0.7
59.01373	2.3
61.96426	0.8
66.46146	0.8
68.10704	0.8
71.01372	1.7
78.03458	1.0
81.44311	0.9
86.39068	0.9
89.02455	1.5
101.02423	1.9
102.42458	0.9
106.02974	6.5
106.03641	0.8
113.02429	1.9
123.72301	0.9
125.02412	3.8
133.66626	1.0
134.02451	15.8
143.03436	1.4
154.02692	1.6
160.04016	9.0
162.01941	100.0
169.05011	8.5
186.01935	1.3
204.02977	4.3
288.34064	0.9
321.56122	1.1
331.20911	1.0
401.41620	1.1
475.14328	7.0
493.15625	1.7
522.41138	1.1
535.16553	19.2
680.18109	4.5
698.19299	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	699.2444
Annotation	CHEBI:70667
Peak:m/z	Relative Intensity
51.68215	1.7
54.84244	1.7
56.12914	1.7
59.44516	1.8
107.05013	23.8
117.03440	3.1
119.05017	68.8
134.03719	2.8
135.04518	92.5
145.02969	20.5
149.17809	2.0
163.03989	100.0
165.05588	4.2
172.05241	2.1
321.07581	2.1
322.08231	2.7
323.09042	9.0
324.09930	2.7
335.71524	2.3
338.11652	2.7
339.08798	27.8
341.90036	2.2
354.11151	8.6
369.13638	16.6
379.11508	2.7
699.24274	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14705	2.1
59.57685	1.9
68.85981	2.3
71.53413	2.2
75.33810	2.5
102.44704	2.3
117.03474	4.2
119.05013	80.6
119.05873	2.8
145.02937	34.3
149.02443	3.7
150.03235	52.4
151.04015	4.1
163.04002	100.0
165.05592	52.9
205.22467	2.7
266.65231	3.1
281.04465	5.3
294.05362	3.5
295.06097	47.2
296.06793	6.1
310.08527	14.4
311.05621	45.2
326.08029	12.9
341.10336	21.7
548.64984	3.9
555.18579	4.8
571.30731	2.9
653.20215	3.3
701.22498	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	701.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93513	0.5
52.10729	0.5
59.01380	55.5
59.82423	0.5
61.98822	6.6
62.77885	0.5
73.38452	0.5
74.08566	0.6
77.84815	0.6
90.24321	0.6
91.74274	0.6
151.34853	0.5
184.26939	0.7
211.13405	3.1
229.14465	2.7
255.23288	100.0
265.73553	0.6
293.21255	1.2
311.22238	7.4
329.23291	13.6
362.64514	0.7
505.21698	0.7
567.46143	5.1
614.08691	0.8
616.89185	0.7
631.72137	0.8
641.50244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56717	1.5
53.09419	1.5
59.01388	1.7
69.88619	1.6
70.41220	1.5
70.64574	1.7
71.01405	1.8
72.03690	1.5
76.94009	1.6
87.43433	1.6
93.03423	1.7
132.27347	2.0
135.04541	2.2
149.02400	3.3
150.03217	46.3
153.82608	1.5
165.05556	57.9
180.04242	7.1
190.02690	3.5
191.99814	1.7
195.06624	6.7
205.05144	15.0
275.20380	3.1
311.02039	3.1
323.09912	1.9
326.04358	19.6
327.05002	4.2
329.06708	3.4
341.06799	19.5
427.12622	3.2
431.07553	4.1
441.06409	2.0
447.07248	14.5
448.08194	3.1
459.07092	25.8
461.08881	9.0
462.09662	11.2
463.10187	7.6
473.08737	2.1
474.09558	17.5
477.07217	16.5
489.11874	46.9
491.09824	10.1
492.10358	14.0
507.13004	100.0
600.76147	2.2
673.18506	2.4
685.18964	3.8
703.20392	56.0
703.32703	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	703.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02353	0.7
70.24746	0.7
108.02126	1.2
112.44119	1.1
118.87463	0.8
123.04516	1.8
149.02510	0.9
150.03183	1.5
163.03967	8.0
164.04784	13.2
165.05565	1.4
176.04750	2.1
178.02766	1.3
178.06378	4.5
179.07162	4.9
190.02618	1.1
191.03477	1.7
192.04332	11.2
196.03760	1.9
200.27931	0.9
204.04262	1.9
205.05070	4.6
206.05840	3.5
207.06638	35.7
210.05374	4.1
219.06686	6.0
223.06020	1.9
225.05615	1.0
237.07672	4.8
240.04298	3.8
255.06548	2.0
256.07495	1.3
270.08957	1.8
271.02341	1.1
271.09839	1.4
282.05502	1.1
283.06055	5.2
285.03970	3.3
295.06113	7.9
297.07861	1.2
298.08487	26.4
299.01971	41.1
300.10074	3.4
310.08484	9.0
312.09991	1.0
313.03625	16.0
313.07364	1.5
313.10846	16.2
314.04364	75.3
328.05872	9.1
329.06702	100.0
343.11896	12.1
373.12952	29.1
401.08771	8.1
475.05130	0.9
590.45929	0.9
673.19244	30.1
685.19318	13.5
690.71960	1.1
703.20734	16.0
703.33588	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	703.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43724	0.4
53.57942	0.4
57.03442	0.6
59.01371	5.8
59.35030	0.4
64.74312	0.4
71.01372	4.9
71.24755	0.4
72.99299	0.9
73.02943	0.7
75.00856	7.4
85.02936	10.2
87.00861	3.5
89.02423	1.6
95.01362	2.4
99.00858	5.6
101.02442	0.6
101.06061	65.5
103.00365	1.8
113.02423	15.9
115.00333	0.9
116.90007	0.4
117.01926	2.7
129.01918	1.7
148.80429	0.4
164.38864	0.4
175.02370	1.4
205.07164	0.6
222.04677	0.5
231.05130	0.9
249.06131	11.2
267.07248	0.7
276.18423	0.4
291.10788	0.7
333.11996	0.5
351.12939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95040	3.5
55.96494	4.0
59.01386	47.3
69.32653	4.2
71.01376	68.9
85.02961	4.8
88.04046	36.2
89.02438	70.8
101.02441	31.8
113.02438	61.5
119.03500	25.8
131.72458	4.7
146.08212	51.0
161.04459	6.9
167.03497	5.7
179.05606	5.8
218.10333	26.5
341.10953	100.0
362.14490	6.4
380.15521	9.3
453.75308	4.8
503.16150	69.4
557.17395	17.8
674.08850	4.7
704.26453	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	705.215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38471	2.3
59.01376	3.8
59.91643	2.2
66.28236	2.3
66.87334	2.3
71.01368	10.2
88.07905	2.5
89.02442	6.3
99.13593	2.8
101.02397	3.4
109.02971	2.6
112.42370	3.2
113.02440	5.0
113.51489	3.0
116.05043	16.8
120.80451	2.4
133.01938	2.9
133.02951	79.4
133.03912	2.9
149.06670	2.6
151.03998	4.5
159.09277	6.0
161.02419	11.1
176.03510	44.7
177.01866	20.9
187.04012	4.5
203.01601	2.6
203.08273	25.1
205.05083	3.9
210.04019	2.6
216.03014	18.0
219.02946	27.8
319.10822	29.4
345.08795	15.5
363.09872	28.4
501.12518	100.0
523.47809	2.9
705.21869	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	707.1831
Annotation	Fe-coproporphyrin III
Peak:m/z	Relative Intensity
51.91566	1.4
52.34506	1.4
56.43311	1.5
65.81077	1.8
95.96946	1.8
115.10179	1.8
124.65102	1.7
133.02951	8.5
135.04486	13.8
135.62607	2.1
138.20581	2.3
161.02432	100.0
164.34491	2.0
177.05576	2.3
179.03500	37.6
210.32379	1.9
251.05644	3.9
312.62402	1.9
355.74460	1.9
362.52170	2.2
505.39612	2.6
545.15436	4.4
707.18164	63.5
737.99976	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77112	1.0
54.75810	0.9
59.01381	100.0
63.83736	0.9
107.50632	1.2
143.10779	5.5
157.12328	4.6
171.13875	15.4
173.75861	1.1
174.61317	1.2
277.21716	8.9
279.23361	5.1
344.18549	1.2
356.27988	1.1
376.06686	1.4
696.81567	1.4
707.46027	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	707.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30481	0.4
51.98725	0.5
54.35309	0.5
56.24320	0.4
59.01382	38.6
62.94141	0.5
73.02954	0.6
96.74094	0.5
116.08663	0.6
120.60729	0.8
153.09230	3.1
190.21541	0.7
223.33446	0.6
257.15588	0.7
277.18033	0.8
289.17960	0.8
303.19675	6.5
318.24280	0.7
331.19205	16.2
331.22992	1.3
339.19537	2.5
357.20718	37.7
369.20816	0.9
573.35498	2.8
591.36432	2.4
601.35504	3.7
611.38293	0.6
619.36426	28.5
629.38538	5.2
643.36383	8.3
644.13177	0.7
647.39581	100.0
648.40173	1.0
661.37610	13.1
707.36475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42897	0.6
59.01387	9.6
61.81710	0.7
68.21533	0.7
76.43883	0.7
92.19051	1.0
111.00619	0.8
119.05012	1.0
153.09280	1.4
162.28201	0.9
163.04027	1.1
195.51903	0.8
241.00404	0.9
277.17755	0.9
303.19547	6.1
321.18500	0.9
331.19168	23.6
339.19528	1.6
357.16357	1.7
357.20758	37.0
367.47318	0.9
441.13226	1.5
499.17776	3.2
573.35651	2.9
591.37036	3.8
601.35339	3.2
619.36481	37.1
629.38507	6.2
643.36493	8.2
647.39606	100.0
661.37592	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	709.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33781	3.4
56.35910	2.5
56.48229	2.6
57.02140	2.6
57.03454	6.1
97.87343	3.1
107.54781	3.0
210.98073	3.0
244.44153	3.1
263.80328	3.5
285.04071	5.6
299.02002	18.2
313.03543	49.8
314.04358	100.0
328.05930	37.3
329.06650	97.8
355.00629	2.8
565.15686	53.0
577.90015	3.2
607.16498	40.0
623.29071	3.2
647.19714	11.8
665.71613	3.5
709.19476	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
59.23256	1.1
60.89816	1.3
71.01361	3.3
73.02924	1.7
85.02943	2.0
88.66991	1.3
89.50773	1.2
101.02421	2.7
106.02944	3.0
113.02467	1.8
120.31849	1.4
122.02453	39.1
134.02449	19.2
137.02414	2.9
160.04002	8.1
161.04593	1.6
162.01944	100.0
186.01979	1.8
190.02660	2.4
205.05040	2.6
265.07138	1.6
424.78876	1.6
546.18439	12.4
568.16632	2.4
691.20111	3.2
709.20746	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	709.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78355	0.3
55.14635	0.3
57.03435	0.3
59.01383	14.5
71.01379	13.1
72.99297	0.5
73.02934	0.7
83.01365	1.7
85.02943	5.4
87.00853	1.8
89.02435	17.8
95.01369	2.4
97.02933	1.3
99.00858	0.6
101.02437	8.1
107.42299	0.3
113.02436	22.8
119.03484	4.3
121.02908	0.5
125.02437	3.8
129.01910	1.9
131.03487	1.7
135.47220	0.3
137.02426	0.3
139.15359	0.3
143.03464	2.7
143.04422	0.3
147.04521	1.8
149.02429	5.2
149.04588	0.3
153.05560	0.4
160.90508	0.3
161.04562	2.8
162.01865	0.4
164.04788	18.8
169.04997	0.4
175.00360	1.4
179.05583	2.3
179.07138	3.9
190.02727	17.9
191.03546	0.3
205.05058	34.1
206.05687	0.4
208.03778	5.2
221.08197	1.4
223.06110	40.8
237.07739	0.4
247.06136	0.4
261.07925	0.4
265.07135	3.0
287.09174	0.4
289.07181	1.1
295.08292	2.9
334.06384	0.4
335.76599	0.3
341.10779	0.6
367.10522	2.4
371.09879	0.4
462.59998	0.3
473.55093	0.3
485.15149	1.7
503.16208	3.9
547.16962	0.7
709.21985	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	709.2299
Annotation	Moracenin D
Peak:m/z	Relative Intensity
54.66728	0.5
69.26910	0.6
73.00006	0.6
81.14481	0.6
114.49146	0.6
117.03461	3.5
119.05025	100.0
121.02937	1.0
123.04528	0.7
132.05823	0.7
145.02953	21.0
163.04015	64.6
177.05623	2.6
179.32924	0.6
279.23334	4.1
307.06018	1.1
319.06113	3.9
320.06915	1.3
322.08646	0.8
334.08524	1.0
335.09158	0.9
545.18127	7.7
709.22998	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	709.2297
Annotation	Moracenin D
Peak:m/z	Relative Intensity
51.09401	0.6
51.53124	0.6
54.05718	0.5
61.98822	1.0
87.60876	0.7
92.18993	1.0
93.03452	16.2
117.03466	7.5
119.05018	64.3
121.02962	1.5
138.03232	3.8
143.05019	18.6
145.02957	59.3
153.05598	6.9
158.03705	0.7
159.04539	5.4
162.03224	1.3
163.04008	79.7
164.04790	3.5
169.50909	0.7
171.04591	1.3
177.05531	1.6
179.07169	4.3
187.03995	8.0
188.04753	1.4
194.05817	0.9
195.08167	1.0
199.04019	30.1
201.05579	1.0
203.07193	3.0
209.08168	3.0
223.07680	6.9
229.01451	2.8
233.06029	0.8
235.07716	1.5
251.07132	7.5
261.05615	1.4
262.06360	2.5
263.07126	21.7
264.07947	3.6
277.08633	4.7
278.06058	2.5
278.09537	3.3
279.06647	53.6
279.23221	1.0
280.07141	0.7
293.08167	8.1
293.21371	0.8
294.09009	21.7
295.06131	0.9
295.09497	0.7
307.05994	0.8
309.11313	9.2
323.05524	11.0
338.08023	10.1
339.08667	1.5
353.10315	47.5
394.97357	0.8
414.24014	0.8
421.56601	0.8
545.18359	2.4
563.19434	9.2
649.40509	0.7
709.22992	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	709.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04519	1.5
52.93465	1.1
59.01384	24.8
71.01381	14.5
89.02448	23.9
95.01366	2.5
101.02448	17.6
113.02443	16.2
117.05605	8.3
119.03502	12.5
123.75552	1.5
133.05058	1.8
161.66481	1.6
162.01994	2.8
180.06740	11.8
182.65077	1.5
203.36243	1.7
203.38179	1.9
223.30583	1.9
223.88808	1.7
249.06152	17.2
267.07169	2.0
276.48901	1.6
295.10379	100.0
302.34244	1.5
317.26984	1.8
367.12411	40.5
454.52234	1.9
476.11676	1.7
546.18372	3.5
548.71625	1.5
709.20526	2.8
727.84210	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	711.2454
Annotation	Sanggenon T
Peak:m/z	Relative Intensity
62.65530	1.1
63.77988	1.0
65.46442	1.1
90.89458	1.0
92.18399	1.9
101.75620	1.2
117.03480	2.2
119.05020	73.7
120.05351	5.5
121.02924	5.2
135.20245	1.0
145.02937	17.1
162.03239	5.9
163.04022	59.1
164.04353	1.8
177.05579	1.4
225.39049	1.2
229.04854	1.4
281.24911	1.3
300.06375	7.6
301.07214	5.1
315.08768	46.9
316.09750	1.4
330.11115	6.2
335.42590	1.1
533.18085	1.3
711.24463	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	713.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07932	0.8
64.85780	0.9
67.89828	0.9
101.02468	1.1
116.92849	1.7
117.03446	9.0
125.02500	1.0
134.03719	82.7
149.06059	8.8
162.01920	1.2
178.02690	6.5
191.03531	1.3
193.05038	100.0
229.71065	1.1
238.94890	1.0
572.74268	1.1
713.24847	1.7
736.21228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.2
61.98831	8.7
63.02437	1.6
63.89189	1.4
68.17754	1.9
71.01378	23.5
73.02942	3.5
75.32794	1.5
75.49155	1.7
77.01598	1.5
83.01411	1.9
87.00877	2.7
89.02438	30.6
97.02920	2.5
101.02431	21.8
106.55946	1.8
113.02427	10.8
119.03461	10.0
125.02429	10.7
161.04514	3.4
235.08189	4.0
250.99435	1.9
255.23283	100.0
279.23080	2.3
281.24857	31.1
282.25153	3.2
397.13443	84.5
415.14706	19.0
479.36786	2.0
481.53067	2.1
592.10657	1.9
653.37628	54.5
713.51093	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	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84149	0.1
57.47037	0.1
68.52579	0.2
69.30450	0.1
71.66757	0.1
74.06350	0.1
79.96255	0.1
89.10998	0.2
90.68583	0.1
96.83443	0.1
106.19884	0.2
122.02428	0.2
130.08731	0.2
140.80511	0.1
145.16451	0.1
164.46724	0.2
164.51228	0.1
225.16133	1.1
314.04330	0.7
329.06509	0.6
608.80127	0.2
653.17529	0.4
659.48492	0.2
677.49731	0.8
713.47430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
72.78869	3.6
72.79317	3.9
89.38136	3.8
119.05031	19.6
121.02927	7.9
145.02943	9.1
159.98488	4.9
163.04021	18.0
267.06775	4.5
269.08142	17.7
274.46939	4.7
281.08270	8.0
282.09000	16.9
285.82767	4.8
293.08191	6.6
295.09744	6.1
296.10416	7.9
297.07721	4.3
307.09613	7.6
307.58359	4.4
308.10562	9.4
309.11398	18.4
321.11218	9.8
323.12946	30.7
326.11703	15.8
337.10568	7.1
429.13870	5.5
535.16211	8.5
541.55603	4.5
549.97241	4.7
577.18762	15.5
589.19092	6.5
625.24933	19.9
637.24426	37.7
649.23724	16.7
655.25671	24.2
667.25397	100.0
679.25378	81.4
685.26398	19.9
697.25006	5.9
715.24438	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	715.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58500	0.8
56.36178	0.8
59.01383	2.3
71.01379	2.5
73.53302	0.9
85.02949	1.2
101.02399	2.1
113.02482	1.3
116.92822	2.0
119.05070	1.2
134.66806	1.0
144.07535	1.1
146.34135	1.0
147.04370	1.1
149.02406	4.0
162.03181	1.2
163.03886	1.2
164.04791	17.7
165.05553	1.9
175.03990	2.6
179.07065	2.5
190.02713	42.0
205.05045	100.0
223.06110	15.9
247.42371	1.1
265.07187	2.4
319.54929	1.1
363.89273	1.0
715.29767	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	717.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44644	1.0
57.53619	1.1
59.01381	2.5
71.01366	1.4
80.77017	1.3
89.02441	1.9
101.02460	1.7
114.28193	1.1
121.02988	1.3
133.22295	1.3
151.03934	1.3
165.05614	1.7
175.04034	2.1
180.04274	8.2
195.06624	9.1
210.05435	2.2
282.05518	1.6
285.04086	8.5
299.02179	11.4
313.03571	92.9
313.07224	3.3
314.04333	38.9
327.05121	7.0
328.05911	100.0
329.06665	36.3
342.16599	1.5
447.10889	2.9
463.94803	1.5
477.12100	27.0
495.25845	2.3
555.15204	27.6
627.21295	1.7
657.19623	2.2
657.30975	2.9
717.20526	13.6
717.31805	2.2
734.21234	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	719.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22797	1.0
58.68565	1.0
59.01356	9.0
59.01611	1.1
59.79661	1.2
61.09796	1.1
71.01366	11.8
73.02928	2.4
83.01363	2.2
85.02925	2.3
87.00824	2.1
89.02437	11.7
90.01674	1.1
91.01537	1.1
91.07004	1.3
101.02422	11.9
101.43085	1.3
113.02392	8.3
119.03477	5.1
125.02393	6.3
131.03548	1.6
137.02388	1.4
143.03445	5.3
148.03986	6.4
148.23201	1.3
159.03036	2.1
160.04027	83.0
161.04526	6.5
162.01910	2.4
162.05600	55.9
176.03502	2.7
179.05597	2.7
186.05435	1.4
188.03548	18.7
206.04572	98.1
221.06851	1.6
230.04514	2.5
245.06573	1.6
247.04823	2.6
294.52505	1.3
341.10785	3.0
425.12994	5.1
468.23611	1.5
530.15045	2.6
575.70819	1.6
698.55206	1.6
719.18903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.7
60.73121	0.2
66.88578	0.1
69.07529	0.2
69.88261	0.2
71.01374	2.7
73.11106	0.2
77.89236	0.2
87.00842	0.2
89.02435	7.9
89.02985	0.3
96.70254	0.2
101.02443	2.5
108.63288	0.2
113.02441	2.1
119.03479	3.2
131.03447	0.8
139.24080	0.2
143.03479	1.0
149.04550	0.4
161.04561	1.2
179.05606	4.4
197.02290	0.2
215.03314	1.4
341.10889	10.1
377.08575	100.0
400.73502	0.2
461.03436	0.2
509.55768	0.2
623.49463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40894	0.7
57.03451	15.1
59.01376	40.0
71.01369	19.9
79.49532	0.7
83.01418	1.2
85.02932	1.5
89.02425	33.7
92.18917	1.0
95.01388	0.9
99.04500	16.7
101.02425	27.1
113.02437	14.5
119.03473	21.8
125.02441	7.0
131.03458	1.1
143.03500	1.0
149.04585	1.1
160.04024	1.9
161.04539	9.0
161.08150	1.0
162.01947	1.1
162.05617	1.5
171.12659	0.8
179.05624	1.2
184.78006	0.9
203.88577	0.9
206.04604	4.0
251.11305	12.9
293.12378	4.8
323.13461	100.0
395.15527	61.8
719.19238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
88.17503	0.2
92.18378	0.4
95.04971	1.2
112.07671	8.4
113.06065	2.3
129.09499	0.2
129.10332	4.4
130.08722	12.4
137.07208	0.2
153.10213	0.3
197.16667	0.3
207.15036	4.2
208.13359	1.2
224.17648	2.9
225.16081	22.8
242.18730	0.3
287.50519	0.2
320.23438	2.3
337.26099	3.5
338.24518	7.3
355.27356	0.2
433.31680	2.5
439.35577	0.2
450.34625	2.6
451.32788	2.3
546.40222	1.3
563.42725	2.7
564.41095	0.3
659.48608	5.7
677.49719	100.0
720.50336	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
94.48317	0.8
101.02440	0.9
122.03751	1.1
123.70535	0.9
136.67316	0.9
150.03221	15.4
151.04022	2.0
165.05571	15.7
177.68971	0.9
180.04262	1.6
190.95982	1.1
258.24194	0.9
281.04535	1.2
282.05243	1.2
285.04086	6.0
299.02032	43.6
299.05359	2.4
313.03574	42.3
314.04337	100.0
327.05002	4.1
328.05942	21.9
329.06702	81.2
341.06668	1.7
343.08276	1.3
511.39859	1.1
525.14337	4.7
577.29688	1.1
673.19434	15.8
685.18781	1.6
721.21552	57.2
721.32739	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	721.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73417	2.9
54.79679	3.0
58.28611	3.2
59.01375	14.7
61.20301	2.8
64.59156	3.0
66.24448	3.5
71.01377	16.1
74.27569	3.3
77.36124	3.1
82.48647	3.2
85.02956	3.7
87.63127	3.1
89.02444	21.6
91.74500	3.1
94.72814	4.7
101.02456	14.3
113.02441	28.8
119.03456	3.4
127.93649	3.4
134.03778	4.9
145.02991	5.4
160.01630	43.2
161.04538	4.5
162.01952	24.3
175.03995	96.0
193.05035	14.0
503.16309	7.1
679.20233	8.2
721.22101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
59.81524	1.0
66.69373	0.8
71.01391	1.1
74.40005	0.9
108.92920	1.0
120.46005	0.9
175.04005	2.1
188.18961	1.2
276.21982	1.2
282.05368	2.0
285.03925	3.7
299.02084	1.1
299.05475	1.4
311.05792	1.3
313.03580	64.8
314.04370	4.3
327.05219	5.5
328.05923	100.0
329.06857	6.8
477.12076	2.3
507.13089	30.8
687.18713	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	723.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
62.38145	0.3
67.87446	0.3
71.01369	1.8
87.00864	0.8
89.02428	2.4
90.79814	0.3
99.64188	0.3
101.02435	2.0
107.05728	0.3
113.02431	1.3
117.03371	0.3
119.01315	0.4
132.02141	0.6
134.03728	14.0
147.00859	0.5
149.02370	1.3
149.06078	4.0
160.01640	15.2
161.02393	0.7
164.04782	4.1
173.88097	0.3
175.00374	9.5
175.03993	41.7
176.04787	0.7
178.02759	1.6
179.07106	0.6
182.95303	0.3
190.02716	95.9
191.03517	1.3
191.07109	3.9
193.05054	24.1
195.06369	0.4
203.03590	0.3
205.05052	100.0
207.06627	1.7
208.03819	1.5
209.54112	0.3
217.04893	0.4
223.06104	4.5
235.06131	8.0
265.07217	1.7
277.07086	0.4
283.24188	0.3
295.08273	3.0
303.58383	0.4
337.05688	0.4
337.09293	1.3
355.10754	0.6
367.10413	3.0
499.14511	4.7
517.15631	16.3
529.15717	0.7
547.16846	1.6
716.68195	0.4
723.21448	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	723.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
71.01377	0.7
75.00845	0.8
78.03474	1.0
89.02451	0.7
101.06048	1.3
106.02983	5.7
122.02460	40.8
134.02461	17.4
137.02431	0.8
154.44028	0.7
160.03998	8.5
162.01953	100.0
186.01883	2.4
204.03052	3.1
228.24376	0.7
266.73193	0.7
351.12875	1.2
454.92990	0.7
518.18677	1.4
545.36841	0.7
560.19836	17.4
582.18073	1.3
634.02856	0.8
639.93805	0.8
705.21869	4.1
723.22607	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	723.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82606	0.2
69.95635	0.2
95.04995	1.4
112.07652	7.8
113.06063	2.6
114.30549	0.2
129.10320	5.1
130.08710	14.6
130.09616	0.5
140.56735	0.2
141.58083	0.2
153.10210	0.2
194.41092	0.2
197.16524	0.3
207.13202	0.3
207.15009	5.0
207.32040	0.2
207.93332	0.2
208.13271	1.3
215.64267	0.2
224.17610	2.2
225.16057	27.4
239.12842	0.3
242.18607	0.4
266.18585	0.3
280.65939	0.2
289.77551	0.2
320.23425	2.8
337.26050	4.9
338.20609	0.3
338.24487	6.9
364.26816	0.2
385.88144	0.2
410.69406	0.2
433.31781	2.9
450.34482	3.4
451.32877	2.7
515.53491	0.2
546.40179	1.3
563.42896	2.5
564.40948	0.4
659.48639	7.3
677.49640	100.0
678.49927	0.2
680.50696	0.8
723.50232	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	725.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39299	1.1
59.01390	1.3
98.82406	1.3
106.23872	1.5
116.77563	1.6
137.02440	1.6
140.82939	1.5
160.03986	1.9
162.01926	5.9
191.03566	1.8
220.50438	1.5
251.09990	1.7
263.05304	1.7
283.07449	1.4
297.07712	2.6
317.26181	1.7
323.05399	2.4
325.07068	7.2
353.06641	62.2
365.06573	6.2
383.07660	38.5
391.47083	1.7
395.07669	3.0
398.75681	1.7
413.08643	7.7
437.08563	2.0
443.09787	9.1
473.10635	2.2
725.19238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70013	1.5
58.77379	1.4
59.00655	1.7
59.01368	2.1
78.98038	1.4
79.25614	1.6
84.81478	1.3
142.46378	1.7
169.82083	1.6
184.80424	1.6
190.17453	1.4
244.10016	1.5
297.07910	2.6
311.05499	2.1
323.05536	1.9
325.07037	6.9
335.05789	1.9
345.40869	1.8
348.21033	2.1
353.06656	57.0
365.06784	3.1
367.08249	2.1
383.07715	9.4
395.07538	23.3
419.07913	3.7
425.08725	3.9
437.08755	6.8
443.09753	6.1
485.10449	2.0
725.19348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85675	0.8
104.59335	0.9
114.92933	1.0
117.23656	1.0
148.01015	0.9
162.01955	1.2
205.53117	1.0
216.09389	1.0
299.01996	5.7
313.03574	12.6
314.04385	24.1
315.05151	6.0
328.05942	9.4
329.06714	100.0
477.10367	1.4
577.74683	1.0
607.12982	2.0
637.17871	49.8
669.16492	1.2
725.19501	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	725.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42576	3.1
68.99813	4.4
71.42470	2.6
73.36488	2.6
74.88560	2.8
76.79904	3.0
84.41319	2.6
90.80128	3.6
92.20997	2.9
108.02181	5.0
117.03451	5.4
119.05010	30.5
123.04491	12.0
145.02942	18.4
162.03212	6.0
163.03987	40.1
177.05627	24.8
178.02715	25.1
179.03490	3.4
193.05070	32.8
213.80171	3.2
307.06107	4.6
321.07675	45.4
322.08481	11.7
336.09970	29.3
337.07266	49.5
352.09457	14.7
367.11935	19.0
441.39920	3.6
450.06271	3.9
561.17578	29.9
579.18652	26.4
689.46997	4.0
707.20544	4.6
710.52209	3.6
725.22437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99865	1.1
55.31487	1.0
58.25432	0.9
58.91359	1.1
59.70682	1.0
59.97069	1.0
61.98832	2.3
95.04998	1.3
117.03461	34.0
118.04243	32.2
119.05016	81.7
121.02936	45.5
123.04498	14.4
131.09828	1.3
133.02931	12.0
134.03703	2.4
143.56770	1.4
145.02942	33.6
153.05515	1.8
154.53699	1.3
162.03206	38.3
162.80482	1.2
163.03999	100.0
167.63634	1.5
177.01930	1.6
192.04381	3.2
195.78632	1.4
198.03940	1.3
206.61496	1.2
207.06619	1.7
223.06146	2.8
369.09796	24.6
561.17645	21.1
579.18823	8.1
725.22473	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	725.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52686	1.1
59.01367	1.9
59.41691	1.1
71.01379	2.2
101.02428	1.6
121.02998	1.4
135.04477	1.2
140.69997	1.4
149.02420	3.1
163.04059	1.4
164.04834	11.6
175.00392	6.5
176.43152	1.1
190.02737	53.2
190.06384	1.6
205.05069	72.5
205.07001	2.9
209.04550	1.6
222.05475	1.6
223.06166	9.8
223.59546	1.4
261.75067	1.4
274.42108	1.4
294.09033	2.6
297.07825	4.5
307.09915	1.8
308.10739	1.8
309.07675	17.5
309.11331	6.4
312.10114	20.6
313.03613	29.7
314.04199	6.2
315.04395	2.3
324.10071	21.8
327.05096	1.8
327.12338	17.2
328.05911	47.3
329.06604	10.1
330.06519	6.1
339.12390	7.9
367.10422	15.5
502.46332	1.4
507.13263	16.7
725.24664	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	727.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
74.39379	0.3
87.05067	0.3
107.04976	0.3
107.76139	0.3
116.76686	0.3
117.03443	10.0
118.04218	1.4
119.05001	66.2
121.02898	1.3
138.03246	0.6
145.02934	57.1
148.49220	0.3
151.00378	1.3
152.01160	2.6
153.05457	0.4
162.03218	0.5
163.03987	64.2
165.01871	0.5
166.02698	6.5
167.03482	4.2
177.05524	2.0
181.05029	6.0
190.06184	0.3
192.04225	0.4
193.05110	0.3
195.06577	0.6
288.06332	0.3
302.08096	1.2
323.09216	0.4
352.65421	0.3
357.09726	0.3
468.49393	0.3
475.59171	0.3
563.19574	0.6
630.84338	0.3
727.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11156	0.3
59.75639	0.3
60.41301	0.2
66.09356	0.2
93.03448	0.3
93.59413	0.3
117.03446	6.0
118.04229	0.6
119.05011	100.0
120.05332	0.5
121.02957	1.3
123.04465	0.3
132.05780	0.4
138.03229	0.4
145.02948	47.3
147.04492	0.3
153.05653	0.4
157.08344	0.3
163.04002	87.6
164.04411	0.5
177.05576	2.5
285.03769	0.3
298.04834	0.6
299.05582	1.3
313.06943	0.4
317.08295	0.5
319.06180	0.3
324.06442	0.3
332.06662	0.3
335.09067	0.4
336.06711	0.3
337.07126	1.2
339.08780	3.2
347.09152	1.1
351.08759	1.3
353.10272	1.0
354.07474	0.4
354.11139	3.0
369.09534	0.5
369.13678	0.5
383.07742	1.2
397.09106	0.3
398.10095	1.5
413.12421	0.5
485.12558	3.1
500.15115	0.4
515.17157	1.2
533.18317	0.5
545.18158	23.9
563.19525	1.0
667.33643	0.4
679.21924	0.4
709.23071	6.8
727.23987	78.5
728.23865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45696	0.1
59.30064	0.2
87.15450	0.2
91.05517	0.2
93.03433	0.4
117.03442	4.3
118.04215	2.3
119.05003	100.0
121.02935	1.9
123.04504	0.4
133.02919	0.2
145.02936	23.2
156.30006	0.2
162.03206	1.5
163.03989	72.9
166.02780	0.3
177.01971	0.3
177.05533	0.2
192.04283	1.7
207.06595	0.8
209.08069	0.2
225.07722	0.2
371.11298	1.2
581.20398	2.4
727.23981	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92112	0.6
55.96072	0.7
71.01366	2.9
89.02411	0.8
99.00909	0.7
100.98758	0.9
101.02426	1.6
113.02414	3.3
116.92872	1.1
119.44991	0.8
121.02906	0.9
134.03751	0.9
136.05324	0.8
149.02420	5.6
150.03214	3.6
159.04622	1.3
160.05316	9.3
161.06068	0.8
163.04037	1.6
164.04807	23.0
175.00331	3.8
175.04005	1.7
175.07652	22.6
177.05562	5.4
178.06351	11.2
179.07172	5.9
188.60030	0.8
190.02725	41.6
191.03525	1.5
192.04265	0.8
192.07898	7.7
193.05084	1.1
193.08730	1.1
205.05072	98.1
208.03787	1.3
209.04434	1.2
211.13457	1.0
223.06104	19.3
314.11542	1.2
315.12146	0.9
329.13956	33.7
329.23389	1.7
352.07916	1.6
359.14850	0.8
367.10342	28.3
415.65540	0.9
468.78513	0.9
522.03333	0.9
605.20215	1.2
630.93396	0.8
697.24988	11.9
727.26117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49264	4.6
59.01389	6.2
60.88073	4.1
62.31643	4.2
101.02473	7.7
118.49790	5.5
123.04536	5.0
145.02954	49.0
146.03699	6.6
147.04515	8.5
161.02466	22.2
162.03239	71.8
165.05531	9.9
174.03181	6.4
175.03943	11.5
182.73427	5.3
279.06860	6.9
279.10294	25.1
280.07529	6.8
282.08984	11.0
293.04459	7.3
294.08945	28.5
305.04514	5.4
308.06989	39.5
309.07654	18.4
314.98563	5.1
320.07004	10.3
323.05978	9.0
323.09277	57.5
324.10043	5.2
336.09946	7.3
338.07892	33.0
341.10410	10.7
351.12634	6.2
353.10352	74.1
380.09119	12.2
383.11478	8.2
395.11383	42.8
525.13623	8.5
537.37756	5.2
564.07489	5.2
681.21851	10.1
693.21893	53.9
699.23187	75.1
711.22803	68.1
729.24109	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	729.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27628	1.6
63.44923	1.5
65.36081	1.5
66.63171	1.7
78.96042	1.5
82.34608	1.6
92.18979	3.2
117.03400	2.2
119.05018	65.7
142.56499	1.9
145.02948	84.9
145.04066	3.2
146.03740	9.8
148.33453	1.7
150.03246	10.4
161.06110	3.6
163.04001	79.6
164.04758	9.8
165.05563	13.7
177.05576	2.7
179.07162	19.6
195.06566	3.7
217.05072	6.8
219.06400	2.3
222.98941	1.6
233.99467	1.7
270.05292	6.6
270.08932	6.8
271.06238	7.8
285.07712	90.6
286.08472	7.2
300.04709	1.7
300.10040	43.5
301.10818	3.9
331.11847	23.0
397.12939	100.0
506.15784	2.3
515.16821	3.7
551.19214	2.7
681.23175	3.1
699.25220	2.0
712.55017	1.7
729.25427	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	729.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40656	0.4
65.48084	0.4
66.35266	0.4
93.03416	0.8
96.23279	0.5
117.03454	7.7
118.04224	3.1
119.05010	79.5
121.02958	5.5
122.03719	4.7
122.17751	0.5
123.04501	2.7
133.02939	2.7
134.03714	0.9
143.91454	0.5
145.02945	47.9
149.02440	8.4
150.03210	62.2
151.04004	4.4
160.01636	0.9
162.03220	3.4
163.04001	100.0
164.04851	3.2
165.05554	57.4
177.05617	1.0
179.07166	1.9
180.04301	7.4
181.05032	2.6
195.06599	6.0
205.76225	0.5
224.08372	0.5
283.09808	3.3
287.09219	0.6
294.09235	0.5
308.06961	0.8
309.07547	3.2
310.08374	0.6
311.09308	0.8
321.07516	0.8
322.08502	4.4
323.09219	10.0
324.06454	2.4
324.10007	4.0
337.10785	0.9
338.11740	3.8
339.08746	41.8
340.09378	0.7
353.10107	0.6
354.11066	9.2
369.13452	10.4
517.18951	0.8
532.17224	4.7
533.18384	1.8
583.21893	0.8
605.20416	2.3
612.17963	0.6
681.23462	4.7
711.24805	3.3
729.25562	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	731.2357
Annotation	CHEBI:69778
Peak:m/z	Relative Intensity
53.21232	1.8
54.73877	1.7
97.47476	1.8
98.47421	1.8
101.00262	2.1
101.84638	1.9
117.03448	10.4
119.05019	100.0
121.02968	2.5
145.02948	38.5
150.03241	3.3
153.58014	1.9
163.04008	96.1
165.05536	4.0
166.02724	8.3
181.05063	8.3
210.05417	2.8
212.09865	2.1
255.92815	2.4
274.62833	2.3
285.07681	3.2
300.07068	2.0
567.18896	4.4
644.71100	2.1
731.23535	84.7
731.36603	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	731.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71828	0.8
57.72678	0.8
61.87304	0.9
75.88303	0.9
85.02962	10.6
89.16140	0.8
108.71970	1.0
119.05036	1.7
125.77760	0.8
127.11301	1.1
137.09740	3.9
145.02925	1.2
163.04059	3.4
171.10262	29.5
211.13397	14.5
217.82745	0.9
221.11848	3.4
229.14439	13.8
239.12816	1.3
240.20474	1.0
262.81891	0.9
291.19638	3.4
295.66660	1.1
309.20801	1.1
327.21790	100.0
373.39725	1.1
378.53833	1.0
420.09482	1.4
652.44208	1.1
731.25537	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	733.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18134	0.6
59.01360	2.6
71.01339	0.7
71.38040	0.6
96.99988	0.6
103.00283	1.1
106.02914	0.9
113.02275	0.6
134.02394	3.7
159.03146	0.8
160.04012	100.0
161.02347	1.5
162.01956	23.8
174.01874	0.7
184.69456	0.6
194.36067	0.6
202.04942	2.6
204.02968	5.4
206.04494	0.8
238.37607	0.7
505.44379	0.8
526.15369	0.8
570.14148	3.7
733.04535	1.3
733.16760	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11021	1.7
74.80424	1.8
76.88788	1.6
79.51981	1.5
81.70562	1.9
88.01204	1.9
92.18767	10.2
92.53513	1.8
92.77084	1.8
96.35697	1.9
107.06954	2.1
119.05035	3.5
121.02928	3.2
123.04485	2.5
133.02914	2.6
134.03696	4.1
135.04445	2.3
145.02934	2.3
146.03683	2.8
149.02467	12.2
149.05971	6.3
150.03206	60.0
151.03949	2.7
161.06041	2.4
163.03920	2.7
164.04782	4.7
165.05554	100.0
177.05528	7.4
180.04218	9.6
182.33275	2.4
195.06642	23.9
231.76184	2.1
281.08112	3.2
298.08643	4.3
309.11209	3.1
321.11209	3.3
323.12784	3.5
325.10736	2.2
343.11948	2.8
361.55307	1.9
477.19162	10.6
489.19168	4.1
511.57465	2.0
519.20294	13.1
607.21820	2.1
637.20636	2.5
655.26288	2.8
667.25366	25.4
673.26434	17.7
679.25256	2.4
685.26276	7.9
697.26575	13.1
703.27795	39.5
715.27649	43.3
733.28668	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	735.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	0.6
59.01380	10.6
62.23203	0.5
63.92215	0.6
69.82453	0.5
71.01378	5.7
73.02924	3.1
83.01354	0.8
85.02927	3.9
87.00838	1.3
89.02428	4.5
97.02927	2.5
99.00867	0.6
101.02434	8.1
106.02973	1.4
113.02447	5.3
119.03497	1.2
124.01662	0.7
125.02427	3.3
131.03531	0.8
131.72449	0.7
132.04523	2.7
134.02423	4.8
143.03499	2.8
144.04536	1.3
148.04036	5.0
148.24536	0.6
150.05603	3.3
159.03197	1.4
160.04031	87.4
161.04782	8.9
162.01956	35.8
162.05602	68.9
175.02760	0.7
176.03531	4.5
186.05582	1.2
188.03539	9.8
194.04533	1.3
202.05057	0.7
204.03029	5.3
205.03709	0.8
206.04587	100.0
222.04155	4.6
230.04634	1.4
247.04654	0.9
248.05695	4.7
265.04645	0.6
350.08749	4.4
357.73785	0.6
366.08267	1.5
368.09879	3.6
410.10620	1.1
512.14252	2.4
530.15259	6.9
572.16266	40.6
717.18030	2.8
735.18884	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11793	1.4
72.12488	1.3
98.56951	1.3
109.02956	1.6
118.52154	1.4
121.02942	3.1
122.03749	1.8
123.04477	1.8
133.02940	3.1
134.03700	6.5
149.02464	9.8
149.06017	3.5
150.03207	53.7
151.04036	2.7
160.01732	2.9
161.06023	1.7
163.04008	1.7
164.04765	2.5
165.05547	100.0
175.04045	9.8
179.07153	1.7
180.04242	6.2
195.06657	14.3
203.54442	1.8
269.08170	1.8
282.09055	6.0
295.09760	1.7
313.10828	3.6
325.11038	1.7
327.12463	2.5
339.12457	2.4
383.48859	1.5
449.15720	3.1
463.17645	2.3
475.17862	2.5
491.16998	2.5
493.18750	2.2
494.19397	7.7
506.19266	5.9
509.21732	10.7
521.22021	16.3
542.17957	1.6
657.27264	3.6
669.26880	11.6
670.84509	1.7
687.27832	11.9
699.27930	7.6
705.29114	41.8
717.29132	20.2
735.31128	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	735.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25734	1.6
59.01389	100.0
91.39906	1.9
101.99971	2.3
114.06156	2.8
134.01041	2.1
167.27225	2.1
171.13971	17.8
199.17081	2.6
200.82294	2.3
255.58900	2.3
332.22629	2.5
354.36816	2.3
464.16177	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	739.1878
Annotation	Halistanol Sulfate G
Peak:m/z	Relative Intensity
54.27692	2.4
59.01371	5.4
70.78239	3.1
71.01373	4.1
134.03749	7.0
175.03986	14.9
191.07162	19.1
193.05013	24.1
207.06509	3.7
235.06093	13.5
293.04529	58.3
311.05573	7.2
323.05536	4.0
341.06503	5.5
345.64145	3.3
383.07648	27.7
407.16431	3.7
502.64072	3.4
563.14264	6.1
696.83185	3.5
739.18463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1882
Annotation	Isovitexin 7-O-(6'-O-E-p-coumaroyl)glucoside
Peak:m/z	Relative Intensity
52.23439	0.9
59.01366	4.3
59.98417	0.9
71.01365	2.1
86.07953	1.0
90.96130	0.8
100.53399	1.0
101.02421	2.1
110.71581	0.9
113.02373	1.1
119.05029	11.3
125.23745	1.0
133.06584	4.3
139.03935	1.3
145.02916	11.8
155.26929	1.1
156.10361	1.1
161.06049	21.4
163.03992	25.6
177.05583	8.8
189.21812	1.0
204.98070	1.0
205.05058	19.2
206.44057	1.0
265.07059	4.1
269.04504	4.6
281.04593	4.5
282.05380	4.1
283.05890	1.2
293.04587	74.6
295.06137	2.2
311.05643	11.6
314.04221	1.1
323.05667	9.1
335.05527	5.5
341.06696	8.1
353.06546	2.0
413.08875	14.1
515.58429	1.1
593.15131	9.5
593.54999	1.2
739.18744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87904	0.9
57.03449	4.0
59.01384	7.9
71.01376	4.5
73.36482	0.9
74.85216	0.8
80.86282	0.8
83.01392	1.6
83.86974	0.9
87.00869	2.2
89.02441	6.7
96.30831	1.0
99.04511	2.2
101.02446	4.1
113.02433	4.3
116.38593	0.9
119.03547	1.1
124.01672	5.6
126.08160	1.1
128.72156	1.1
129.94884	1.0
134.03728	19.7
139.04015	11.5
149.06062	9.6
160.01657	6.4
161.04640	1.1
175.04004	68.7
178.02655	1.5
191.07170	4.3
193.05072	74.0
207.06773	2.0
207.08702	1.8
235.06111	21.1
265.07196	3.7
271.90018	1.0
295.08212	6.9
337.09329	1.8
343.10287	2.1
351.13019	8.7
517.15637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.9
64.76923	1.4
68.14517	1.5
71.01366	12.7
79.84415	1.3
83.01357	1.8
85.02956	2.5
89.02428	19.8
101.02441	8.0
112.01538	1.3
113.02444	23.3
114.79819	1.7
119.03490	2.9
125.02422	2.7
128.14345	1.6
129.01968	3.5
134.03746	15.0
143.03490	2.1
149.05998	3.9
153.94731	1.5
160.01691	12.0
161.04532	3.5
162.01985	2.5
173.40195	1.5
175.03987	46.5
178.02663	2.1
179.05627	2.9
193.05045	58.9
235.06180	1.8
265.07291	1.8
275.44202	1.6
279.43536	1.8
464.12076	1.7
503.16565	3.1
679.20929	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	739.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62689	0.8
54.95629	0.9
64.22704	0.9
65.48615	1.0
78.79147	1.0
83.30334	1.2
84.27177	1.2
86.97620	1.0
88.71320	1.1
89.80312	1.0
108.02187	2.0
117.03442	5.4
119.05014	80.6
123.04517	6.4
138.03253	2.0
145.02948	55.7
153.05545	5.0
158.03731	4.8
163.04001	100.0
171.04486	2.2
173.06107	8.3
179.07172	1.8
189.05516	1.4
201.05579	2.2
202.02693	8.4
214.02744	6.3
215.03554	9.1
217.05139	8.2
229.05022	14.2
253.08617	4.7
266.05801	2.3
277.04971	2.5
278.05753	5.0
281.08167	5.9
293.04974	2.1
293.08157	23.2
294.05304	7.6
294.08640	1.8
307.09781	5.5
308.07010	1.8
308.10480	4.3
308.27884	1.2
309.07700	41.7
310.08163	1.5
323.09247	7.0
324.09915	16.1
325.07193	1.9
339.12347	18.4
352.09399	1.4
353.06619	10.9
368.08957	6.8
369.09634	8.1
383.11365	59.1
463.02335	1.4
466.05038	1.2
593.19977	10.3
739.24023	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	741.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08797	0.4
61.89974	0.5
95.61972	0.5
100.70939	0.5
101.62328	0.5
112.78586	0.5
117.03459	0.6
119.05017	32.0
123.00861	3.1
138.03239	17.9
145.02968	5.9
153.05566	21.5
158.69666	0.5
163.04007	24.6
187.03961	1.2
189.02010	0.8
191.03436	0.7
203.03519	4.8
203.07138	0.7
205.04991	1.2
215.03421	0.8
217.01405	7.0
217.05042	1.1
218.05795	2.2
230.02258	2.8
231.02924	0.6
231.06560	1.0
232.03790	5.3
233.08211	1.1
245.04570	2.4
247.06134	8.0
256.45102	0.6
292.03998	0.9
320.03323	2.2
321.04102	0.9
322.04828	1.2
323.05533	1.2
324.06384	2.3
327.08633	2.2
334.04675	0.9
335.05634	4.4
336.06384	4.7
337.03461	5.5
337.07077	1.0
338.03867	0.6
339.08713	4.2
340.05807	2.8
349.07132	1.2
350.04227	0.7
351.05054	2.6
352.05862	10.6
353.03000	3.3
353.06744	1.1
354.07458	0.9
355.08240	9.7
365.06750	2.2
366.07547	1.1
367.04214	1.2
367.08282	15.7
368.05368	5.3
369.09662	3.3
370.10776	1.1
371.07666	1.3
381.09830	3.7
382.06924	2.6
383.07706	15.1
386.10129	2.9
397.09238	5.7
398.09940	4.8
401.12418	3.6
413.12445	100.0
431.13483	5.6
558.14319	0.8
577.17206	30.8
741.21753	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	741.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10123	1.4
71.56068	1.5
82.79877	1.7
117.03478	2.6
119.05017	100.0
121.02915	1.7
134.03735	2.6
135.04599	1.6
145.02951	31.4
160.82970	1.7
163.04004	88.5
177.05568	2.1
182.96207	1.8
193.04990	2.2
218.34207	1.8
257.38696	1.8
269.07010	1.7
314.03842	1.6
315.08621	2.4
344.28967	2.1
354.10898	2.7
402.25452	1.9
545.18304	24.3
681.40350	2.1
709.22919	7.3
711.91821	2.1
741.25403	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	741.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	80.4
70.55633	4.2
71.01364	49.0
79.28136	3.7
79.71384	4.0
84.31821	4.1
85.02939	7.1
89.02428	100.0
91.99716	4.1
99.62065	4.1
101.02402	39.7
113.02431	31.6
119.03465	38.2
119.85892	4.2
123.04526	7.2
179.05591	47.7
203.07079	14.6
280.89636	4.2
281.68359	4.4
299.13669	3.7
309.11414	17.7
320.03574	4.4
339.12366	15.6
501.17789	58.5
519.18719	78.8
688.02924	6.5
754.75153	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	741.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31702	4.9
54.74429	5.4
56.43337	4.3
59.01389	56.7
61.98819	28.3
71.01389	9.3
78.95901	9.4
89.02450	22.1
101.02436	13.6
110.58444	5.6
110.98531	9.5
113.02367	8.0
141.01642	9.4
142.01938	5.4
149.15410	6.1
154.84546	5.5
167.01198	5.5
171.10263	36.6
182.91573	5.5
195.13968	11.5
277.21637	61.4
283.26376	64.3
295.22708	86.9
329.23318	5.5
382.33826	6.0
397.13483	69.1
415.14847	8.2
468.28430	5.9
485.53027	6.1
681.40582	38.9
741.47107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.1
59.60265	1.3
63.14844	1.5
71.01371	12.2
73.02940	9.0
81.94543	1.4
82.80045	1.7
83.01361	2.2
85.02930	2.5
86.96435	1.5
87.00871	8.9
89.02449	12.7
94.64503	2.0
95.98610	1.6
96.09169	1.7
97.02943	3.3
101.02432	18.8
106.02995	7.4
113.02431	8.9
113.97311	1.7
119.03462	3.3
125.01461	1.9
125.02389	4.1
134.02481	18.4
143.03532	3.5
145.02946	7.9
160.04054	21.2
161.04532	9.7
162.01964	100.0
162.03195	10.2
176.22610	2.0
177.05504	2.1
179.05513	2.0
186.02023	2.9
195.06677	15.0
204.03076	6.9
218.42639	1.8
221.06599	2.5
222.04037	1.8
314.67709	1.9
431.00684	2.4
494.03351	2.6
501.16150	2.5
519.17206	7.0
561.18372	25.0
579.10504	3.2
579.19324	78.5
680.87042	2.1
724.21350	6.9
742.22321	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	743.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02274	1.2
57.71270	1.2
65.56866	0.9
73.51760	1.2
117.03471	2.0
119.05024	100.0
121.15799	1.1
135.04526	2.9
145.02971	20.1
150.03218	2.1
151.00331	1.3
158.11844	1.2
161.02460	2.6
162.03258	1.4
163.04013	85.7
165.05557	2.5
166.02692	10.6
177.05579	1.7
179.03546	2.4
181.05063	15.3
193.05077	1.7
203.03471	1.6
234.05379	2.9
249.07751	5.6
259.19168	1.3
377.71893	1.3
385.12839	1.7
395.17551	1.3
397.12607	1.2
397.76999	1.2
415.14212	6.0
454.83218	1.5
579.18964	20.2
743.23492	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	745.2499
Annotation	CHEBI:69780
Peak:m/z	Relative Intensity
54.53190	1.6
63.79253	1.8
64.54556	1.7
74.43727	1.8
75.41879	1.8
76.67619	1.8
85.70886	1.7
117.03465	8.0
119.04999	48.1
122.66618	1.9
123.04485	2.1
134.03754	3.6
138.83868	2.0
145.02937	44.7
149.02359	2.6
149.06050	2.8
150.03210	24.3
151.03987	3.0
161.02315	1.9
162.03214	100.0
163.04002	43.8
164.04723	2.1
165.05553	24.4
166.02650	2.5
177.05548	98.4
178.02728	3.0
179.03474	2.9
181.04947	2.2
193.05075	12.1
193.78410	2.8
195.06636	2.1
209.54745	2.1
256.07516	2.7
271.09705	2.9
301.10602	2.2
329.23108	2.8
351.30188	2.1
443.14166	2.6
507.31909	2.2
549.17377	4.1
567.18671	25.8
594.24762	2.4
681.02228	2.5
697.22791	2.4
727.23877	18.2
745.25067	69.7
745.38300	3.2
764.11945	2.6
779.15649	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	747.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30616	0.6
58.13528	0.5
59.01365	2.9
64.44351	0.7
71.01378	1.0
71.01987	0.6
75.06702	0.6
78.46612	0.7
89.02425	1.3
99.72572	0.6
101.02411	1.2
121.02906	1.0
128.33302	0.7
143.64977	0.7
148.84743	0.8
150.03175	1.6
162.03189	4.4
165.05522	1.6
167.18004	0.7
177.05499	5.5
191.10037	0.8
193.05011	1.0
206.58090	0.8
244.99712	0.9
260.55447	0.8
268.03918	0.8
282.05319	4.3
285.04126	5.3
299.02130	5.2
299.05057	1.2
313.03510	62.8
314.04282	15.1
322.08505	1.0
325.10922	1.1
326.58170	0.8
327.05081	6.0
328.05856	100.0
329.06625	23.7
337.10715	1.0
355.85208	0.8
477.11774	1.2
507.12881	22.1
551.19135	1.0
687.19452	4.3
747.26166	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	747.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13742	0.7
56.54236	0.8
59.01376	4.1
59.20087	0.7
60.02498	0.7
60.99127	0.9
62.47382	0.8
67.96537	0.8
71.01362	3.4
74.21346	0.7
89.02438	4.2
101.02434	4.0
108.02174	0.8
116.65312	0.9
123.04500	6.9
126.55987	0.8
150.03148	2.0
151.00398	1.2
152.01155	4.0
154.45670	1.0
161.02402	5.1
165.05605	1.2
166.02711	11.9
167.03476	55.7
181.05080	16.5
194.02180	8.8
194.05914	0.9
209.04539	100.0
212.21550	0.9
239.05550	14.9
255.06680	3.6
256.07346	1.5
269.06644	46.2
270.08957	3.5
271.10062	1.2
301.10730	2.1
319.78088	0.9
320.06482	1.1
329.08759	24.5
366.08749	1.0
747.17914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2663
Annotation	Henriol C
Peak:m/z	Relative Intensity
63.37170	0.9
67.39796	0.9
70.26304	0.7
74.68416	0.7
79.11475	0.8
79.92503	0.9
92.18384	2.7
117.03443	9.7
119.05009	88.9
121.02979	1.7
122.03741	3.7
134.03714	1.3
135.04489	4.2
136.01660	3.3
145.02948	73.1
146.03728	1.9
149.02431	6.2
150.03207	54.7
151.03983	8.1
157.75258	0.9
163.04004	100.0
164.04822	6.7
165.05560	68.9
166.02724	2.1
177.05576	1.8
179.07117	1.6
180.04253	6.1
181.05064	6.0
181.28754	1.0
194.05798	1.0
195.06612	9.8
282.40710	1.0
284.00119	1.0
293.08313	1.4
532.16693	1.1
533.18048	7.9
542.30151	1.1
550.18292	1.9
551.19458	12.4
567.18713	4.9
610.33185	1.1
661.90265	1.0
699.24628	1.1
717.77100	1.1
729.25531	50.3
747.26636	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	747.2663
Annotation	shizukaol H
Peak:m/z	Relative Intensity
73.72473	0.6
92.18975	0.9
93.03446	0.8
117.03440	10.1
119.05013	90.1
121.02934	4.0
122.03764	4.8
123.04498	2.9
132.05826	1.1
133.02933	1.2
135.04552	0.7
136.01656	1.5
145.02945	66.6
145.06691	0.8
146.03748	10.3
149.02415	6.1
150.03210	67.1
151.04005	6.4
161.06029	6.3
163.04004	77.6
164.04779	13.6
165.05553	85.8
166.02681	3.6
166.16675	0.7
177.02017	0.8
177.05566	1.5
179.07140	11.6
180.04272	10.4
181.05107	7.1
189.05690	1.3
189.94827	0.7
192.04279	1.1
193.05049	0.7
194.33755	0.8
195.06651	10.3
207.06485	0.9
370.71265	0.9
371.11389	2.9
497.61179	0.8
550.18683	3.7
551.19293	26.3
567.18744	12.7
680.33813	0.9
699.24854	1.4
729.25519	15.9
747.26617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2647
Annotation	Henriol C
Peak:m/z	Relative Intensity
56.74709	5.2
60.74076	4.5
67.60936	4.5
70.80183	4.0
71.53933	4.4
73.02276	4.3
87.20852	5.4
101.80886	4.4
104.10883	4.8
117.03465	7.3
119.04995	93.2
145.02916	73.2
150.03206	50.8
151.03943	9.1
163.03989	100.0
165.05534	75.9
193.05045	6.9
195.06662	5.2
272.78247	5.7
332.05270	5.3
367.49963	5.5
454.79019	5.4
551.19226	11.9
729.25262	36.0
747.26587	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86571	0.6
59.01377	1.2
59.17954	0.7
67.68397	0.7
69.80443	0.6
92.00198	0.7
116.33554	0.7
133.02956	8.9
135.04514	14.6
146.03697	1.1
150.03189	1.7
161.02432	100.0
164.04779	1.0
165.05530	3.4
177.05511	1.3
179.03485	36.5
179.07083	3.7
181.04973	0.9
207.06607	1.6
221.04588	1.4
251.05620	3.2
305.06442	0.9
310.08331	1.4
313.10828	1.4
323.07791	1.7
327.12360	1.2
343.11844	1.0
402.02069	0.9
504.60452	0.9
527.14813	1.1
587.15881	5.6
701.26471	1.2
731.26984	1.2
749.19159	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	751.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29930	0.1
57.96541	0.1
59.01372	2.3
64.76641	0.1
69.97293	0.1
71.01376	1.1
73.02931	0.6
75.85870	0.2
78.03478	0.2
83.01374	0.2
85.02928	0.8
89.02429	1.1
97.02939	0.3
99.00863	0.2
101.02412	2.0
101.63857	0.1
103.01162	0.2
106.02969	2.2
111.00854	0.2
111.07466	0.2
111.80943	0.2
113.02442	1.2
119.03440	0.2
125.02414	1.2
131.03543	0.2
132.04460	0.2
133.01685	0.2
134.02466	6.9
134.06126	0.3
137.02412	0.2
143.03484	0.8
148.04056	0.2
149.18915	0.2
150.05585	4.1
159.03220	0.6
160.04021	13.8
161.01166	2.4
161.04530	0.6
162.01945	100.0
174.05775	0.2
176.03487	0.3
178.05095	1.5
181.02789	0.2
186.01958	0.3
202.05186	0.2
203.05807	0.2
204.03000	3.4
222.04063	7.9
245.06693	0.4
246.04036	0.2
257.58713	0.2
263.07635	0.3
264.05066	0.3
288.04984	0.2
294.06094	0.7
306.06110	0.2
324.07196	0.7
348.07144	1.0
366.08121	2.2
382.74249	0.2
384.09308	1.4
426.10129	0.3
468.11185	0.2
528.13531	1.6
546.14355	0.3
588.15662	5.6
589.13574	0.6
691.16223	0.8
733.17468	0.3
751.18347	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	751.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.7
74.06568	0.4
78.53695	0.4
93.03459	0.4
109.02876	0.5
121.02924	3.0
122.03716	3.5
123.04511	0.9
132.02100	0.6
133.02940	4.3
134.03688	1.0
136.01678	0.5
138.21071	0.4
145.02930	0.9
146.03664	1.8
147.04486	2.3
149.02405	8.1
149.06032	3.2
150.03200	57.6
151.03981	2.9
160.05258	3.0
161.02496	0.5
161.06036	2.2
162.03201	1.0
163.03996	1.9
164.04767	6.7
165.05544	100.0
166.06201	0.4
173.06134	0.5
175.07608	3.4
176.04720	1.0
177.05524	1.9
178.06313	3.3
179.03416	0.6
179.07115	1.7
180.04274	7.0
192.07893	2.7
193.08641	0.9
195.06604	21.6
285.11203	0.9
298.08392	0.8
313.10782	0.7
315.12286	0.8
319.39355	0.5
323.12918	0.5
327.75443	0.5
329.13998	8.2
343.11942	0.8
363.57584	0.5
431.15164	0.4
432.15475	0.5
447.18170	0.9
477.19159	7.4
507.20343	5.0
525.21259	4.1
537.21594	0.9
555.22363	4.9
591.22064	0.6
609.23749	3.1
655.25537	1.9
685.26208	3.0
703.27521	12.9
715.27454	3.0
721.28802	6.1
733.28516	11.1
751.29645	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	753.2242
Annotation	3,6'-Disinapoyl sucrose
Peak:m/z	Relative Intensity
52.38285	0.2
59.01377	1.4
71.01367	1.1
75.00871	3.3
87.00880	0.6
89.02415	1.7
91.01831	0.3
101.02430	1.1
113.02425	1.2
113.79194	0.3
119.01405	0.4
119.03423	0.3
147.00815	0.5
147.04526	0.5
149.02412	3.7
164.04788	13.0
171.57545	0.3
175.00322	8.4
176.01204	0.5
179.07108	2.5
190.02711	83.4
191.03426	1.5
191.80385	0.3
205.05051	100.0
206.05698	1.1
208.03758	1.8
209.04526	0.4
221.08157	2.3
223.06104	14.7
237.07668	1.0
265.07126	4.4
295.08258	0.5
325.09238	1.2
352.07819	0.6
362.75891	0.3
367.10211	2.6
385.11554	0.6
529.15625	4.5
547.16766	13.7
699.16888	0.3
753.22424	64.0
753.51093	1.4
783.77216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03414	1.3
58.23232	1.3
59.01369	9.8
71.01376	13.1
75.00854	6.7
77.52313	1.4
79.86623	1.3
84.96217	1.4
85.02954	6.4
88.04014	9.9
89.02422	2.8
95.01390	2.6
99.00820	2.4
101.02462	2.5
113.02417	15.6
122.02457	33.5
146.08202	45.5
161.04424	1.5
162.01945	7.0
175.51450	1.5
190.98279	1.5
249.06142	47.9
276.29425	1.5
280.40302	1.7
308.13568	6.6
314.66302	1.5
363.55716	1.4
372.09305	64.0
380.15582	100.0
546.21478	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	753.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07237	0.9
88.99369	0.8
101.02421	0.9
121.02899	1.2
122.03732	5.1
133.02925	4.6
134.03734	2.1
145.02895	2.0
146.03696	1.3
147.04498	1.2
149.02460	7.9
149.06064	9.2
150.03206	61.7
151.03981	1.4
156.36682	1.3
161.06015	1.3
162.03221	1.5
164.04831	7.2
165.05553	100.0
175.03998	3.8
179.07195	3.4
180.04271	7.2
181.05133	1.2
195.06621	21.1
205.05055	1.9
206.06027	1.0
223.06134	2.2
247.12193	0.9
329.13922	1.3
330.14468	1.0
334.14917	1.0
346.14209	3.8
347.15002	4.1
355.55832	1.0
361.16522	14.7
509.21860	11.9
539.22803	2.0
557.23676	11.1
611.25299	3.8
657.26770	4.3
687.28217	4.1
693.19220	1.2
705.29077	17.7
717.29150	1.7
735.30756	12.9
753.19519	1.7
753.31433	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	753.514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44100	0.6
56.69972	0.8
63.06630	0.7
63.37203	0.8
72.99300	1.7
75.00871	100.0
76.08144	0.7
84.83261	0.7
85.18539	0.7
93.84333	0.8
99.66908	0.8
130.08832	1.1
174.00996	1.0
190.02754	4.1
205.05077	6.3
225.16161	1.2
262.62378	1.0
625.94641	1.2
675.47729	1.0
677.49762	12.4
693.49237	5.4
753.23358	3.4
753.51349	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	755.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06582	2.7
76.46964	3.0
78.95902	5.1
98.06384	3.1
117.03453	20.3
118.04230	16.2
119.05009	51.0
121.02965	23.5
121.20303	3.1
121.28758	3.0
123.04536	6.1
132.22150	3.1
134.03738	59.3
136.01669	4.3
137.02426	3.4
145.02956	16.3
147.04510	4.6
153.05574	5.7
162.03229	21.6
163.04015	64.1
175.04010	7.2
178.02742	4.4
192.04269	17.4
193.05077	48.9
195.40195	2.8
198.61208	3.2
223.06151	3.8
369.09653	6.5
372.00687	4.8
502.74814	3.2
561.17487	14.9
631.20679	3.8
695.26227	7.1
710.11658	3.7
719.63959	4.3
730.58185	3.6
755.23462	100.0
755.37103	5.6
755.42505	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	755.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01378	7.8
66.09332	0.6
71.01369	5.5
72.53375	0.5
72.99310	1.0
75.00860	9.3
85.02930	10.4
87.00877	3.4
87.04502	69.9
89.02444	2.6
95.01381	3.1
99.00874	6.5
101.02460	0.7
103.00353	1.0
113.02432	16.6
115.00348	1.1
117.01909	2.7
129.01929	1.4
161.01173	0.7
161.04637	1.1
175.02480	2.6
179.05800	1.0
187.73610	0.7
223.08481	0.7
231.05109	1.5
249.06140	13.1
297.20975	0.7
319.10217	0.9
328.94485	0.6
337.11417	100.0
389.50729	0.7
474.12521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17479	0.6
59.01386	31.4
62.47361	0.6
71.01379	26.4
73.02966	1.0
80.30762	0.8
85.02940	3.7
87.00874	1.2
89.01883	1.8
89.02441	50.7
101.02441	21.3
104.34161	0.7
112.00642	0.9
113.02443	17.4
119.03487	17.6
131.03502	1.4
141.65776	0.7
143.03517	1.8
149.04585	0.8
150.13260	0.7
161.04536	4.0
179.05598	6.7
197.77875	0.7
251.11287	1.8
315.73209	0.8
341.10916	100.0
343.27563	0.8
413.16769	13.2
468.95776	0.9
591.78381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29645	0.4
61.98816	0.9
68.83145	0.4
75.64157	0.4
92.77662	0.4
110.84059	0.4
117.03449	6.0
119.05002	35.5
121.02927	1.9
123.00938	0.4
132.02145	0.5
133.02927	4.2
134.03719	25.1
135.03577	0.7
135.04517	12.1
137.02393	2.0
138.03203	0.5
145.02933	20.1
149.06046	6.4
151.00363	0.7
152.01096	2.6
160.01648	7.9
161.02411	8.3
162.03185	0.5
163.03992	27.5
166.02687	8.2
167.03508	3.8
173.46492	0.4
175.03995	11.4
177.01869	1.0
177.05551	2.1
178.02704	8.0
179.03499	14.9
181.05052	6.6
193.05035	20.4
207.06459	0.5
218.05792	0.5
227.88818	0.4
233.08051	0.4
284.85855	0.5
302.07846	0.7
317.10336	0.6
369.09827	0.6
430.91202	0.4
478.87296	0.5
481.64456	0.5
512.91602	0.4
563.18549	0.6
715.23584	0.5
757.24969	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	757.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59340	0.9
59.01362	1.2
107.91022	0.9
117.03440	6.4
119.05007	63.4
121.02933	1.2
123.04541	1.3
126.78335	1.1
132.05603	1.0
133.03044	1.5
134.03725	48.4
135.04512	16.5
137.02432	1.7
145.02950	32.6
147.17378	1.1
149.06068	13.4
157.41747	1.2
160.01691	8.1
161.02365	1.3
162.03229	1.1
163.03995	57.4
175.03944	10.5
177.05566	2.4
178.02727	21.9
179.03467	11.6
193.05070	45.7
214.01619	1.0
218.62581	1.1
248.46092	1.1
299.05548	1.1
329.45480	1.1
339.08676	5.6
351.08731	1.9
354.11157	4.1
496.12387	1.1
515.13324	1.9
545.18298	28.6
575.19324	1.4
683.18268	1.3
739.24078	12.2
757.25049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44168	0.2
92.65765	0.3
93.03481	0.5
97.34834	0.2
111.51513	0.3
115.33986	0.3
117.03453	4.3
118.04233	1.2
119.05012	100.0
121.02950	2.7
132.02116	0.3
133.02933	1.8
134.03731	51.0
135.04501	1.6
136.01602	0.4
137.02443	3.3
139.04016	1.1
145.02946	12.6
147.04512	0.5
148.05318	0.5
149.06070	18.1
153.05531	0.4
160.01636	6.0
161.02451	0.3
162.03217	1.1
163.04002	66.2
166.02681	0.4
175.03998	13.5
177.01888	1.2
177.05562	2.5
178.02704	25.6
179.03496	2.1
181.05070	0.4
192.04271	4.0
193.05052	55.9
194.05775	0.6
195.06621	0.6
205.72813	0.3
207.06618	1.6
371.11377	1.0
401.12518	1.5
432.71790	0.3
581.20544	2.5
611.21411	1.7
709.35999	0.4
711.99597	0.3
757.25024	78.3
758.24738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10478	0.3
57.03450	0.7
59.01380	6.3
64.25124	0.3
67.01884	0.5
68.99799	0.3
71.01377	4.9
72.99317	0.4
73.02942	0.4
75.00875	8.9
83.01386	0.5
85.02949	9.9
87.00874	2.5
89.02438	2.6
92.18451	0.4
93.03440	1.5
95.01395	3.8
97.02943	0.5
99.00873	4.6
101.02410	0.4
102.49658	0.4
103.00375	1.7
109.02942	0.4
111.00859	0.6
113.02440	14.4
115.00410	0.9
115.04028	0.4
117.01919	2.3
121.02947	54.8
129.01994	0.8
137.02426	0.4
147.43903	0.4
155.23402	0.4
162.01967	1.6
175.02522	1.5
189.04076	0.7
211.64253	0.4
231.05138	4.0
249.06172	34.4
337.90469	0.4
371.09860	100.0
520.79828	0.5
661.22711	0.4
757.18170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	16.7
59.01382	20.7
71.01365	9.3
73.02922	2.2
80.91186	2.1
83.01375	100.0
83.01859	4.2
85.02901	3.8
88.88793	2.4
89.02421	2.6
97.46955	2.5
99.04491	13.0
101.02423	18.6
113.02439	4.4
123.84080	2.5
125.02416	8.7
129.35147	1.9
161.04573	19.5
165.45042	2.3
206.68150	2.7
209.93631	2.0
231.08954	2.1
233.48355	2.5
235.11838	13.5
251.11389	17.9
312.10666	2.4
319.13934	23.0
326.53690	2.2
335.13443	27.6
361.14902	3.6
377.14560	4.8
401.34863	2.3
431.03293	2.6
577.11938	3.6
613.26892	3.6
757.20319	9.5
757.31598	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	759.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21916	1.5
56.35025	1.6
56.36856	1.4
57.90613	2.0
67.00900	1.7
71.54594	1.5
71.55182	1.4
74.34868	1.6
75.93811	1.6
89.03421	1.5
102.15903	1.8
103.56812	1.7
117.03458	17.9
118.04234	10.7
119.05021	85.3
119.91959	1.7
121.02938	20.6
123.04521	3.9
134.03685	2.2
145.02956	41.3
150.03195	4.2
151.04048	2.2
161.06085	11.6
162.03166	16.2
163.04007	100.0
165.05582	7.4
166.02740	3.6
179.03488	3.0
181.05049	13.1
193.05074	2.9
199.84898	2.0
205.05136	2.7
222.47751	1.7
223.06213	2.0
223.92447	1.7
302.07849	7.5
369.09875	10.4
431.13574	2.2
595.18170	18.7
606.57867	2.0
613.19495	8.0
726.22815	3.4
759.23505	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	759.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34267	3.2
63.65059	2.9
64.33213	2.8
68.70494	3.3
89.08195	3.5
117.03445	6.3
119.05013	32.6
121.02924	5.8
122.92419	3.3
123.04494	3.5
126.17033	3.3
134.03741	54.8
144.24014	3.5
145.02995	7.0
148.01198	3.0
148.05301	3.0
149.02455	6.5
149.06107	7.1
150.03192	49.5
160.01700	14.5
163.04034	33.7
165.05594	64.6
175.04063	25.7
178.02698	15.2
180.04364	4.3
193.05089	85.1
195.06657	7.6
243.10973	3.5
271.13358	3.9
323.09384	7.4
339.08759	44.0
354.11142	7.2
369.13412	5.1
383.69266	3.5
651.05005	4.4
759.26385	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	759.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.8
75.56712	0.8
82.02962	1.9
89.02429	0.9
98.11546	0.9
101.02495	0.9
112.04055	1.8
126.09261	0.9
134.03722	4.0
137.06163	0.8
141.10310	1.5
152.25937	0.9
160.01683	1.7
162.01956	1.9
175.03993	12.8
179.66978	0.8
193.05063	9.0
197.12967	47.2
235.06062	3.8
241.11928	100.0
265.07315	1.1
368.76602	0.9
478.29044	1.0
517.15656	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	761.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36236	1.2
59.01368	3.0
69.75941	1.3
71.01369	27.2
71.05012	2.4
73.48350	1.3
88.04018	83.7
89.02424	8.3
95.83527	1.7
99.70010	1.6
107.30772	1.6
113.02402	3.0
119.03447	2.2
146.08212	56.0
151.42076	1.5
170.13951	1.4
179.05634	3.1
211.53392	1.7
218.10310	100.0
234.29301	1.5
247.72285	1.9
341.10965	22.2
380.15640	6.7
395.11661	2.9
495.81891	1.8
542.20837	54.3
587.64075	1.7
761.31818	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	761.542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01379	22.8
68.45956	0.1
71.01373	4.7
89.02449	0.2
89.97246	0.1
92.19057	0.1
93.16385	0.1
95.56195	0.1
97.85895	0.1
101.02418	0.2
113.02444	0.2
116.33379	0.1
126.31880	0.1
169.15932	0.1
197.19106	16.7
209.19139	1.8
225.22209	2.4
235.08046	0.1
241.18124	0.2
251.20143	1.9
253.09279	1.3
255.23291	8.2
269.21225	100.0
273.10687	0.1
491.32239	1.5
542.83795	0.1
701.22504	0.1
761.54907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26111	0.7
58.12498	0.7
63.34821	0.7
63.64321	0.7
66.80240	0.7
74.57714	0.7
80.58873	0.8
82.95405	12.6
83.02499	53.1
84.00882	11.7
84.02018	8.9
84.02827	4.3
88.85305	0.8
92.18910	1.0
95.04974	1.0
95.29213	0.8
112.07674	9.5
113.06066	1.7
115.97648	0.7
118.59418	0.7
125.87594	0.8
129.10320	6.3
130.08711	15.7
141.30943	0.8
143.62636	0.7
207.14966	5.6
208.13469	0.9
224.17712	4.3
225.16080	25.5
226.11960	0.8
242.18782	1.1
320.23364	1.9
337.26123	5.4
338.24353	6.4
352.31253	0.8
362.64944	0.8
407.40604	0.8
433.31720	3.0
450.34518	2.9
451.32947	1.0
490.28598	1.1
520.33734	0.9
659.48322	5.3
677.49689	100.0
724.27661	0.9
762.54205	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	763.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66776	0.5
58.88340	0.6
59.01379	1.1
87.00811	0.6
91.04953	0.6
116.92817	0.8
121.02906	0.7
133.02969	14.3
134.03690	3.9
135.04474	3.2
137.02303	0.7
149.06055	1.5
150.03171	3.7
151.03969	0.8
160.01616	3.6
161.02443	100.0
165.05545	5.3
175.03993	11.1
175.07527	0.9
179.03494	3.5
191.07169	0.6
193.05106	10.4
195.06592	1.2
224.58443	0.6
282.08774	1.5
297.11179	0.7
299.01920	0.9
451.13275	0.7
601.18140	0.8
715.24597	0.8
763.20868	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	763.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19913	0.6
64.34383	0.5
64.34869	0.5
91.25224	0.5
117.03452	8.0
118.04238	0.6
119.05015	57.2
121.02936	0.9
130.95380	0.6
138.03273	0.8
145.02951	60.4
152.01120	1.0
162.03204	0.6
163.04010	78.4
166.02681	6.2
167.03502	4.2
177.05550	3.5
181.05017	8.1
195.06589	0.9
208.68420	0.6
237.26381	0.7
302.07867	0.7
532.80939	0.7
635.60297	0.6
727.24011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.5
65.58876	0.7
70.95432	0.7
85.46720	0.7
99.04492	1.5
99.08146	1.8
103.00365	8.9
115.04025	0.9
116.69743	0.8
117.05532	1.8
130.08691	1.7
143.07083	4.2
149.58757	0.7
161.08179	100.0
162.01910	1.1
172.09782	3.6
203.09245	25.4
228.48050	0.8
247.08147	5.1
287.99268	0.7
313.01312	0.8
365.48563	0.8
409.03809	0.9
473.93805	1.0
637.72107	0.8
738.23004	0.9
765.24121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	10.8
62.28856	0.4
66.35706	0.6
87.00867	4.1
88.00406	4.9
88.98806	100.0
89.02446	31.1
117.38231	0.5
125.83552	0.5
126.31052	0.5
144.00157	0.5
150.03230	2.4
150.73630	0.5
152.56725	0.6
165.05595	4.1
165.06859	0.5
179.07198	0.5
180.59157	0.6
195.06711	2.6
218.08331	0.5
225.16090	1.1
268.95087	0.6
677.50092	7.5
719.26526	1.0
767.51343	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	767.526
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99298	1.4
63.99166	0.5
69.06170	0.7
70.55628	0.5
87.00866	1.5
88.00407	1.1
88.01237	0.6
88.98787	22.9
89.02428	100.0
150.03175	3.8
164.04829	0.8
165.05493	6.8
175.04121	0.7
179.07144	2.3
195.06567	2.7
225.16185	2.6
677.49738	11.2
707.45911	0.7
767.29626	1.3
767.52753	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	769.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81342	1.5
74.01612	1.6
77.24034	1.4
82.27177	1.6
127.95083	1.7
149.02393	3.7
150.03166	2.5
161.96114	1.8
164.04773	13.2
165.05475	2.5
179.07138	1.7
185.32193	1.9
190.02754	2.0
205.05060	3.5
223.06088	7.8
268.00989	3.3
268.03754	78.6
269.04538	100.0
283.05930	3.0
361.46432	2.1
545.13037	53.0
563.13446	2.2
590.49042	2.3
612.72223	2.1
769.19806	84.3
769.33722	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	769.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.4
60.54027	1.0
71.01385	1.3
89.02444	2.7
94.76452	1.2
100.33497	1.1
101.02436	1.2
102.78133	1.2
119.93524	1.3
134.03729	8.9
137.02296	1.3
149.06039	5.0
150.03189	4.8
160.01640	1.7
163.05206	1.2
164.04787	1.4
165.05551	12.6
175.03986	11.8
176.04784	5.4
178.02718	1.5
178.37552	1.4
191.07153	17.6
193.05058	19.6
195.06660	3.0
199.91110	1.2
207.06599	2.3
228.23822	1.2
235.06166	15.8
246.08545	1.3
263.86374	1.3
269.04465	9.0
281.04465	5.0
282.05328	2.6
283.05984	1.6
293.04587	78.8
311.05542	12.0
323.05634	9.1
327.63754	1.4
335.05542	7.5
341.06647	9.0
346.04086	1.4
353.06479	2.0
385.07660	1.4
413.08832	15.0
593.14929	5.0
637.17615	1.6
721.29108	2.5
769.19824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
74.86761	2.3
81.96896	2.2
82.61040	2.2
90.74908	2.8
133.12042	2.3
134.03697	38.0
149.06093	3.9
160.01630	4.6
165.05463	2.7
175.03969	5.0
177.01878	2.1
181.33340	2.2
192.67281	2.3
193.05048	16.6
196.20322	2.5
198.23022	2.3
236.63696	2.2
255.02960	4.7
268.03799	2.4
283.02402	46.3
284.03238	42.9
285.04181	5.5
297.04007	17.9
298.04785	56.4
299.05597	74.4
311.65646	2.7
411.56964	2.8
560.11438	4.9
575.14038	100.0
615.12396	2.5
769.19751	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	769.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92781	0.2
59.01389	3.1
71.01379	2.0
75.46370	0.2
85.02951	0.2
89.02453	1.2
89.91163	0.2
92.18438	0.6
101.02432	1.6
113.02471	1.1
117.03513	1.0
121.11880	0.2
123.04576	0.3
134.03741	10.6
135.04544	0.3
147.04567	0.9
148.05318	1.7
149.06087	3.9
151.04045	0.8
155.36803	0.2
158.03754	0.9
160.01642	1.6
161.02432	0.3
163.04092	0.2
163.07663	0.3
173.06087	0.4
175.00391	0.9
175.04019	6.6
176.04791	9.6
177.01941	0.5
177.05554	0.3
178.02711	1.4
179.03513	0.3
189.05632	0.3
191.07159	19.4
192.04286	1.3
193.05072	19.6
207.06633	5.2
210.82878	0.2
217.05074	0.8
220.03775	2.0
222.54037	0.2
233.04509	0.2
235.06134	17.7
265.07257	1.1
269.04596	5.8
279.06665	0.3
281.04517	3.6
282.05380	4.8
283.06082	1.9
291.06625	0.7
293.04599	78.9
295.05679	2.0
295.08813	0.4
306.05203	0.3
307.06274	0.8
308.03394	0.3
309.04111	0.8
309.07394	0.3
310.04855	0.4
311.05652	10.6
314.04391	1.5
323.05634	9.5
325.07190	1.2
335.05649	5.6
337.07129	0.3
341.06699	7.6
353.06705	2.3
355.08551	0.9
365.06534	0.5
377.06833	0.4
413.08832	18.0
448.26541	0.2
473.10843	0.8
499.10446	0.2
593.15314	5.9
649.16046	0.9
723.07013	0.2
769.19922	100.0
770.20367	0.4
772.10712	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	769.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69814	2.8
61.15866	3.3
74.43511	3.7
75.00878	3.9
82.58993	4.3
123.04559	5.9
125.21066	3.9
134.03728	100.0
149.06085	20.9
158.03728	7.6
160.01645	6.4
175.03963	36.4
193.05064	99.6
194.58142	4.1
202.02682	5.3
217.05086	9.6
229.05055	15.6
253.08543	5.1
281.08118	5.4
293.08185	21.6
294.05060	5.6
307.09717	5.0
309.07761	49.8
323.09122	5.0
324.10236	7.3
339.12253	7.8
353.06570	7.0
368.08975	4.9
383.11432	89.6
488.98441	5.2
588.08527	5.0
593.20270	8.3
769.25342	74.9
769.38141	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	773.5784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.32901	0.6
67.25179	0.5
71.01372	0.8
95.35309	0.6
101.02426	1.1
102.34203	0.6
113.02451	0.6
130.35010	0.5
136.97406	0.6
159.81770	0.6
193.85036	0.6
213.73109	0.6
240.25833	0.6
253.09270	8.0
253.21724	100.0
279.23343	0.7
283.26425	54.4
428.26205	0.6
519.35425	10.6
560.03711	0.7
613.47668	0.7
687.58472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
78.11708	0.9
78.95896	46.5
96.95992	50.2
96.96944	100.0
121.42400	0.8
138.69267	0.8
160.69475	0.8
169.19879	0.8
456.24701	0.9
553.96704	0.9
775.47388	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	777.2248
Annotation	2',6'-Diacetyl-3,6-diferuloylsucrose
Peak:m/z	Relative Intensity
59.01374	2.5
61.65622	0.5
61.83340	0.4
70.02471	0.5
71.01391	0.5
73.02952	0.5
101.02421	0.8
121.02982	0.5
132.02142	4.3
134.03722	9.7
137.02429	0.5
149.06044	2.7
160.01643	58.1
161.02429	1.0
163.03958	0.5
164.04593	0.5
165.05449	0.5
175.03987	100.0
178.02713	0.8
179.03587	0.7
193.05037	18.6
235.06198	0.5
319.08365	0.6
337.09329	0.8
513.14081	1.0
583.16418	0.9
601.17896	6.4
611.62646	0.5
717.20807	3.6
735.21429	1.2
777.22388	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	781.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43995	0.2
59.01376	1.1
60.68448	0.2
71.01374	1.0
72.54765	0.2
78.95898	21.2
89.02448	2.0
96.96062	5.1
96.96951	100.0
101.02438	0.9
113.02453	0.6
119.03473	1.2
179.05603	0.4
341.10864	3.1
358.66922	0.2
423.54187	0.2
439.08591	49.7
497.77753	0.3
721.17236	0.9
806.62018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1933
Annotation	CHEBI:75517
Peak:m/z	Relative Intensity
59.01370	2.7
62.16232	1.1
71.01358	2.4
80.38293	1.3
92.31042	1.1
100.37973	1.4
122.02451	5.9
134.03725	5.5
135.01187	1.3
144.56183	1.3
149.06076	2.0
162.01945	2.2
175.03912	5.5
176.04680	3.0
191.07117	8.6
193.05069	12.6
210.74440	1.6
235.06145	10.1
284.03354	2.1
285.04065	9.8
297.04068	9.7
298.04877	18.6
299.05505	1.5
309.04028	53.9
311.05618	3.0
323.05728	2.0
327.05118	20.0
330.03824	1.8
338.04214	1.7
339.05054	12.0
351.04965	7.5
357.06250	14.3
369.06174	4.9
429.07864	10.5
452.93149	1.4
460.81720	1.5
489.10226	2.2
515.54663	1.5
785.19220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98676	1.0
56.04642	0.9
59.01377	8.0
66.69234	0.9
71.01367	6.5
73.22863	0.9
75.00874	7.7
81.16589	0.8
85.02929	8.5
86.02505	0.9
87.00840	1.5
87.64966	1.1
89.02405	1.3
95.01389	2.5
99.00880	5.6
113.02441	14.2
115.03990	1.0
117.01926	1.5
118.13718	1.0
122.02462	52.0
122.03345	1.9
137.31689	1.0
157.01387	1.2
189.04085	1.7
231.05049	4.4
249.06145	57.5
372.09357	100.0
629.41516	1.1
682.27844	1.2
762.97681	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	787.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38489	1.2
59.01375	24.8
96.84394	1.8
108.57010	1.4
115.02479	2.6
159.01491	100.0
160.01614	11.7
161.01172	14.0
201.02571	55.7
202.02811	5.7
203.02321	7.1
217.00145	4.6
237.69859	1.7
259.01563	3.7
301.02689	86.1
302.02881	22.0
303.02487	34.7
343.03635	7.2
344.03815	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	787.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
72.15249	0.9
102.30475	0.9
119.05005	1.7
130.74252	1.0
133.02937	4.9
134.03726	35.2
135.04514	16.1
137.02362	1.2
145.02977	1.3
149.06047	6.2
152.01218	1.5
160.01643	18.0
161.02426	12.1
163.04022	4.6
166.02716	7.2
167.03548	2.2
167.21680	1.0
169.27794	1.2
175.03993	17.5
178.02661	8.8
179.03491	16.8
181.05040	4.1
193.05075	34.6
207.06644	1.4
725.55756	1.2
787.26099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56398	1.6
74.03761	1.7
90.12678	1.5
92.18970	2.0
94.23199	1.3
134.03740	94.3
137.02481	2.1
146.43571	1.4
149.06075	30.6
160.01643	3.0
175.04007	10.0
178.02730	50.2
192.04352	2.1
193.05070	100.0
207.06696	1.9
401.12024	2.2
607.48395	1.5
611.21271	1.9
675.61121	1.8
749.46997	1.7
787.26147	52.1
787.38458	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	787.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60353	0.2
59.01392	1.9
61.78564	0.2
64.26289	0.2
66.00992	0.2
71.01389	0.2
82.60770	0.2
83.05038	0.2
87.69173	0.2
89.02446	0.5
101.02441	1.0
102.99544	0.3
117.31876	0.2
119.03477	0.3
125.09689	0.5
130.36311	0.2
139.11269	0.3
141.12845	0.4
155.10823	0.4
155.14372	0.3
161.04614	0.5
171.10275	26.7
172.74803	0.2
179.05597	0.2
182.36826	0.2
183.10269	1.6
195.13916	0.2
195.71822	0.3
235.08238	1.2
236.19041	0.3
251.23802	0.3
253.09267	4.0
255.23306	33.3
259.20697	0.4
277.18594	0.5
277.21741	39.7
295.22806	100.0
364.98911	0.3
378.40808	0.2
420.34799	0.3
491.32413	6.7
667.08508	0.3
705.40601	0.3
726.86987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
67.35530	1.2
78.95913	7.4
85.29351	1.2
113.09725	14.9
124.13177	1.2
139.11311	1.7
145.54132	1.1
150.47517	1.3
152.99583	1.3
167.10817	2.3
168.04298	1.7
183.13879	2.1
195.13995	2.4
218.20880	1.2
224.06935	7.5
249.22397	4.0
255.23315	81.9
279.23264	2.0
281.24863	59.4
281.43085	1.4
293.21259	100.0
449.26801	27.9
480.31030	66.3
673.55518	1.2
680.66083	1.3
788.54163	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	790.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95457	1.0
57.98868	1.1
61.98815	1.5
70.39831	1.3
72.41316	1.4
78.95892	2.2
86.91293	1.2
95.15894	1.2
97.06566	8.4
110.73021	1.3
114.11015	1.3
126.85575	1.4
152.99557	2.2
155.10806	1.7
168.04173	1.3
224.06892	3.3
225.22244	8.2
251.20192	8.1
251.68080	1.5
255.23372	2.9
269.21213	100.0
279.23196	2.1
280.23801	2.0
281.24838	64.3
297.24359	30.9
298.24680	21.2
506.32504	56.0
766.96326	2.3
790.55743	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	790.573
Annotation	CHEBI:86248
Peak:m/z	Relative Intensity
80.91901	0.3
86.32598	0.4
95.05013	2.2
112.07679	12.5
112.08475	0.5
113.06071	3.9
129.10333	9.2
130.08723	17.0
170.28355	0.3
197.16498	0.6
201.79880	0.3
207.15001	7.5
208.13437	2.3
224.17740	5.1
225.16081	29.4
242.18713	0.7
320.23459	4.6
337.26089	6.4
338.24521	9.7
355.27249	0.6
369.80893	0.4
433.31982	4.5
450.34497	4.5
451.33044	3.9
546.40198	2.9
563.42676	2.0
564.41742	1.7
659.48694	0.5
676.51611	1.3
772.57147	3.9
790.58148	100.0
791.59210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88512	1.3
69.57319	1.2
69.67232	1.1
74.67594	1.1
109.83193	1.5
133.02966	8.8
135.04567	7.3
161.02452	100.0
165.05507	1.7
179.03506	17.4
584.09375	1.6
629.17535	2.2
791.20282	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	791.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24883	0.4
59.01379	0.6
63.39767	0.4
64.64074	0.4
67.98709	0.4
70.22321	0.4
82.99657	0.4
101.02451	0.9
109.02983	0.4
123.14866	0.5
133.02963	10.5
133.03905	0.8
135.04527	13.1
135.05498	0.7
161.02446	100.0
177.05573	0.7
179.03511	32.7
203.03534	0.5
207.06616	0.5
213.81578	0.5
221.04613	0.8
221.62738	0.4
223.05901	0.5
233.04568	0.8
251.05666	2.0
323.07654	2.1
537.69366	0.5
629.17487	2.9
773.81390	0.5
791.20422	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	791.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
56.02362	0.3
57.03448	3.1
59.01379	23.9
65.07501	0.4
69.03465	0.5
71.01373	29.0
73.02934	11.3
75.00861	5.9
77.14570	0.4
81.03461	0.5
83.01379	12.7
85.02940	16.5
87.00847	2.3
87.01368	0.4
87.04490	0.4
89.02437	16.1
89.06076	2.0
92.18443	0.4
95.01369	2.0
97.02938	2.1
99.00867	4.3
99.04494	2.1
101.02431	50.3
106.86972	0.4
113.02430	21.0
117.74966	0.4
119.03482	7.3
120.15347	0.4
124.01631	0.9
125.02430	8.8
129.01901	0.6
131.03494	0.6
132.97801	0.4
143.03474	5.2
146.91678	0.4
149.04451	0.4
159.02989	5.0
161.04543	30.6
162.01990	0.5
179.05589	2.5
243.17278	0.7
251.11351	56.3
293.12473	0.7
305.36194	0.4
335.13419	14.1
351.67896	0.4
395.15527	3.8
396.76443	0.4
413.16635	100.0
455.17740	15.2
495.20639	2.0
497.18765	51.0
521.18817	0.9
539.19806	13.1
791.30939	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	791.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16948	0.3
70.96656	0.3
106.93462	0.3
108.34953	0.3
141.12828	0.4
156.22198	0.4
253.09253	0.7
255.23306	6.9
281.25000	1.5
297.24338	2.4
298.24426	0.6
299.20749	12.6
299.25916	100.0
332.16400	0.4
375.90604	0.4
378.89700	0.4
491.32486	1.4
753.97382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75821	2.6
58.29488	2.7
60.57779	2.2
66.36573	2.5
68.23073	2.4
79.25940	2.8
89.51598	3.5
175.09048	3.6
183.13913	36.7
207.37491	2.9
255.23283	49.4
279.23248	6.2
297.24359	100.0
480.30801	32.1
792.58167	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	797.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50282	0.3
59.01384	0.5
61.81602	0.4
65.02602	0.3
69.63281	0.3
71.01373	7.8
74.87357	0.3
95.77290	0.4
108.63822	0.4
115.00351	5.0
119.05009	23.0
144.56096	0.4
147.13449	0.4
160.04070	0.4
163.03996	100.0
176.01125	0.8
191.03481	7.2
279.01990	0.8
279.05099	21.7
477.01508	0.4
662.10181	0.4
761.49469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2092
Annotation	Isoscoparin 2'-(6-(E)-ferulylglucoside)
Peak:m/z	Relative Intensity
56.50908	1.5
57.82835	1.5
59.01367	3.3
59.81467	1.5
60.22648	2.0
63.66832	1.4
70.60544	1.7
71.01365	6.5
71.45146	1.4
78.50288	1.6
86.90074	1.6
101.02444	2.3
134.03746	10.5
175.03990	7.0
176.04770	10.1
191.07144	22.1
193.05084	19.5
207.06544	6.5
217.34233	1.8
235.06105	17.5
264.51343	2.0
298.04858	3.7
299.05676	6.8
308.03287	30.1
309.04114	2.2
312.06274	2.5
323.05649	44.0
341.06625	8.5
353.06659	6.9
365.06769	2.6
371.07547	3.1
392.95999	1.8
428.07565	2.1
443.09720	14.6
595.87103	2.2
610.01715	2.6
623.15979	4.1
727.52893	2.2
799.20947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02444	2.1
91.32635	1.9
92.96083	1.8
98.28341	2.0
111.44830	2.1
134.03732	46.8
149.06113	9.0
160.01671	3.1
166.36362	2.0
175.03923	7.6
193.04996	22.5
238.33107	2.2
246.29851	2.6
285.04099	3.8
288.47495	2.3
299.01971	12.1
300.02609	2.7
313.03537	72.6
314.04370	40.0
315.05084	10.9
327.05139	9.4
328.05826	32.5
329.06671	39.0
356.85037	2.2
443.67026	2.4
453.37357	2.4
475.08524	2.9
575.10266	10.3
590.12085	4.3
605.15106	100.0
623.16821	3.0
718.32794	2.4
799.20801	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
69.05061	1.2
83.01367	1.3
98.05033	1.1
101.45857	1.1
102.08670	1.1
116.37013	1.2
147.04451	2.0
149.02438	11.9
150.03206	1.9
152.46875	1.2
162.01978	1.3
162.22009	1.1
164.04765	23.0
165.05472	2.2
166.59610	1.3
180.50255	1.1
190.02711	8.3
205.05057	4.5
205.48351	1.5
209.04509	1.9
216.66872	1.3
223.06137	10.8
247.51385	1.2
255.02969	5.9
269.04517	2.3
283.02481	51.1
284.03259	34.2
285.03964	7.4
297.04114	15.9
298.04834	47.4
299.02155	2.3
299.05606	70.2
312.06369	1.5
313.06882	2.1
322.52957	1.3
521.97168	1.4
560.11926	9.3
575.14081	100.0
593.15704	2.1
659.29138	1.7
799.20813	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	804.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
60.05391	1.0
62.24532	1.0
63.37035	0.9
78.95914	7.3
82.40030	1.0
152.99562	1.4
165.10605	1.3
168.04271	4.5
171.10263	25.3
224.06927	8.8
269.24869	100.0
277.21722	30.9
278.67099	1.3
295.22778	56.3
296.49548	1.3
359.75522	1.1
381.60150	1.3
472.87225	1.1
494.32574	90.0
692.51514	1.2
797.79358	1.3
804.58197	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	805.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
107.27283	1.4
132.06482	1.5
133.02960	16.2
135.04518	2.0
161.02425	100.0
167.07410	1.8
175.04001	8.6
179.03458	2.3
193.05009	1.9
217.72009	1.6
217.94183	1.6
229.54344	1.6
273.40219	1.4
327.21970	1.5
446.88498	1.4
479.98291	1.6
635.84583	1.6
805.22058	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	805.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
65.51806	0.4
71.01386	0.6
73.02912	0.5
133.02956	16.1
134.03717	2.8
135.04553	4.1
137.02483	0.6
149.06081	0.9
160.01651	0.9
161.02437	100.0
163.03973	0.6
165.05582	0.6
175.03990	8.4
178.02719	0.6
179.03502	3.1
191.88501	0.4
193.05066	8.2
250.92249	0.4
265.07114	0.5
413.12198	0.5
440.27493	0.4
529.37366	0.4
629.17676	0.5
763.21033	0.7
805.21930	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
89.02448	1.5
93.03465	4.8
119.05009	4.8
136.01608	1.4
137.02437	24.1
142.61354	1.0
147.90337	1.2
151.03952	1.7
153.03851	1.1
153.05429	1.0
163.03996	4.9
175.03993	1.7
177.05559	1.6
179.03499	25.3
180.04285	1.2
195.06651	2.4
209.04561	4.1
239.05641	16.5
281.04605	1.3
282.05350	2.5
283.06207	1.6
285.04111	8.9
299.02289	7.0
299.07935	8.2
309.03946	1.5
311.05716	1.7
313.03571	81.7
314.04321	18.8
327.05249	6.9
328.05936	100.0
329.06711	13.9
369.82141	1.1
387.71289	1.2
477.11911	8.2
507.13062	13.1
807.20123	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3032
Annotation	Hedyotisol A
Peak:m/z	Relative Intensity
59.06727	1.8
67.68358	2.0
76.01999	1.8
122.03767	2.6
125.76554	1.9
134.03661	2.3
136.01772	2.0
137.02440	3.3
144.73050	2.2
149.02423	16.7
150.03224	67.0
151.04015	8.6
164.04799	4.6
165.05565	100.0
167.03618	2.3
179.07114	7.8
180.04257	3.4
181.05081	13.5
193.05078	3.1
195.06627	19.2
220.07465	2.5
246.93567	2.2
417.15640	3.2
565.20551	7.3
613.23096	4.9
713.26099	4.2
743.27197	4.4
761.27917	9.3
791.29388	7.6
809.30133	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	814.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.7
64.42766	1.1
64.43609	1.3
71.01362	7.2
82.63834	1.1
85.02884	1.5
89.02432	6.2
91.90515	1.4
92.19071	1.9
113.02432	7.8
119.03469	1.7
122.02451	78.1
130.12186	1.2
143.85405	1.2
149.02406	3.1
160.04172	1.4
162.01927	6.2
164.04764	9.0
179.07104	2.4
190.02682	20.0
190.06441	1.3
205.05043	40.0
205.08521	1.5
206.05806	2.3
208.03780	5.9
210.40627	1.4
221.08240	9.0
223.06104	25.3
237.07628	2.4
250.04729	1.5
265.07169	13.7
266.06717	1.6
289.47849	1.4
325.09390	2.1
385.11499	2.8
394.27502	1.5
423.55212	1.5
590.50854	1.8
655.55334	1.6
691.20612	6.4
814.24054	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	815.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78494	0.9
71.01350	1.2
75.94225	1.1
76.61568	0.9
80.60931	1.1
88.77817	1.0
101.02423	1.3
128.34239	1.2
131.12993	1.2
134.03802	1.2
152.01093	2.2
155.70103	1.1
161.04474	1.2
227.59703	1.4
271.02451	1.9
273.04044	4.5
285.03983	1.1
287.01895	1.4
289.07059	1.4
301.03506	4.9
302.04349	1.6
315.01443	20.0
316.05783	1.3
317.06711	4.2
329.03067	44.3
330.03815	57.2
344.05408	26.4
345.06155	100.0
517.61407	1.2
639.14087	1.2
815.22528	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	815.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37554	0.7
63.45753	0.7
75.38255	0.7
89.89571	0.8
91.61796	0.9
101.02435	1.0
121.92394	0.8
201.23871	0.8
253.09096	1.5
279.23178	3.8
281.24817	26.5
295.22696	4.5
296.23080	1.5
297.24326	100.0
347.48895	1.0
475.29501	0.9
517.33600	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	818.5912
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83664	0.5
63.08632	0.5
66.56709	0.5
78.95891	2.6
80.10736	0.6
85.48360	0.5
98.18007	0.6
99.77554	0.6
105.44227	0.5
152.99620	0.7
155.10750	15.5
168.04312	0.8
209.94821	0.6
220.35222	0.6
224.06892	5.9
241.05173	0.6
242.08015	0.9
266.97507	0.6
279.23279	14.7
281.24817	56.0
295.22714	3.2
296.23187	0.9
297.24326	100.0
372.74063	0.7
506.32465	52.6
587.50153	0.8
818.59192	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	819.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
94.63693	2.8
99.25241	2.9
102.58898	2.8
132.02116	4.7
134.03714	17.1
160.01639	78.7
175.02454	3.8
175.03966	100.0
193.05064	22.3
272.07907	3.6
437.96063	3.8
442.29562	3.4
736.45618	3.8
759.20972	3.9
777.22314	13.0
779.60297	3.8
819.23212	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	820.6081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29870	1.8
77.52796	1.7
78.95915	8.8
80.65516	2.1
92.18555	2.5
96.96597	1.8
120.90451	1.7
121.64538	1.9
132.20378	1.9
132.86913	1.7
137.04233	1.9
155.10754	2.9
171.10268	4.3
205.69035	2.4
224.06973	7.6
239.94743	2.3
279.23361	15.8
283.26437	97.7
297.21112	4.3
297.24365	91.8
475.00665	2.1
508.34097	100.0
820.61761	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	822.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
71.01362	2.0
73.02930	0.7
75.00857	3.3
85.02451	0.3
85.02924	2.0
88.51047	0.4
89.02426	1.6
101.02412	4.0
102.89896	0.3
106.02962	2.9
113.02428	1.9
116.07171	0.5
123.40544	0.4
124.75931	0.4
125.02434	0.6
134.02452	12.9
143.03491	0.5
144.47548	0.4
158.02451	0.5
160.04022	9.7
161.04550	2.1
162.01941	100.0
186.01959	2.9
202.01443	1.8
203.01790	0.5
204.03035	4.7
227.97636	0.4
251.11320	3.6
270.85367	0.4
413.16544	0.8
455.17746	9.9
478.33212	0.4
600.19342	2.5
618.20325	41.3
822.28699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.69848	0.8
69.34811	0.8
69.64201	0.8
71.01375	1.6
75.00881	1.5
85.02950	1.4
89.02448	1.0
101.02454	1.8
106.02982	6.5
107.33858	0.8
113.02499	1.5
134.02481	19.9
136.13306	0.9
160.04025	16.7
161.04477	1.2
162.01971	100.0
186.01932	5.6
204.02989	6.8
221.98387	1.0
243.75410	1.0
251.11412	2.0
304.93060	0.9
323.13495	2.3
324.14130	1.4
369.13672	0.9
497.18845	9.6
498.75775	1.3
642.19965	6.9
651.41608	1.1
660.21558	23.8
698.21753	1.0
749.48157	1.0
805.23035	4.3
823.24353	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	823.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.2
61.76800	0.4
64.35378	0.3
66.58996	0.3
71.01376	7.2
78.82563	0.3
81.03435	0.3
83.01395	0.9
85.02934	1.0
87.00876	1.6
89.02436	8.6
97.02915	0.8
97.06577	4.8
101.01815	0.5
101.02432	9.3
103.78258	0.4
113.02449	3.5
119.03502	3.5
123.08145	2.4
125.02425	1.6
125.09709	47.0
140.78218	0.4
141.01768	1.6
143.03514	0.6
143.10730	0.5
156.94868	0.4
169.08667	1.7
187.09750	33.7
221.06679	1.8
235.08214	1.7
255.23286	36.5
397.13635	0.6
636.63892	0.4
823.47003	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	825.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55653	0.5
69.38910	0.5
72.76983	0.5
84.96595	0.5
100.63947	0.7
107.05009	4.0
134.03725	0.6
134.73567	0.5
135.04514	29.5
165.05505	4.6
204.06194	0.6
271.02432	1.1
299.01965	43.1
313.03479	3.5
313.06763	0.6
314.04324	87.8
328.05765	1.2
329.06668	100.0
354.53992	0.6
447.10654	2.3
461.09094	0.7
477.22397	0.7
495.12970	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	825.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
64.81009	1.9
71.01379	9.6
75.44281	1.3
85.82516	1.3
88.03369	1.3
89.02425	10.4
113.02435	2.3
115.00367	6.9
115.08234	1.5
118.04283	2.1
119.03513	1.7
119.05036	3.5
121.02956	6.5
122.02466	2.0
127.07571	1.4
160.04028	2.0
162.01924	5.6
162.03250	6.9
163.04013	14.1
180.21712	1.6
220.21536	1.7
263.05872	1.9
278.04306	2.0
279.06796	6.5
280.07431	5.9
293.04480	2.2
295.09866	3.5
307.06122	16.7
308.06924	8.7
341.10843	2.5
352.05905	27.0
357.37177	1.5
367.08261	100.0
506.50827	1.5
517.15369	2.3
531.67798	1.5
551.90735	1.8
665.20697	3.5
709.19812	21.0
810.07135	1.6
825.20612	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	825.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87432	1.0
58.82005	1.0
59.01376	5.3
63.15276	1.0
71.01373	6.2
73.78558	1.1
85.02932	1.5
89.02433	6.8
92.19075	1.7
101.02417	4.9
113.02432	14.0
114.50173	1.3
117.03445	7.8
119.05001	10.6
125.02397	2.2
129.01945	1.4
134.03723	9.9
145.02946	57.3
149.06055	6.1
160.01704	13.1
161.02415	2.7
161.04657	1.2
161.06097	2.8
162.01973	1.4
163.03993	28.0
175.04008	32.1
177.05612	2.2
178.02715	2.4
191.07175	2.7
193.03362	2.4
193.05052	37.4
205.05077	13.0
223.82927	1.3
224.16949	1.2
235.06104	7.1
265.07190	12.1
307.08328	2.0
493.38919	1.3
534.30298	1.4
825.24573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85167	0.1
111.57246	0.1
112.07677	0.2
129.10281	0.1
129.89627	0.1
130.08688	0.6
178.39194	0.1
207.15057	0.2
223.68105	0.1
225.16061	1.5
244.66528	0.1
282.51236	0.1
338.24603	0.2
449.56882	0.1
601.01105	0.1
772.56573	0.2
790.57916	1.0
826.55798	100.0
827.55750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41003	0.9
59.01371	3.4
71.01364	15.0
71.47095	0.9
75.58904	0.9
84.31769	0.9
85.02912	1.4
88.04036	4.2
89.02426	5.4
101.02415	6.6
113.02432	3.5
119.03466	3.8
122.02425	1.6
122.39848	0.9
146.08206	36.0
162.30002	1.0
218.10316	2.1
253.21928	1.0
257.94458	1.1
308.13449	7.8
379.12439	1.3
380.15631	100.0
434.26819	1.0
608.18445	1.2
827.26807	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	829.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39347	1.0
59.01081	1.3
59.01380	32.7
61.03116	1.0
69.21928	1.0
72.35199	1.2
80.62443	1.0
132.48921	1.1
150.68546	1.0
157.03540	5.5
159.01501	15.6
201.02551	100.0
202.02696	12.0
203.02306	13.6
250.47255	1.2
265.21964	1.2
301.02740	9.1
302.02859	1.7
303.02637	1.7
343.03745	46.8
344.03952	12.1
345.03543	17.7
386.96954	1.2
671.82001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56610	0.8
81.03218	1.1
83.30671	0.8
84.57032	0.8
99.90477	0.9
147.04500	2.2
149.02428	20.4
150.03120	1.3
164.04784	41.1
179.07150	2.1
190.02718	11.1
205.05116	8.9
208.03802	1.8
209.04576	1.7
223.06157	11.7
271.02466	2.3
279.55090	1.1
285.04028	5.7
299.01956	12.3
313.03543	71.1
314.04321	48.4
315.05133	11.1
317.06552	1.4
327.05072	10.3
328.05856	29.6
329.06671	49.0
339.12363	1.3
343.04532	2.2
355.04666	1.2
399.72165	1.0
475.08804	1.7
503.07831	1.2
575.10455	10.9
590.12939	6.7
605.15149	100.0
623.15845	2.1
829.21954	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
85.80112	2.1
86.53900	2.1
92.19048	4.3
92.42748	2.2
119.05041	4.4
131.96030	2.6
132.02144	4.4
145.02956	25.9
160.01654	71.7
161.02499	3.4
163.03957	20.0
175.03999	100.0
231.95816	2.3
310.60504	2.5
431.21191	2.5
771.21295	3.1
784.01605	2.4
789.22125	8.0
831.23523	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
71.01395	0.2
76.04319	0.2
77.69814	0.2
83.41899	0.2
84.04500	0.2
101.02425	0.3
113.02422	0.4
117.03450	0.3
117.61031	0.2
125.02439	0.2
132.02153	0.3
133.02940	12.8
134.03708	0.2
135.03479	0.3
135.04512	8.4
137.02388	0.3
143.03532	0.4
161.02431	100.0
177.05592	0.7
179.03484	15.5
185.06456	0.2
203.03401	0.3
205.05078	0.2
221.04584	1.0
233.04601	0.8
251.05638	1.0
279.73840	0.2
305.06577	1.1
323.07394	1.4
365.08783	1.2
383.11969	0.8
440.06711	0.2
480.76273	0.2
512.76367	0.2
527.13800	0.3
545.15234	0.4
569.14874	0.3
587.16187	0.4
629.17065	0.4
671.18475	2.9
791.20038	0.3
833.21448	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	833.253
Annotation	Unknow
Peak:m/z	Relative Intensity
77.20819	0.7
86.56258	0.6
129.24927	0.7
137.02454	0.7
140.22415	0.8
145.81223	0.7
149.02414	1.0
150.03220	18.2
152.19618	0.6
162.02049	0.7
165.05582	28.4
167.03473	5.6
180.04257	1.2
186.25681	0.8
191.05724	0.8
195.06650	4.4
209.04565	1.3
211.78023	0.7
234.02188	0.7
271.02454	1.4
273.22241	0.7
283.06003	0.8
285.03928	0.9
299.02106	7.2
313.03601	17.4
313.06970	1.1
314.04391	40.5
315.05157	6.4
327.05231	1.2
328.06036	11.2
329.06723	100.0
343.04712	1.1
402.39395	0.7
473.11389	1.0
477.11505	5.7
525.13837	2.7
607.13770	2.4
637.17871	55.1
785.22638	2.7
790.58075	3.4
803.26703	0.8
833.25311	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	833.5192
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01387	0.4
73.20380	0.4
78.95898	20.7
88.46474	0.4
92.18483	0.7
96.18402	0.3
96.96957	5.6
133.19516	0.3
152.99574	14.6
161.64536	0.4
178.01550	0.3
185.95361	0.4
223.00139	4.5
241.01196	23.3
255.23294	57.7
256.23627	0.6
259.02124	2.8
279.23303	52.9
281.24774	0.5
315.04895	1.6
391.22525	1.5
391.88217	0.3
759.82617	0.5
833.51886	100.0
834.51556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
95.05005	1.4
98.28152	0.2
112.07658	10.0
113.06061	4.0
129.10327	5.7
130.08711	17.0
137.07231	0.3
146.49821	0.2
153.10202	0.2
180.03653	0.2
197.16547	0.2
207.14999	6.4
208.13402	1.7
224.17665	2.9
225.16058	36.6
226.16335	0.3
237.71992	0.2
242.18681	0.8
243.17108	0.2
306.34473	0.2
320.23404	3.3
337.26025	4.3
338.24466	11.3
355.27155	0.2
433.31824	3.7
450.34567	4.1
451.32825	5.2
488.83731	0.2
546.40131	2.1
563.42810	2.5
564.41138	2.3
624.00659	0.2
659.48657	1.2
676.51099	1.7
677.49963	0.2
718.52667	0.3
772.56976	7.2
790.58069	100.0
791.58246	0.9
793.58899	1.6
836.58588	40.4
837.58258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51101	1.7
64.97190	1.6
68.92487	1.3
85.32355	1.6
128.14706	1.8
141.34317	1.7
167.03476	10.7
173.57635	1.6
175.04053	2.0
177.32309	1.9
181.05103	2.6
185.15421	1.8
209.04590	18.7
217.84207	1.6
269.06555	6.7
283.06259	1.8
285.04034	8.7
313.03528	83.6
313.07144	3.6
314.04364	3.1
327.05054	6.9
328.01904	3.7
328.05862	100.0
329.09021	1.9
470.62875	2.0
477.11948	4.1
507.12912	14.5
743.45129	2.0
837.23285	3.1
849.86578	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	840.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94007	1.0
59.01370	3.2
71.01385	2.3
73.02945	1.7
80.05623	1.3
80.18167	1.2
80.48625	1.3
85.02938	3.0
101.06051	2.9
113.02412	2.7
122.01572	2.9
122.02452	74.3
125.02455	1.7
132.04526	2.4
134.02437	3.2
136.04012	8.4
148.04077	2.2
159.03244	2.6
160.04013	100.0
161.04765	6.2
162.01944	30.4
162.05589	84.2
162.06982	2.4
164.23053	1.3
176.03487	1.8
188.03519	8.6
206.04564	88.9
225.94839	1.4
248.05539	2.5
350.08817	2.3
351.12860	6.6
492.95874	1.7
512.14569	2.0
635.16888	2.2
677.18280	93.3
822.20111	3.0
840.20886	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.4
60.65781	1.1
71.01378	11.6
85.02921	2.6
89.02413	13.1
101.02445	6.6
113.02409	16.1
117.56325	1.3
119.03494	5.4
125.02424	4.9
129.01918	2.5
134.03716	14.2
149.06093	5.8
156.09232	1.3
160.01654	6.9
161.04561	2.6
175.03986	43.4
178.02718	3.2
191.07167	1.7
193.05069	46.1
194.10172	1.6
235.06126	3.2
265.07172	8.1
326.43317	1.5
345.89352	1.6
503.15573	1.6
517.14703	2.1
679.20911	100.0
841.26733	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	841.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.2
70.13299	1.1
71.01385	16.5
85.02946	1.4
87.00884	1.0
89.02442	34.7
95.01393	1.3
96.23274	1.1
101.02429	19.4
113.02456	14.5
115.37364	0.9
119.03495	16.5
131.03517	1.1
134.03770	2.2
143.03528	1.3
160.01697	3.8
161.04555	1.5
162.02003	4.3
175.03993	15.6
179.05643	1.4
193.05043	8.3
232.84192	1.0
234.67822	1.1
281.43652	1.1
323.13504	100.0
439.01086	1.2
455.99194	1.4
492.09592	1.3
505.50525	1.1
517.15900	2.3
525.97327	1.5
677.72797	1.5
679.21112	9.9
692.75269	1.2
841.26404	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	843.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
71.01369	1.1
72.31083	0.6
73.02935	0.6
77.33018	0.6
78.03499	0.9
83.41323	0.5
85.02974	0.8
87.00852	0.8
89.02454	0.8
100.03637	0.6
101.02438	2.7
106.02969	5.3
108.02158	2.3
109.02954	6.1
113.02460	1.1
119.03481	0.8
125.02444	2.7
130.21205	0.6
134.02480	19.7
143.03563	0.7
160.04030	19.3
162.01956	100.0
175.17747	0.6
186.01993	1.4
200.96935	0.6
204.02966	6.3
245.12669	0.6
397.56769	0.7
403.66946	0.7
457.13806	1.2
475.14590	0.8
480.29086	0.8
517.15485	9.6
655.74786	0.7
662.17395	9.9
680.18420	19.8
680.29901	1.0
797.70593	0.8
803.53101	0.6
807.19769	1.2
825.19385	5.0
843.20917	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	845.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.8
61.81437	0.3
62.81446	0.2
69.55173	0.2
71.01375	21.9
71.51247	0.2
73.02946	1.7
75.00869	0.3
82.80141	0.3
83.01364	0.5
85.02937	2.6
87.00375	0.4
87.00870	7.8
89.02434	51.0
92.18053	0.3
93.66724	0.3
95.01391	1.4
97.02979	0.5
101.02433	25.3
108.56174	0.3
113.02438	16.8
115.04004	0.3
119.02692	0.6
119.03487	11.2
125.02416	0.7
131.03484	3.6
137.15602	0.3
141.01909	0.6
143.03485	5.2
149.04568	2.2
161.04536	7.6
172.72539	0.4
179.05614	16.5
203.05667	0.4
221.06657	30.5
323.09607	0.6
341.10873	7.7
353.72711	0.3
488.47638	0.3
503.16208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81054	7.1
105.05698	9.5
116.87295	8.2
129.10841	8.2
160.05298	14.5
175.07622	49.0
177.05626	10.0
178.06317	34.6
247.80794	8.9
267.06613	8.8
282.09164	9.2
294.08969	14.6
299.01764	17.2
308.06668	11.1
311.05624	13.4
314.04230	45.9
323.05777	10.4
323.09280	55.9
329.06601	72.3
329.13916	17.9
338.07889	32.9
353.10254	32.0
395.11713	10.8
497.14438	49.2
815.30322	77.6
827.29791	67.1
845.30505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.4
59.24486	0.2
59.62334	0.1
64.79788	0.2
68.01697	0.2
78.09394	0.2
83.38163	0.2
89.77950	0.2
90.12456	0.2
96.99518	0.2
106.76993	0.2
113.94171	0.2
116.92809	0.5
117.03443	0.7
125.02416	0.2
132.02165	0.7
133.02933	16.4
134.03726	2.4
135.04485	2.0
149.06087	0.3
160.01620	1.9
161.02417	100.0
162.02725	0.4
175.03973	7.5
175.12639	0.2
178.02696	0.2
179.03471	3.0
193.05038	4.7
265.07019	0.2
329.23221	0.2
337.09396	0.3
345.22470	0.2
369.99234	0.2
671.17908	0.8
805.22327	1.9
816.02893	0.3
847.22919	54.1
848.23077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91385	0.9
78.95897	20.9
96.96950	5.9
99.10243	0.9
138.90796	1.0
149.65334	1.1
152.99580	13.5
162.16435	1.0
171.10249	8.6
195.13882	10.3
222.10356	1.3
223.00169	5.3
240.98761	1.4
241.01198	29.1
255.23285	46.4
259.02191	1.3
277.21777	15.7
279.23157	1.7
284.37805	1.3
295.22766	26.7
297.03732	1.1
526.35974	1.1
849.51331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52465	1.5
70.33454	1.5
74.49360	1.7
80.00582	1.7
99.44936	1.8
122.69447	1.6
150.03197	29.4
165.05540	71.2
175.04007	2.5
180.04340	2.7
195.06625	9.4
211.13486	3.0
239.58525	2.3
243.53743	2.3
247.69775	1.9
299.02042	21.7
313.03476	7.3
314.04318	68.4
327.21735	31.6
328.05823	7.6
329.06635	74.2
338.82654	2.1
518.04419	1.9
525.05951	3.5
525.13947	100.0
670.16913	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	855.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.4
71.01379	6.8
72.99287	0.3
73.02927	0.3
77.58814	0.3
83.01375	0.4
85.02946	2.6
87.00871	1.6
89.02442	6.2
97.02948	0.5
99.00868	0.5
101.02442	2.5
102.07858	0.3
113.01646	0.5
113.02439	11.3
117.03468	0.6
119.01880	0.4
119.03493	1.4
123.04507	0.6
125.02414	2.0
129.01904	0.8
131.03494	0.3
132.02127	1.7
134.03734	21.0
135.04506	0.5
137.02403	0.6
137.51738	0.3
143.03482	1.4
147.04646	0.3
148.05315	0.3
149.06073	10.2
151.03957	0.3
160.01656	25.3
161.02458	2.8
161.04535	1.2
173.06271	0.4
175.03996	61.8
176.04773	3.1
178.02699	3.8
179.03503	1.6
179.05643	0.5
191.07144	7.3
193.05061	47.1
207.06686	2.5
217.05115	0.7
231.06573	0.6
235.06126	13.6
259.06046	0.5
265.07156	5.7
295.08200	4.1
319.08282	0.5
337.09286	2.5
443.42877	0.4
476.99200	0.4
499.13959	0.4
661.20166	2.3
679.20929	3.0
855.25677	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	856.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07851	0.6
92.19091	1.2
95.81371	0.6
97.94370	0.6
106.02978	2.9
122.02470	17.9
125.02415	1.1
134.02470	10.7
136.04033	3.2
147.04501	1.3
150.05589	3.3
160.04047	12.3
161.01167	2.6
162.01961	100.0
163.02269	0.7
178.05040	1.2
204.03014	3.9
222.04059	5.8
243.70863	0.8
348.07144	0.9
569.75195	0.7
572.63544	0.7
676.18945	4.0
683.53906	0.8
693.17853	10.7
856.20465	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	859.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02515	1.9
86.77503	2.1
90.80807	2.1
100.57339	2.0
175.04129	1.9
228.00647	4.4
229.01428	12.1
243.02986	25.2
279.06604	2.3
280.07370	10.6
283.06030	3.3
293.04538	1.9
295.09726	10.5
297.07751	3.6
324.06570	6.6
334.04852	2.5
339.08749	4.8
345.57556	2.2
349.07111	4.4
351.05103	3.7
352.05856	2.1
367.08130	8.1
448.04449	2.3
697.30914	2.1
859.22937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62643	0.6
71.01383	5.0
72.57807	0.6
72.99296	1.4
73.02934	1.1
75.00857	8.2
85.02930	10.1
87.00861	4.3
89.02435	1.2
89.27309	0.6
94.82816	0.7
95.01371	1.6
99.00877	5.5
101.27563	0.7
103.00380	0.9
104.96834	0.7
113.02430	18.7
113.07249	0.8
115.00361	0.8
117.01936	1.6
121.02926	53.7
129.01912	1.6
145.02855	1.3
162.01970	3.0
163.04042	1.7
175.02374	0.7
231.05064	1.5
249.06108	11.1
371.09799	100.0
503.74384	0.8
644.58459	0.8
859.23712	3.1
863.25806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08717	0.1
65.49103	0.1
67.23759	0.1
71.01371	0.6
73.02951	0.8
76.56559	0.1
79.06470	0.1
82.77225	0.1
83.01379	0.2
87.00871	0.3
95.63710	0.1
97.02946	0.2
99.00833	0.2
101.02433	0.6
113.02441	0.7
117.03461	0.2
125.02443	0.5
132.02164	6.9
133.02957	1.3
134.03737	8.5
135.04524	0.5
136.22606	0.1
137.02417	0.2
147.04518	0.5
148.05312	0.2
149.02425	0.1
149.06087	2.3
158.03719	0.1
160.01657	75.4
161.02434	4.6
161.78096	0.1
162.03285	0.2
167.03407	0.1
173.00633	0.1
173.06027	0.2
175.04004	100.0
176.04723	0.1
177.02037	0.2
178.02718	1.5
179.03513	0.7
188.04839	0.1
189.20351	0.1
191.07085	0.2
193.05061	13.1
232.04048	0.1
235.06158	0.2
247.06104	0.2
259.05878	0.1
263.16144	0.1
265.07196	0.8
294.10019	0.1
307.08298	0.1
319.08212	0.7
337.09427	0.6
346.06903	0.1
361.09259	0.3
379.10239	0.2
383.11929	0.1
433.92209	0.1
481.14026	0.1
518.58344	0.1
541.15497	0.3
548.60364	0.1
555.15460	0.5
583.16882	0.2
625.17889	0.4
643.19220	0.7
667.18805	1.0
685.19879	1.1
777.23010	0.2
801.22504	4.2
819.23517	4.5
861.24628	76.3
862.25146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44580	1.5
65.49069	1.5
71.01373	2.0
71.07623	1.4
76.57978	1.6
85.89388	1.9
107.96430	1.9
112.48347	2.2
126.34705	1.8
128.98979	1.8
134.03702	13.7
149.06053	7.8
150.03195	20.2
160.01651	18.7
160.05263	12.7
164.04829	4.3
165.05559	28.3
175.03999	61.1
175.07594	19.1
177.05539	2.5
178.06325	10.1
192.07890	4.1
193.05029	21.8
193.08664	2.4
195.06628	4.4
195.27794	2.2
208.93831	2.2
282.08966	2.5
314.04343	12.6
329.06610	19.4
329.13907	13.3
337.09299	18.9
493.96426	2.2
523.82727	2.0
533.16595	7.2
535.11420	2.2
667.24103	100.0
863.30078	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	866.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27819	0.5
72.99316	2.7
75.00876	100.0
92.19049	1.3
101.17793	0.6
111.04546	0.8
112.07690	2.5
130.08745	2.7
207.06061	0.6
207.15088	0.9
224.17639	1.3
225.16127	6.3
337.26050	2.2
338.24533	3.2
431.30063	0.7
433.32117	1.0
450.34460	2.8
451.33057	0.9
563.42841	1.1
620.66064	0.6
648.95526	0.6
770.55701	1.3
788.56714	1.2
790.58325	28.3
805.56653	0.7
806.57648	31.1
866.59796	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	868.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
85.08381	1.8
107.81557	2.1
125.02427	58.5
145.75450	1.8
151.00407	7.4
152.01134	2.2
153.01912	11.3
159.27559	1.7
167.48013	1.6
172.35933	2.0
175.04041	10.6
177.01918	15.0
178.99864	7.5
181.01390	7.4
199.04025	3.2
217.05107	11.6
234.73759	1.8
241.05107	8.1
259.06128	2.6
274.17346	2.0
275.05579	2.9
285.04083	55.0
303.05127	100.0
519.78351	1.8
643.28760	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	869.6505
Annotation	Unknow
Peak:m/z	Relative Intensity
72.52916	0.3
83.45722	0.3
85.64999	0.3
104.27903	0.3
124.93066	0.4
135.21777	0.3
137.07487	0.3
143.78244	0.3
236.32388	0.4
279.23282	100.0
368.98828	0.4
375.21979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36412	0.2
64.43796	0.2
66.92376	0.2
71.01367	0.6
73.02937	0.4
73.85387	0.2
89.02435	0.3
91.01882	0.3
93.03449	37.2
101.02399	0.4
104.84618	0.2
106.02992	2.3
113.02419	0.5
122.02491	0.3
125.02435	0.6
134.02477	7.1
137.02441	100.0
143.03526	0.5
148.04120	0.3
150.05606	1.0
160.04024	8.4
161.01176	3.9
162.01962	61.8
174.05490	0.3
176.03514	0.5
178.05106	0.4
182.56812	0.3
186.01964	0.4
202.05092	0.4
204.03029	7.3
209.35501	0.3
222.04010	1.8
228.02980	0.6
245.06659	0.3
246.04065	0.6
287.87286	0.3
426.10275	0.4
450.10391	1.3
468.11032	0.3
552.13727	0.6
570.14587	10.1
708.17712	3.4
715.16711	2.6
733.17426	13.0
853.20520	0.4
871.20508	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.6666
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55582	0.3
63.72200	0.3
73.65636	0.4
77.33511	0.4
95.73956	0.4
98.44608	0.4
125.13133	0.4
190.54204	0.4
235.96944	0.5
261.22281	0.6
279.23291	100.0
280.23688	1.4
352.37637	0.4
363.89264	0.4
494.02682	0.5
500.49710	0.5
611.62909	0.5
627.30896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.297
Annotation	Unknow
Peak:m/z	Relative Intensity
85.72606	6.3
88.90268	7.2
120.46305	6.9
128.03424	6.2
150.67682	7.2
277.08841	9.0
279.10315	11.4
294.08969	15.0
297.07928	8.3
308.06766	12.4
309.07684	52.8
309.10953	16.2
312.10043	39.7
323.09286	11.6
324.10010	62.4
327.12448	44.7
338.08066	32.4
339.12433	13.5
341.10226	14.9
353.10312	34.3
382.09933	9.4
395.11133	13.0
485.14774	8.6
497.14417	53.8
539.64624	9.4
629.46729	8.1
749.87512	7.4
843.29144	55.6
855.28729	76.1
873.30334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01344	4.9
73.88554	4.9
75.33447	4.3
78.95386	4.4
79.09163	5.1
82.51748	4.6
95.14807	4.9
96.00491	4.6
108.02177	6.2
115.74759	4.7
120.40639	4.9
137.09047	5.2
151.03981	19.8
165.05502	5.3
191.07147	9.4
244.27007	5.3
279.06613	8.4
282.08963	9.7
294.05627	5.8
294.08954	25.7
295.71350	5.5
297.11319	26.0
308.06934	8.4
309.07935	10.7
322.08456	9.1
323.05743	7.3
323.09149	36.8
324.10004	6.6
326.07736	6.0
336.10303	5.1
338.07953	34.1
339.12408	22.7
341.10254	25.1
353.10275	86.7
364.09717	6.1
365.06500	6.5
380.09094	27.8
381.80838	5.1
383.11353	21.7
395.11325	57.1
413.12836	11.2
425.12619	8.1
443.13684	10.1
455.13431	28.7
473.14545	23.3
497.14426	11.9
503.15677	9.3
515.15784	9.4
533.16681	100.0
843.28772	22.7
855.28717	11.9
868.20667	6.4
873.29437	66.7
909.46240	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	875.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17687	1.2
75.49887	1.2
92.18344	2.8
117.03488	5.0
119.05030	100.0
121.02936	2.1
145.02939	24.3
163.02672	2.5
163.04027	71.1
165.05560	1.5
168.34087	1.3
247.74370	1.5
272.06943	6.8
287.09460	5.2
323.09079	1.5
339.08774	12.5
354.11261	2.8
369.13779	1.6
515.38403	1.7
610.83545	1.7
673.92383	1.4
711.24835	3.1
729.25378	2.0
875.29315	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	875.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	2.6
71.63287	1.0
79.87300	0.9
82.13187	1.1
86.03856	1.0
92.18356	1.0
101.02398	1.6
117.93282	1.2
123.04470	1.2
149.02419	1.5
150.03217	5.8
159.04512	1.8
160.05276	20.2
161.06003	4.0
163.03981	4.9
164.04784	6.5
165.05545	1.3
173.06079	2.1
174.03209	8.7
175.03975	4.4
175.07634	33.3
175.92676	1.2
177.05574	8.5
178.06332	22.4
179.03461	1.2
191.07285	1.3
192.07974	10.0
193.08720	5.1
202.02747	1.9
217.05093	6.3
229.04982	1.6
235.06036	1.7
249.05534	1.4
265.05048	4.9
265.08051	1.2
267.06616	4.7
277.05261	1.2
277.08713	2.5
279.06842	7.7
279.10248	6.7
280.07263	3.8
282.08829	11.6
289.05417	1.5
292.07407	2.1
293.04538	8.3
293.08038	1.4
294.05753	2.4
294.08948	23.3
296.10538	1.5
297.11374	5.6
299.12613	1.4
303.06378	1.5
304.07401	1.7
305.04669	2.7
307.05820	1.2
308.06952	26.2
309.07666	5.3
309.11191	1.6
310.08459	1.7
311.05746	1.7
314.11368	1.9
315.12454	2.3
320.06903	10.4
321.07629	2.0
322.08411	4.6
323.05518	8.7
323.09213	50.6
324.10037	1.7
325.10486	1.5
326.07962	2.1
329.13986	53.3
335.09387	9.6
338.07941	22.0
341.10202	10.0
351.08423	1.8
353.10294	47.2
382.10379	2.2
394.10526	2.1
395.11514	8.1
437.12430	6.5
465.11353	1.3
470.12442	1.4
482.12537	8.8
485.14322	2.2
497.14627	34.8
596.75659	1.3
749.51672	1.3
815.28864	2.0
827.29175	13.3
845.30188	50.8
857.30212	45.4
858.86627	1.2
875.31250	100.0
876.33618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23098	0.8
72.20367	0.8
76.12291	0.9
82.95405	7.1
83.02487	18.6
84.00883	3.8
112.07660	8.6
113.06049	4.2
129.10335	4.0
130.08707	11.2
155.66165	1.0
180.96150	1.0
207.15022	2.2
207.89754	1.0
225.16049	22.7
225.29050	0.9
234.49040	0.9
254.70461	1.0
320.23383	1.5
337.25958	4.5
338.24393	7.4
433.31668	1.6
450.34244	2.1
451.32968	4.3
472.30832	1.1
563.42181	1.8
772.56995	4.4
790.58087	100.0
875.61108	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	878.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
79.55466	1.3
84.06116	1.4
85.00436	13.6
86.00710	1.2
86.02449	1.7
87.00878	100.0
88.25436	1.4
91.82945	1.4
92.18303	2.7
123.66897	1.4
125.52220	1.5
128.44427	1.5
162.01961	3.3
222.87157	1.4
285.47079	1.5
337.11752	1.4
691.99658	1.7
774.95630	1.9
790.58594	7.5
878.59821	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	880.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16198	0.6
68.10912	0.7
84.19080	0.6
87.00866	6.6
88.00411	6.9
88.98804	100.0
89.02444	35.3
130.08766	0.8
225.16049	2.8
282.84500	0.7
284.28458	0.7
337.26419	0.8
507.88733	1.1
790.58295	14.1
880.59589	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	881.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	6.0
71.94948	0.3
85.02884	0.4
87.00861	3.8
89.02433	17.4
101.02437	8.2
110.02934	0.3
113.02439	7.3
113.42340	0.3
119.03471	4.5
124.06828	0.3
125.02483	0.5
131.03517	0.7
143.03499	2.9
149.04555	0.9
161.04546	4.8
179.05608	16.0
185.32237	0.3
221.06651	11.2
323.10016	0.4
341.10739	1.8
377.08591	4.0
408.14951	0.4
503.16092	9.2
539.13861	100.0
578.81140	0.4
657.14948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92165	0.9
71.01379	7.5
75.00883	9.4
85.02934	11.9
89.02438	2.7
95.01364	2.7
99.00864	1.6
101.02459	1.4
103.00372	1.7
113.02438	17.5
121.02933	59.3
121.03816	2.1
122.02492	2.1
129.01936	1.8
151.06105	1.1
160.04085	1.6
162.01929	5.2
175.03926	1.5
193.05098	1.2
231.05067	2.2
237.48322	1.5
249.06172	34.6
371.09808	100.0
371.14514	3.2
570.09705	1.3
616.43018	1.4
820.04071	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07590	2.3
68.34078	2.9
70.00428	2.3
71.65868	2.2
78.86134	2.7
83.33140	2.7
92.18391	5.5
134.03690	3.7
160.01602	24.9
163.03902	4.1
175.03966	70.0
183.96132	2.9
193.05093	26.6
200.00856	3.3
215.03256	13.6
235.00511	4.0
265.07095	15.9
366.23203	3.3
399.24173	3.0
426.84576	3.0
499.14780	4.2
510.04074	3.3
539.14111	6.7
841.21649	5.6
883.22742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.298
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21110	0.7
71.01389	1.5
87.00879	3.4
87.71312	0.7
89.02409	2.8
89.17576	0.8
98.38960	0.7
101.02379	1.6
113.02428	1.6
116.05042	3.7
119.03441	1.0
130.08643	0.8
130.56909	0.8
134.03748	10.2
135.44069	0.8
142.06607	1.2
149.06081	4.6
157.33043	0.8
159.09163	1.3
160.01651	5.4
175.04001	43.6
178.02676	1.4
191.07108	1.4
193.05051	43.1
203.08244	8.6
207.06627	1.3
235.06097	14.2
265.07208	3.3
295.08133	5.5
316.64331	0.8
323.62982	0.8
337.09076	3.2
517.15613	100.0
571.73724	0.9
679.20807	1.9
833.88708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	9.0
72.97537	2.7
87.00882	3.3
89.02451	5.9
91.18800	2.2
101.02449	12.5
113.02449	11.1
119.03534	5.5
127.70296	3.2
131.23299	2.6
134.03738	15.0
137.02499	2.9
148.97017	2.6
149.06050	3.0
150.80252	2.6
160.01627	4.8
161.04477	2.8
162.01993	2.7
165.94101	2.3
175.04033	44.4
190.02719	33.3
191.07178	3.5
193.05086	40.0
205.05089	34.4
223.06157	4.5
235.06148	19.3
265.07300	3.2
277.49857	2.8
283.06158	4.3
311.05594	23.3
420.88657	2.9
431.09760	18.6
508.28015	2.4
661.19720	3.1
679.20923	28.3
774.08069	2.7
885.26819	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	885.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37395	0.9
71.01370	6.1
85.02969	2.5
89.02438	1.9
101.02427	1.7
103.30022	1.2
113.02456	10.5
114.42419	1.2
122.02458	1.1
125.02390	1.7
134.03751	8.9
149.02443	2.3
149.06061	4.9
160.01631	13.8
161.04456	1.2
164.04767	8.8
175.03976	32.4
179.07140	2.2
190.02718	14.9
191.07146	1.6
193.05075	27.0
204.56100	1.2
205.05074	27.9
221.08173	1.4
223.06104	14.3
235.06137	7.5
265.07166	7.4
289.07144	1.6
295.08185	1.6
337.09210	1.6
367.78427	1.2
520.86517	1.1
679.21332	1.5
691.20068	1.7
742.39020	1.4
804.26221	1.2
804.74341	1.3
848.72559	1.2
885.26721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	3.2
78.03493	1.0
87.00879	1.3
89.02441	3.1
101.02441	3.2
101.88699	0.7
101.89387	0.6
106.02961	5.0
111.95797	0.7
113.02444	3.2
122.02476	100.0
125.02412	4.2
125.11914	0.7
133.01784	0.8
134.02478	17.7
160.04037	20.3
161.01198	0.8
161.04636	1.2
162.01964	70.3
179.05643	1.0
186.01973	6.4
204.03056	7.2
251.11270	5.3
293.12402	4.8
437.17294	0.9
506.38181	0.8
599.22021	30.5
722.25189	39.2
744.23352	2.9
762.24554	1.7
801.75983	0.8
867.27130	12.6
885.27875	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60020	2.5
76.37107	2.3
83.27635	2.8
101.02420	10.1
108.02173	13.9
109.02932	14.5
134.02492	3.2
152.01143	100.0
153.01926	31.6
160.04025	13.6
162.01982	43.8
181.26167	2.8
181.87659	2.8
198.53819	2.4
204.02982	3.5
323.13489	4.4
362.45361	3.1
488.01617	3.3
519.13525	6.6
550.92926	2.9
588.22528	3.2
604.42334	3.3
724.17267	6.6
739.42792	3.2
887.20050	95.1
897.92255	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	888.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27728	0.7
76.40624	0.8
78.95889	18.2
79.95716	1.2
84.74567	0.7
90.80493	0.7
92.76901	0.8
96.39468	0.9
96.95988	100.0
96.96946	38.7
101.39437	0.9
103.10341	0.8
111.39594	0.7
118.65488	0.8
137.02415	0.8
141.18430	0.8
149.46655	0.8
183.66170	0.8
553.55908	0.9
786.24835	1.1
829.73022	1.0
888.55341	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
86.72002	3.4
145.49564	3.2
150.03244	3.8
159.04524	5.5
160.05238	29.5
163.04042	3.8
164.04736	4.6
175.04108	4.1
175.07591	41.3
177.05490	6.3
178.06351	22.7
192.07901	8.0
241.20331	3.7
267.06635	5.1
282.08905	5.4
284.10211	5.6
294.09003	13.5
308.06812	23.2
309.07529	7.7
323.09119	38.9
329.13809	30.3
335.09268	4.2
338.07993	17.1
341.10095	12.0
353.10297	31.8
400.38004	3.6
482.11856	7.4
497.14438	21.9
555.41956	3.5
815.29614	17.8
819.62213	3.9
827.28839	21.7
845.29871	26.6
859.27673	20.0
871.27850	5.2
889.29187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92392	0.8
69.33371	0.8
72.45849	1.0
83.39635	0.9
87.34061	0.8
118.82917	1.0
122.03758	1.9
134.03748	10.1
149.02423	4.2
149.06065	4.8
150.03214	23.6
160.01648	18.2
161.02501	1.0
163.08131	0.9
164.04895	1.0
165.05556	41.4
175.03989	72.3
175.21719	1.0
180.04320	4.1
190.06351	2.0
191.07178	1.5
193.05046	20.6
195.06642	9.5
235.06133	6.1
269.08347	1.4
273.24393	1.2
282.09021	2.0
294.08957	1.8
296.10498	1.5
297.07654	7.3
297.10995	2.0
308.10596	2.1
309.07678	18.9
309.11322	7.4
312.10068	20.4
323.09167	1.4
324.09998	22.3
327.12381	27.7
337.09262	17.4
339.12323	14.8
341.10315	2.4
371.11261	2.0
416.51727	1.1
431.13501	1.7
452.37280	1.1
485.14438	4.1
515.15710	5.8
533.16644	20.5
695.23438	100.0
843.28882	4.2
873.28845	4.1
891.30096	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	893.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58125	0.6
62.58506	0.7
71.01366	1.3
75.55802	0.8
98.42273	0.7
101.02414	0.8
113.02405	1.3
121.02948	1.4
122.02398	0.9
123.04494	1.0
134.03719	10.4
137.02483	0.9
147.79497	0.8
149.02403	3.7
149.06091	5.9
150.03200	14.8
158.03700	0.8
159.04457	1.6
160.01627	15.6
160.05240	5.9
161.02324	1.0
161.05981	1.1
163.03947	1.3
164.04750	3.9
165.05547	21.3
173.06006	0.9
175.03976	81.1
175.07567	14.8
176.04512	0.8
177.05504	4.5
178.02635	1.2
178.06297	8.7
180.04256	1.0
191.07133	1.1
192.07970	5.4
193.05051	25.7
193.08748	1.4
195.06604	4.2
235.06107	0.9
249.23434	0.8
250.06422	1.0
252.67343	0.8
267.97461	0.8
282.08951	1.3
315.12384	1.5
329.13892	24.4
337.09259	17.3
341.09940	1.0
367.13794	0.8
485.14737	1.0
496.18661	0.8
507.61591	0.9
515.43903	1.0
533.16504	1.9
639.38684	0.9
644.67670	0.8
667.24036	25.6
697.24982	100.0
738.90881	0.9
828.36310	1.2
847.94507	0.9
863.31744	7.3
893.30957	1.5
905.92987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16403	0.7
81.03614	0.6
90.13652	0.7
113.02393	1.0
137.73373	0.7
138.76607	0.8
162.01941	4.2
186.96870	0.9
283.06192	13.8
310.08533	0.9
311.05621	100.0
341.06604	10.4
358.04840	0.9
431.09824	80.1
688.32281	0.9
731.69623	0.9
899.28687	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	899.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70347	1.3
74.95306	1.2
86.97240	1.2
87.00903	1.3
93.58057	1.3
101.02531	1.2
113.02464	1.4
119.01339	1.4
134.03729	16.4
149.06091	2.9
160.01663	15.1
161.02406	6.0
165.05493	1.5
166.22200	1.2
175.00395	12.3
175.04008	59.6
179.03482	4.9
190.02731	93.2
191.03543	1.5
191.07074	2.4
193.05067	39.1
196.79706	1.2
205.05075	82.2
235.06120	8.8
265.07162	2.2
295.08322	1.6
577.93237	1.4
605.90143	1.4
675.18683	4.5
693.20435	22.2
723.21362	1.4
899.26074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	7.6
72.99294	0.8
75.00862	4.1
75.64154	0.5
84.20569	0.4
85.02936	10.0
87.00861	3.0
89.02435	4.7
91.05515	6.1
95.01382	2.8
99.00871	4.7
101.02449	1.0
103.00347	2.4
112.01669	0.5
113.02432	31.3
117.01942	1.0
117.03452	2.1
129.01929	2.3
131.03503	1.0
135.04512	2.9
157.01430	0.6
161.04517	0.5
175.02441	2.4
175.04004	2.9
176.09164	0.5
187.06241	0.5
193.05098	1.0
203.09406	0.5
205.07155	2.0
205.24086	0.5
207.05173	1.0
223.08238	0.6
235.06129	0.6
249.06163	9.3
259.44528	0.5
267.07211	73.6
307.85214	0.6
385.11417	100.0
517.15924	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	905.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82302	2.6
89.02452	4.1
101.02439	4.0
106.02967	4.4
108.02161	5.0
109.02958	15.9
111.65015	3.2
113.02419	3.4
121.02959	3.4
121.65416	2.9
122.02470	100.0
125.02433	5.7
134.02481	19.9
160.04010	21.4
162.01967	64.5
179.05679	3.4
278.74673	3.2
288.73419	3.4
346.95520	3.4
468.11545	3.7
619.19464	34.7
742.21814	28.7
743.22998	3.6
887.23016	19.1
905.24335	28.3
927.15594	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	905.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
75.22138	1.7
83.06505	1.8
102.32738	1.6
117.03423	11.9
118.04202	7.4
119.05000	99.5
121.02917	12.3
134.03694	2.3
145.02936	73.8
145.04065	3.3
150.03233	2.0
162.03169	7.8
163.03987	100.0
165.05421	2.0
193.05122	1.7
207.06512	3.7
255.06561	2.9
270.08951	3.3
271.06000	2.2
285.07663	49.8
286.08688	3.1
298.08444	3.8
300.10037	22.4
301.10730	2.3
313.10864	4.3
321.07611	2.6
331.11807	3.6
337.07117	7.0
339.08658	2.3
354.10947	2.3
367.11649	3.7
409.12836	11.0
414.06827	1.8
573.17609	62.2
741.24402	5.8
786.17322	2.1
875.29083	7.7
887.29175	2.7
905.30054	96.5
905.48010	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	911.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15269	1.3
71.00333	1.4
73.02918	1.4
80.24210	1.7
119.05014	1.8
132.02158	8.5
134.03735	14.5
145.02905	1.9
149.06126	3.5
160.01657	73.9
161.02426	6.4
175.04002	100.0
179.03406	2.8
180.15288	1.5
191.07140	2.3
193.05055	30.5
195.92944	1.6
231.42258	1.6
370.74777	1.6
383.38312	1.7
716.26111	2.1
735.21429	9.9
851.23438	1.8
911.26166	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.6335
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11263	0.1
71.01374	0.6
76.42382	0.1
101.63604	0.1
101.80941	0.1
121.06540	0.2
137.09720	18.9
148.13231	0.1
149.09741	0.5
151.11205	0.2
167.14418	0.7
193.12354	0.6
208.34508	0.1
221.11804	0.5
239.12895	100.0
292.23230	0.1
381.36960	0.1
677.49976	0.2
751.18567	0.1
917.63263	4.3
926.30597	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	919.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71216	1.3
71.01373	3.5
73.02905	1.4
73.83672	1.6
83.01368	3.2
89.02451	2.2
101.02400	3.7
106.00925	1.7
109.96944	1.4
113.02456	2.7
122.02471	100.0
125.02426	3.2
136.04097	5.9
143.03543	1.8
149.02412	2.9
161.04535	3.5
162.01959	2.1
164.04770	14.1
175.00284	2.0
179.07149	3.1
190.02748	18.4
193.05145	1.5
195.16978	1.3
205.05066	17.4
208.03758	14.1
213.81371	1.7
219.64613	1.4
223.06139	26.6
232.03625	1.6
265.07285	2.3
285.09894	1.6
299.50082	1.5
343.89203	2.0
442.83859	1.7
572.16113	7.2
634.31030	2.0
695.19244	17.5
796.22937	5.5
919.24719	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	923.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49611	0.4
72.93340	0.3
103.86711	0.4
117.03465	9.0
118.04261	3.3
119.05021	56.6
121.02930	4.2
122.03731	0.8
123.04502	1.0
132.05811	1.5
133.02943	1.8
134.03685	0.6
145.02959	35.7
145.06593	0.9
149.02432	2.2
150.03230	20.9
151.00420	0.5
151.03983	1.7
162.03252	1.7
163.04012	52.0
164.04750	0.9
165.05576	27.3
166.02693	2.3
176.04826	0.4
177.01955	0.5
177.05608	0.9
179.07152	0.5
180.04333	3.2
181.05074	3.3
192.04401	1.9
194.05821	1.8
195.06665	3.2
207.06612	0.6
209.08214	0.7
314.18546	0.5
327.64264	0.4
353.10648	0.7
441.95242	0.5
476.20261	0.5
567.18964	5.7
726.23041	3.3
727.24152	5.4
759.28125	0.7
777.27545	2.8
875.28650	0.6
923.31403	100.0
924.31848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52622	2.0
101.02450	6.6
113.02467	2.4
122.02452	2.4
148.04068	3.6
160.04047	83.1
161.04660	2.8
162.01967	11.2
162.05618	55.5
186.05650	3.1
188.03560	18.3
202.05128	2.6
204.02995	3.7
206.02667	4.3
206.04587	82.8
230.04478	2.5
248.05704	16.9
315.85703	2.2
379.03513	2.0
426.41101	2.4
530.15289	3.7
759.05084	2.4
761.20728	37.9
887.70483	2.7
906.22266	3.4
924.23206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3289
Annotation	5,5':15',5'-terporphine
Peak:m/z	Relative Intensity
65.61978	0.8
78.46918	1.1
117.03448	5.6
118.04064	1.1
119.05008	79.1
120.05366	2.5
121.02923	1.9
122.06245	1.1
123.04485	1.5
134.03831	1.1
136.01646	1.6
144.98306	1.2
145.02946	29.7
146.03455	1.2
149.02469	2.3
150.03217	26.9
151.03952	5.6
152.96965	1.0
163.03993	71.1
164.04489	5.6
165.05548	21.6
166.05969	1.1
177.05496	2.2
179.07187	2.0
180.04375	2.4
207.06596	1.5
212.03535	1.1
281.99744	1.1
298.08344	1.7
309.07639	1.6
311.09311	1.9
322.08444	1.4
323.09268	10.8
324.09988	5.3
338.11615	5.1
339.08707	37.1
339.12448	2.1
340.09460	1.9
354.11188	13.1
355.12000	1.3
369.13412	9.1
491.84827	1.4
623.21362	2.0
729.25427	4.1
743.26654	4.6
783.26709	4.5
806.83862	1.5
877.30603	11.2
895.31952	4.3
907.31238	19.9
925.32825	100.0
926.33783	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	929.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
92.18398	1.8
132.19470	1.0
135.81851	1.1
159.01472	100.0
160.01617	12.1
161.01199	12.3
201.02550	54.2
202.02773	7.0
203.02408	6.0
206.84364	1.1
211.29305	1.2
259.01639	2.2
265.55112	1.1
283.01553	1.2
301.02673	70.5
302.02805	21.3
303.02460	23.2
345.03406	1.5
351.83954	1.2
359.01846	2.4
361.01749	1.6
401.02557	1.6
443.03787	47.6
444.03931	21.6
445.03738	38.2
485.05310	1.8
487.04886	1.5
851.02930	2.1
964.19196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	0.9
113.02424	1.4
116.50198	0.9
121.40842	0.9
134.03766	11.0
147.04472	1.2
149.02417	7.2
149.06047	1.6
150.03220	5.4
153.05574	1.1
160.01672	11.1
164.04814	16.9
165.05568	6.7
169.30183	0.9
173.53502	0.9
175.00391	14.2
175.03999	43.4
179.03595	1.0
179.07132	2.1
181.90851	0.9
190.02728	100.0
191.03409	3.8
193.03714	1.0
193.05115	15.8
205.05075	91.0
208.03786	7.0
219.83405	1.0
223.06117	18.4
228.42828	0.8
235.06067	3.8
313.10736	1.9
375.50021	1.0
396.98419	1.0
499.14609	9.3
613.81598	0.9
634.52972	1.1
705.20264	14.7
715.26550	1.2
723.21582	29.7
769.70972	1.0
875.36511	1.0
899.33472	1.8
911.34857	3.8
929.26953	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	931.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
87.20935	0.4
101.02393	0.4
101.06060	0.5
119.47371	0.5
120.08313	0.5
131.14474	0.4
137.02303	0.5
137.70441	0.5
144.47153	0.4
150.91577	0.4
160.04005	0.5
162.01936	2.0
187.81873	0.5
196.11708	0.5
298.04965	0.6
312.06421	1.8
327.04977	2.7
339.05023	6.0
341.06610	2.0
348.40970	0.5
350.07260	0.6
351.04828	0.6
351.12909	0.8
353.06577	0.6
357.06143	1.0
369.06140	47.1
371.07846	0.7
381.06277	3.6
383.07614	0.8
399.07227	39.6
411.07077	6.1
423.07416	2.1
429.08240	11.7
441.08264	2.7
449.07193	0.5
453.08368	2.2
459.09198	1.0
469.00525	0.5
471.09363	3.2
489.10406	10.8
512.80591	0.5
519.11456	1.9
579.13562	100.0
833.77686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.242
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30788	0.9
71.01394	1.1
72.19316	1.2
75.52125	0.9
91.81248	1.1
93.03433	35.5
113.02478	2.0
121.02919	6.2
122.02436	2.6
137.02426	100.0
139.50139	1.2
162.01949	22.8
182.22983	1.1
182.69022	1.0
215.66701	1.2
249.06195	1.4
341.08652	2.1
341.88580	1.1
371.09912	6.0
513.71088	1.1
547.16522	1.9
591.14850	5.0
618.38428	1.1
631.59406	1.3
933.24146	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	933.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53481	1.0
71.01366	9.0
72.99320	1.3
74.56208	0.8
75.00866	6.1
80.22185	1.0
85.02930	12.0
87.00861	4.8
88.26158	1.0
89.01933	0.9
89.02412	8.3
91.05511	7.2
95.01350	4.4
99.00869	5.1
101.02460	1.5
103.00355	1.5
106.56525	1.0
113.02426	34.4
117.01966	2.0
117.03434	1.1
118.32249	1.1
128.40126	1.1
129.01883	1.3
131.03481	1.5
134.08635	1.0
137.02455	3.8
137.89093	0.9
143.92804	1.0
157.01469	1.1
162.01950	1.7
205.05148	1.9
205.07097	1.4
207.04956	1.0
249.06149	8.6
267.04285	1.7
267.07217	70.4
385.11389	100.0
405.71490	1.2
419.70157	1.1
543.84460	1.1
547.16559	1.7
741.49207	1.1
933.24677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.638
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14684	0.6
69.19590	0.7
76.41717	0.6
97.06573	1.0
125.09695	66.8
130.08751	1.0
131.53157	0.7
160.54501	0.7
169.08707	4.4
181.05109	0.9
187.09740	100.0
189.45045	0.7
225.16124	1.5
261.13412	88.4
287.15533	0.7
338.24060	0.9
382.09171	0.8
408.51019	0.8
677.49573	24.5
939.34259	0.8
939.63489	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	939.6422
Annotation	Unknow
Peak:m/z	Relative Intensity
103.63470	0.1
112.07668	0.3
118.13398	0.1
120.31718	0.1
129.10349	0.2
130.08731	0.5
145.94011	0.1
154.34100	0.1
158.90941	0.1
174.61440	0.1
175.04024	0.1
207.15010	0.3
225.16083	1.4
321.71548	0.1
337.26178	0.1
337.78009	0.1
338.24554	0.6
440.87286	0.1
450.34476	0.2
451.32730	0.4
483.48001	0.1
564.41681	0.1
578.94763	0.1
694.26459	0.1
777.21552	0.1
848.14282	0.1
885.65283	0.3
903.66724	0.9
939.64209	100.0
940.63898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.227
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	5.1
73.02932	6.3
85.02934	3.0
86.97418	0.8
87.00870	1.8
89.02444	1.0
95.01379	1.1
97.02929	1.1
99.00895	1.2
101.02451	7.2
101.43954	0.7
106.02934	0.9
113.02446	3.5
125.02447	4.6
132.04561	1.0
134.02498	7.0
143.03494	4.5
144.04543	3.8
148.04044	3.8
150.05553	1.3
159.03244	3.9
160.04031	84.9
161.01137	1.1
161.04749	7.9
162.01967	42.2
162.05597	73.6
163.02440	0.8
174.05638	1.1
175.02756	1.1
176.03539	4.0
186.01932	0.9
186.05640	1.4
188.03529	8.4
201.04472	0.9
202.05177	1.9
204.02995	10.2
204.06645	1.4
206.04587	100.0
221.06714	0.8
222.04088	1.3
228.98407	0.8
230.04500	1.2
245.86589	0.9
246.04083	2.9
248.05623	7.2
263.75012	0.7
282.51205	0.9
290.06586	0.9
306.09781	1.1
350.08948	3.2
410.11050	1.4
512.14148	4.2
530.15411	3.5
549.35681	0.9
554.15247	1.7
572.16034	6.8
614.17255	11.9
735.18921	1.1
759.19324	1.0
777.19995	34.5
921.75439	0.8
922.22168	1.4
940.22693	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	949.6696
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89153	0.2
74.99080	0.3
83.29595	0.2
86.40379	0.2
95.04998	1.3
100.74646	0.2
112.07662	9.7
113.06070	3.6
128.36493	0.2
129.10307	5.1
130.08711	14.5
137.07253	0.3
143.12337	0.2
148.02083	0.2
151.97610	0.2
162.01976	0.2
180.10680	0.2
197.16524	0.3
207.14993	5.2
208.13440	2.0
224.17650	3.6
225.16054	34.0
226.16464	0.3
242.18672	0.4
320.23441	3.1
337.26083	4.4
338.24469	13.3
401.13461	0.2
433.31845	2.7
450.34470	4.5
451.32901	7.6
546.40344	2.8
563.42645	2.6
564.41205	4.0
659.48138	1.4
676.51489	1.5
677.49683	1.8
772.56714	0.8
789.59778	0.9
885.65436	4.7
903.66443	100.0
904.66669	3.8
906.67053	1.8
949.66907	47.0
950.66956	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	25.4
73.02938	7.5
75.00862	4.8
83.01390	5.0
85.02949	13.8
88.65897	0.8
89.02438	15.2
89.06099	1.1
97.02953	2.1
99.00877	4.2
101.02438	40.1
113.02442	18.8
119.03460	5.9
124.01694	1.0
125.02447	6.4
143.03479	4.3
151.92720	1.1
159.02980	3.6
161.04550	32.8
179.05621	3.3
215.44511	0.9
251.11389	58.9
300.97491	0.8
341.10312	0.9
374.63156	1.0
395.15558	1.7
413.16660	100.0
455.17740	9.1
495.21011	1.7
497.18820	61.8
500.91312	1.0
521.19037	1.4
539.19513	1.6
614.86096	1.3
935.36060	1.3
953.37427	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	953.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
76.73248	0.0
78.95899	5.4
80.11706	0.0
122.00119	0.3
122.98538	0.1
125.97861	0.0
134.98524	0.1
140.01178	4.2
152.99588	1.3
166.02750	0.2
196.03802	10.7
214.04871	2.1
261.22223	0.5
279.23291	100.0
280.23639	0.4
476.27835	73.2
477.27875	0.3
786.44543	0.1
851.25507	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	956.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81787	0.2
71.01363	0.6
73.02930	0.5
75.58039	0.2
78.03500	0.3
85.02954	0.3
89.02464	0.3
91.60773	0.3
95.48480	0.3
101.02415	2.5
106.02960	2.1
108.04552	0.3
113.02429	0.6
123.16531	0.2
125.02427	0.6
127.27969	0.3
134.02467	7.2
143.03519	0.4
150.05574	3.7
160.04033	14.5
161.01195	1.8
162.01961	100.0
168.07153	0.3
178.05084	1.3
186.01981	1.2
202.05119	0.4
203.05679	0.2
204.03004	6.4
204.52148	0.2
212.53870	0.2
222.04070	10.1
227.96625	0.2
246.04054	1.1
264.05118	1.1
276.05188	0.3
278.51395	0.3
294.06201	2.6
298.25970	0.3
305.08920	0.3
309.83536	0.3
324.07181	3.2
348.07425	0.4
366.08267	1.2
384.09418	7.4
408.09338	0.4
426.10602	0.4
468.11392	1.9
570.14648	0.5
585.06897	0.3
589.13013	0.3
630.16290	0.6
673.15173	0.6
691.17023	0.6
733.17200	1.7
751.18048	0.5
793.19348	4.2
938.19543	0.4
956.22107	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
98.59846	2.0
117.03463	11.9
119.05014	53.7
123.04527	3.0
145.02966	44.1
149.02454	3.1
150.03207	30.5
151.03938	4.3
163.03989	48.7
164.04895	3.2
165.05557	37.9
166.02657	3.0
181.05081	10.3
189.63103	2.3
193.05048	2.7
195.06625	8.5
210.37189	2.3
320.00699	2.6
777.28357	16.6
881.47119	3.1
925.32642	3.1
955.34607	3.5
973.34937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.626
Annotation	Unknow
Peak:m/z	Relative Intensity
72.80182	0.3
78.95895	1.6
80.64303	0.3
96.73965	0.3
140.01202	0.6
169.61877	0.3
175.33034	0.4
196.03845	0.4
214.04881	2.1
255.23343	0.5
281.24869	100.0
282.25201	1.9
431.28787	0.3
449.26782	0.5
452.27936	0.5
478.29431	52.0
479.29108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.6804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44125	1.0
72.99294	3.6
75.00864	100.0
79.21246	0.9
111.04575	1.0
112.07651	4.0
129.10347	1.1
130.08734	5.4
141.40797	0.9
146.39964	1.0
150.64201	0.9
175.03865	1.0
189.72600	1.0
207.14941	1.3
224.17657	1.5
225.16043	11.1
337.26254	4.8
338.24561	4.8
365.68127	1.0
450.34460	1.2
450.91241	1.1
451.33072	2.1
564.41437	1.5
676.51288	1.1
883.63184	1.3
901.64899	3.8
903.48090	1.3
903.66412	45.8
919.65881	41.2
979.68152	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	989.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	6.4
77.95613	1.7
85.02946	2.0
85.39783	1.7
89.02430	3.2
101.02410	7.1
109.02922	3.1
113.02413	3.2
118.05273	1.7
119.05015	1.8
125.02367	3.6
132.04471	2.4
143.03462	2.4
148.04025	2.8
160.04021	100.0
161.04547	8.4
162.01952	15.5
162.05569	24.6
188.03464	21.6
199.51917	1.7
204.03008	3.3
206.04559	61.8
241.42874	2.1
248.05573	3.7
251.11386	5.9
272.36459	2.1
497.18954	2.0
541.40009	2.2
706.61481	1.8
826.24158	90.8
895.56073	1.9
971.25671	17.5
989.26483	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	995.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	10.0
81.03471	1.2
83.01348	1.4
85.02961	1.9
87.00877	1.8
89.02431	9.3
92.18474	1.9
99.77560	1.0
101.02434	8.6
106.65118	0.9
107.18475	0.9
113.02449	4.5
116.96481	1.2
118.17091	1.1
119.03478	1.4
122.30640	0.9
124.12598	1.1
125.02411	5.3
127.66747	1.0
143.03539	1.3
161.04500	1.3
235.08118	2.4
277.21698	100.0
322.69803	1.0
379.12354	12.4
397.13367	18.1
415.14398	1.4
592.98438	1.1
657.34869	23.1
675.35852	14.3
935.56738	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	995.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
72.56346	0.1
78.95898	5.7
79.09672	0.1
92.19018	0.1
96.88221	0.0
122.00108	0.2
134.98531	0.1
140.01181	4.5
140.80536	0.1
152.99562	1.1
166.02652	0.1
183.28412	0.1
196.03804	10.6
214.04875	2.2
255.23338	0.2
261.22247	0.5
279.23291	100.0
280.23700	0.7
326.18225	0.1
476.27835	73.8
477.28009	0.5
678.99213	0.1
995.61066	1.3
END